WorldWideScience

Sample records for cl mass spectra

  1. Raman spectra of the system TeCl4-SbCl5

    International Nuclear Information System (INIS)

    Brockner, W.; Demiray, A.F.

    1980-01-01

    Raman spectra of the solid and molten TeCl 4 . SbCl 5 addition compound and of some TeCl 4 -SbCl 5 mixtures have been recorded. Two modifications of the crystalline TeCl 4 -SbCl 5 compound have been found. The structure of the melt can be described by the equilibrium TeCl 3 + + SbCl 6 - reversible TeCl 4 + SbCl 5 lying on the left side. Mixtures with other stoichiometry contain the 1:1 adduct only and excess TeCl 4 or SbCl 5 , respectively. Such melts are built up by the ionic species TeCl 3 + and SbCl 6 - also and TeCl 4 or SbCl 5 according to stoichiometry. (author)

  2. CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4: Infrared spectra, radiative efficiencies, and global warming potentials

    International Nuclear Information System (INIS)

    Wallington, Timothy J.; Pivesso, Bruno Pasquini; Lira, Alane Moura; Anderson, James E.; Nielsen, Claus Jørgen; Andersen, Niels Højmark; Hodnebrog, Øivind

    2016-01-01

    Infrared spectra for the title compounds were measured experimentally in 700 Torr of air at 295 K and systematically modeled in B3LYP, M06-2X and MP2 calculations employing various basis sets. Calibrated infrared spectra over the wavenumber range 600–3500 cm"−"1 are reported and combined with literature data to provide spectra for use in experimental studies and radiative transfer calculations. Integrated absorption cross sections are (units of cm"−"1 molecule"−"1): CH_3Cl, 660–780 cm"−"1, (3.89±0.19)×10"−"1"8; CH_2Cl_2, 650–800 cm"−"1, (2.16±0.11)×10"−"1"7; CHCl_3, 720–810 cm"−"1, (4.08±0.20)×10"−"1"7; and CCl_4, 730–825 cm"−"1, (6.30±0.31)×10"−"1"7. CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4 have radiative efficiencies of 0.004, 0.028, 0.070, and 0.174 W m"−"2 ppb"−"1 and global warming potentials (100 year horizon) of 5, 8, 15, and 1775, respectively. Quantum chemistry calculations generally predict larger band intensities than the experimental values. The best agreement with experiments is obtained in MP2(Full) calculations employing basis sets of at least triple-zeta quality augmented by diffuse functions. The B3LYP functional is found ill-suited for calculating vibrational frequencies and infrared intensities of halocarbons. - Highlights: • Infrared spectra reported for CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4. • REs of CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4 are 0.004, 0.028, 0.070, and 0.174 W m"−"2 ppb"−"1, respectively. • GWPs of CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4 are 5, 8, 15, and 1775, respectively.

  3. Absorption spectra and Faraday effect in Cs2NaNdCl6 and Cs2NaPrCl6 crystals

    International Nuclear Information System (INIS)

    Ehdel'man, I.S.; Galanov, E.K.; Kokov, I.T.; Malakhovskij, A.V.; Anistratov, A.T.

    1985-01-01

    The paper is devoted to studying absorption spectra and the Faraday effect in Cs 2 NaNdCl 6 and Cs 2 NaPrCl 6 crystals. The absorption spectra and Faraday effect were measured at room temperature in the range of 9000-30000 cmsup(-1) (0.33-1.2 μm) in 0-10 kOe magnetic fields. The absorption spectra produced contain several groups of intense absorption bands resulted from intraconfiguration electron transitions in rare-earth cations. The Faraday spectra in the whole range studied for both crystals have the form of smoothly dipping curves when increasing wavelength. The form of these curves testifies to prevailing contribution of strong electron transitions lying in a nearer UV region to the Faraday effect

  4. Parametrization relating the fermionic mass spectra

    International Nuclear Information System (INIS)

    Kleppe, A.

    1993-01-01

    When parametrizing the fermionic mass spectra in terms of the unit matrix and a recursive matrix scrR 0 , which corresponds to an underlying scaling pattern in the mass spectra, each fermionic sector is characterized by three parameters: k, α, and R. Using the set of relations displayed by the parameters of the different sectors, it is possible to formulate a ''family Lagrangian'' which for each sector encompasses all the families. Relations between quark masses are furthermore deduced from these ''family Lagrangians.'' Using the relations between the parameters of the different charge sectors, it is also possible to ''derive'' the quark mass spectra from the (charged) leptonic mass spectrum

  5. Franck-Condon Simulations including Anharmonicity of the Ã(1)A''-X̃(1)A' Absorption and Single Vibronic Level Emission Spectra of HSiCl and DSiCl.

    Science.gov (United States)

    Mok, Daniel W K; Lee, Edmond P F; Chau, Foo-Tim; Dyke, John M

    2009-03-10

    RCCSD(T) and/or CASSCF/MRCI calculations have been carried out on the X̃(1)A' and Ã(1)A'' states of HSiCl employing basis sets of up to the aug-cc-pV5Z quality. Contributions from core correlation and extrapolation to the complete basis set limit were included in determining the computed equilibrium geometrical parameters and relative electronic energy of these two states of HSiCl. Franck-Condon factors which include allowance for anharmonicity and Duschinsky rotation between these two states of HSiCl and DSiCl were calculated employing RCCSD(T) and CASSCF/MRCI potential energy functions, and were used to simulate the Ã(1)A'' ← X̃(1)A' absorption and Ã(1)A'' → X̃(1)A' single vibronic level (SVL) emission spectra of HSiCl and DSiCl. Simulated absorption and experimental LIF spectra, and simulated and observed Ã(1)A''(0,0,0) → X̃(1)A' SVL emission spectra, of HSiCl and DSiCl are in very good agreement. However, agreement between simulated and observed Ã(1)A''(0,1,0) → X̃(1)A' and Ã(1)A''(0,2,1) → X̃(1)A' SVL emission spectra of DSiCl is not as good. Preliminary calculations on low-lying excited states of HSiCl suggest that vibronic interaction between low-lying vibrational levels of the Ã(1)A'' state and highly excited vibrational levels of the ã(3)A'' is possible. Such vibronic interaction may change the character of the low-lying vibrational levels of the Ã(1)A'' state, which would lead to perturbation in the SVL emission spectra from these vibrational levels.

  6. Scaling properties of the transverse mass spectra

    International Nuclear Information System (INIS)

    Schaffner-Bielich, J.

    2002-01-01

    Motivated from the formation of an initial state of gluon-saturated matter, we discuss scaling relations for the transverse mass spectra at BNL's relativistic heavy-ion collider (RHIC). We show on linear plots, that the transverse mass spectra for various hadrons can be described by an universal function in m t . The transverse mass spectra for different centralities can be rescaled into each other. Finally, we demonstrate that m t -scaling is also present in proton-antiproton collider data and compare it to m t -scaling at RHIC. (orig.)

  7. Resonance Raman Spectra of the Transient Cl2 and Br2 Radical Anions

    DEFF Research Database (Denmark)

    Wilbrandt, Robert Walter; Jensen, Niels-Henrik; Sillesen, Alfred Hegaard

    1984-01-01

    The resonance Raman spectra of the short-lived radical anions ClImage 2− and BrImage − in aqueous solution are reported. The observed wavenumbers of 279 cm−1 for ClImage − and 177 cm−1 for BrImage − are about 10% higher than those published for the corresponding species isolated in solid argon ma...

  8. High-level ab initio calculations on HGeCl and the equilibrium geometry of the A1A'' state derived from Franck-Condon analysis of the single-vibronic-level emission spectra of HGeCl and DGeCl.

    Science.gov (United States)

    Mok, Daniel K W; Chau, Foo-Tim; Lee, Edmond P F; Dyke, John M

    2010-02-01

    CCSD(T) and/or CASSCF/MRCI calculations have been carried out on the X(1)A' and A(1)A'' states of HGeCl. The fully relativistic effective core potential, ECP10MDF, and associated standard valence basis sets of up to the aug-cc-pV5Z quality were employed for Ge. Contributions from core correlation and extrapolation to the complete basis set limit were included in determining the computed equilibrium geometrical parameters and relative electronic energy of these two states of HGeCl. Based on the currently, most systematic CCSD(T) calculations performed in this study, the best theoretical geometrical parameters of the X(1)A' state are r(e)(HGe) = 1.580 +/- 0.001 A, theta(e) = 93.88 +/- 0.01 degrees and r(e)(GeCl) = 2.170 +/- 0.001 A. In addition, Franck-Condon factors including allowance for anharmonicity and Duschinsky rotation between these two states of HGeCl and DGeCl were calculated employing CCSD(T) and CASSCF/MRCI potential energy functions, and were used to simulate A(1)A'' --> X(1)A' SVL emission spectra of HGeCl and DGeCl. The iterative Franck-Condon analysis (IFCA) procedure was carried out to determine the equilibrium geometrical parameters of the A(1)A'' state of HGeCl by matching the simulated, and available experimental SVL emission spectra of HGeCl and DGeCl of Tackett et al., J Chem Phys 2006, 124, 124320, using the available, estimated experimental equilibrium (r(e)(z)) structure for the X(1)A' state, while varying the equilibrium geometrical parameters of the A(1)A'' state systematically. Employing the derived IFCA geometry of r(e)(HGe) = 1.590 A, r(e)(GeCl) = 2.155 A and theta(e)(HGeCl) = 112.7 degrees for the A(1)A'' state of HGeCl in the spectral simulation, the simulated absorption and SVL emission spectra of HGeCl and DGeCl agree very well with the available experimental LIF and SVL emission spectra, respectively. Copyright 2009 Wiley Periodicals, Inc.

  9. Optical contrast spectra studies for determining thickness of stage-1 graphene-FeCl{sub 3} intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    Han, Wen-Peng, E-mail: han-wenpeng@163.com, E-mail: yunze.long@163.com; Yan, Xu; Zhao, Hui [College of Physics, Qingdao University, Qingdao 266071 (China); Li, Qiao-Qiao; Lu, Yan [State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083 (China); Long, Yun-Ze, E-mail: han-wenpeng@163.com, E-mail: yunze.long@163.com [College of Physics, Qingdao University, Qingdao 266071 (China); Collaborative Innovation Center for Low-Dimensional Nanomaterials and Optoelectronic Devices, Qingdao University, Qingdao 266071 (China)

    2016-07-15

    Because of novel features in their structural, electronic, magnetic and optical properties, especially potential applications in nanoelectronics, the few-layer graphene intercalation compounds (FLGICs) have been intensively studied recently. In this work, the dielectric constant of the doped graphene of stage-1 FeCl{sub 3}-GIC is obtained by fitting the optical contrast spectra. And fully intercalated stage-1 FeCl{sub 3}-FLGICs were prepared by micromechanical cleavage method from graphite intercalation compounds (GICs) for the first time. Finally, we demonstrated that the thickness of stage-1 FeCl{sub 3}-GICs by micromechanical cleavage can be determined by optical contrast spectra. This method also can be used to other FLGICs, such as SbCl{sub 5}-FLGICs and AuCl{sub 5}-FLGICs, etc.

  10. Photoelectron and Auger-electron spectra of Cl{sub 3}SiSi(CH{sub 3}){sub 3} obtained by using monochromatized synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Nagaoka, Shin-ichi, E-mail: nagaoka@ehime-u.ac.jp [Department of Chemistry, Faculty of Science and Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan); Endo, Hikaru; Nagai, Kanae [Department of Chemistry, Faculty of Science and Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan); Takahashi, Osamu [Institute for Sustainable Sciences and Development, Hiroshima University, Higashi-Hiroshima 739-8511 (Japan); Tamenori, Yusuke [Synchrotron Radiation Research Institute/SPring-8, 1-1-1 Kouto, Sayo-cho, Sayo-gun 679-5198 (Japan); Suzuki, Isao H. [Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba 305-0801 (Japan); Advanced Institute of Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba 305-8568 (Japan)

    2014-08-15

    Highlights: • Various photo- and Auger-electron spectra of Cl{sub 3}SiSi(CH{sub 3}){sub 3} vapor were measured. • The measured spectra were interpreted with the aid of some calculations. • The spectra showed profiles close to those expected from SiCl{sub 4} and Si(CH{sub 3}){sub 4}. • These results were discussed in conjunction with site-specific fragmentation. - Abstract: A variety of photoelectron and Auger-electron spectra of 1,1,1-trimethyltrichlorodisilane vapor (Cl{sub 3}SiSi(CH{sub 3}){sub 3}) were measured by using monochromatized synchrotron radiation and a hemispherical electron energy analyzer. The measured spectra were interpreted with the aid of some calculations by means of the outer valence Green's function (OVGF) method or the density-functional-theory (DFT) method. Since Cl{sub 3}SiSi(CH{sub 3}){sub 3} consists of -SiCl{sub 3} and -Si(CH{sub 3}){sub 3} moieties, the experimental core-electron binding-energies were compared with those of tetrachlorosilane and tetramethylsilane (SiCl{sub 4} and Si(CH{sub 3}){sub 4}, respectively). This comparison showed that electronic properties of Cl{sub 3}SiSi(CH{sub 3}){sub 3} hold a close correlation with those of SiCl{sub 4} and Si(CH{sub 3}){sub 4}. Si:L{sub 23}VV, Cl:L{sub 23}VV and C:KVV Auger-electron spectra of Cl{sub 3}SiSi(CH{sub 3}){sub 3} also showed profiles close to those expected from the spectra of SiCl{sub 4} and Si(CH{sub 3}){sub 4}. The results obtained here were discussed in conjunction with electronic relaxation leading to site-specific fragmentation.

  11. Interpreting peptide mass spectra by VEMS

    DEFF Research Database (Denmark)

    Mathiesen, Rune; Lundsgaard, M.; Welinder, Karen G.

    2003-01-01

    the calculated and the experimental mass spectrum of the called peptide. The program package includes four accessory programs. VEMStrans creates protein databases in FASTA format from EST or cDNA sequence files. VEMSdata creates a virtual peptide database from FASTA files. VEMSdist displays the distribution......Most existing Mass Spectra (MS) analysis programs are automatic and provide limited opportunity for editing during the interpretation. Furthermore, they rely entirely on publicly available databases for interpretation. VEMS (Virtual Expert Mass Spectrometrist) is a program for interactive analysis...... of peptide MS/MS spectra imported in text file format. Peaks are annotated, the monoisotopic peaks retained, and the b-and y-ion series identified in an interactive manner. The called peptide sequence is searched against a local protein database for sequence identity and peptide mass. The report compares...

  12. 35Cl NQR spectra of complexes of tetrachlorostannane with substituted benzoyl chlorides

    International Nuclear Information System (INIS)

    Feshin, V.P.; Dogushin, G.V.; Lazarev, I.M.; Voronkov, M.G.; Feshina, E.V.

    1987-01-01

    35 Cl NQR spectra of mixtures of SnCl 4 with 2-, 3- and 4-XC 6 H 4 COCl were obtained. The electronic and steric structure of the complexes obtained was established. Their formation and structure depend on the nature of substituents X. Complexes with a trigonal-bipyramidal structure are formed with the participation of the carbonyl oxygen atom of the ligand as an electron-donor-center, and complexes with trans-octahedral structure, with the participation of the sulfur atom of the X = CH 3 S substituent

  13. Molecular dynamics study of structure and vibrational spectra at zwitterionoic lipid/aqueous KCl, NaCl, and CaCl2 solution interfaces

    Science.gov (United States)

    Ishiyama, Tatsuya; Shirai, Shinnosuke; Okumura, Tomoaki; Morita, Akihiro

    2018-06-01

    Molecular dynamics (MD) simulations of KCl, NaCl, and CaCl2 solution/dipalmytoylphosphatidylcholine lipid interfaces were performed to analyze heterodyne-detected vibrational sum frequency generation (HD-VSFG) spectra in relation to the interfacial water structure. The present MD simulation well reproduces the experimental spectra and elucidates a specific cation effect on the interfacial structure. The K+, Na+, and Ca2+ cation species penetrate in the lipid layer more than the anions in this order, due to the electrostatic interaction with negative polar groups of lipid, and the electric double layer between the cations and anions cancels the intrinsic orientation of water at the water/lipid interface. These mechanisms explain the HD-VSFG spectrum of the water/lipid interface and its spectral perturbation by adding the ions. The lipid monolayer reverses the order of surface preference of the cations at the solution/lipid interface from that at the solution/air interface.

  14. Laser ablation aerosol particle time-of-flight mass spectrometer (LAAPTOF): performance, reference spectra and classification of atmospheric samples

    Science.gov (United States)

    Shen, Xiaoli; Ramisetty, Ramakrishna; Mohr, Claudia; Huang, Wei; Leisner, Thomas; Saathoff, Harald

    2018-04-01

    The laser ablation aerosol particle time-of-flight mass spectrometer (LAAPTOF, AeroMegt GmbH) is able to identify the chemical composition and mixing state of individual aerosol particles, and thus is a tool for elucidating their impacts on human health, visibility, ecosystem, and climate. The overall detection efficiency (ODE) of the instrument we use was determined to range from ˜ (0.01 ± 0.01) to ˜ (4.23 ± 2.36) % for polystyrene latex (PSL) in the size range of 200 to 2000 nm, ˜ (0.44 ± 0.19) to ˜ (6.57 ± 2.38) % for ammonium nitrate (NH4NO3), and ˜ (0.14 ± 0.02) to ˜ (1.46 ± 0.08) % for sodium chloride (NaCl) particles in the size range of 300 to 1000 nm. Reference mass spectra of 32 different particle types relevant for atmospheric aerosol (e.g. pure compounds NH4NO3, K2SO4, NaCl, oxalic acid, pinic acid, and pinonic acid; internal mixtures of e.g. salts, secondary organic aerosol, and metallic core-organic shell particles; more complex particles such as soot and dust particles) were determined. Our results show that internally mixed aerosol particles can result in spectra with new clusters of ions, rather than simply a combination of the spectra from the single components. An exemplary 1-day ambient data set was analysed by both classical fuzzy clustering and a reference-spectra-based classification method. Resulting identified particle types were generally well correlated. We show how a combination of both methods can greatly improve the interpretation of single-particle data in field measurements.

  15. 35Cl, sup(79,81)Br NQR spectra of chalcogenide molybdenum (5) complexes

    International Nuclear Information System (INIS)

    Fokina, Z.A.; Kuznetsov, S.I.; Timoshchenko, N.I.; Kolesnichenko, V.L.; Bryukhova, E.V.; Semin, G.K.

    1984-01-01

    The NQR spectra of molybdenum thioselenohalogenides MoS 2 SeX 5 (X=Cl, Br) are studied. A high-frequency doublet and a low-frequency triplet are observed in both spectra, one of the lines in the latter being noticeably higher by frequency than two others. The NKR spectra structure, with accoUnt of data on thermography and IR-spectroscopy, points to the MoS 2 X 3 xSeX 2 strrcture where two halide atoms are bound with a chalcogen atom and three others with Mo, one of the three chalcogen atoms being in trans-position to SeX 2 . Essential splittings in low-frequency triplet take place at the expense of intrasphere effect of coordinated S 2 -2 and SeX 2 groups

  16. Automatic identification of mass spectra

    International Nuclear Information System (INIS)

    Drabloes, F.

    1992-01-01

    Several approaches to preprocessing and comparison of low resolution mass spectra have been evaluated by various test methods related to library search. It is shown that there is a clear correlation between the nature of any contamination of a spectrum, the basic principle of the transformation or distance measure, and the performance of the identification system. The identification of functionality from low resolution spectra has also been evaluated using several classification methods. It is shown that there is an upper limit to the success of this approach, but also that this can be improved significantly by using a very limited amount of additional information. 10 refs

  17. Laser ablation aerosol particle time-of-flight mass spectrometer (LAAPTOF: performance, reference spectra and classification of atmospheric samples

    Directory of Open Access Journals (Sweden)

    X. Shen

    2018-04-01

    Full Text Available The laser ablation aerosol particle time-of-flight mass spectrometer (LAAPTOF, AeroMegt GmbH is able to identify the chemical composition and mixing state of individual aerosol particles, and thus is a tool for elucidating their impacts on human health, visibility, ecosystem, and climate. The overall detection efficiency (ODE of the instrument we use was determined to range from  ∼  (0.01 ± 0.01 to  ∼  (4.23 ± 2.36 % for polystyrene latex (PSL in the size range of 200 to 2000 nm,  ∼  (0.44 ± 0.19 to  ∼  (6.57 ± 2.38 % for ammonium nitrate (NH4NO3, and  ∼  (0.14 ± 0.02 to  ∼  (1.46 ± 0.08 % for sodium chloride (NaCl particles in the size range of 300 to 1000 nm. Reference mass spectra of 32 different particle types relevant for atmospheric aerosol (e.g. pure compounds NH4NO3, K2SO4, NaCl, oxalic acid, pinic acid, and pinonic acid; internal mixtures of e.g. salts, secondary organic aerosol, and metallic core–organic shell particles; more complex particles such as soot and dust particles were determined. Our results show that internally mixed aerosol particles can result in spectra with new clusters of ions, rather than simply a combination of the spectra from the single components. An exemplary 1-day ambient data set was analysed by both classical fuzzy clustering and a reference-spectra-based classification method. Resulting identified particle types were generally well correlated. We show how a combination of both methods can greatly improve the interpretation of single-particle data in field measurements.

  18. Clustering and Filtering Tandem Mass Spectra Acquired in Data-Independent Mode

    Science.gov (United States)

    Pak, Huisong; Nikitin, Frederic; Gluck, Florent; Lisacek, Frederique; Scherl, Alexander; Muller, Markus

    2013-12-01

    Data-independent mass spectrometry activates all ion species isolated within a given mass-to-charge window ( m/z) regardless of their abundance. This acquisition strategy overcomes the traditional data-dependent ion selection boosting data reproducibility and sensitivity. However, several tandem mass (MS/MS) spectra of the same precursor ion are acquired during chromatographic elution resulting in large data redundancy. Also, the significant number of chimeric spectra and the absence of accurate precursor ion masses hamper peptide identification. Here, we describe an algorithm to preprocess data-independent MS/MS spectra by filtering out noise peaks and clustering the spectra according to both the chromatographic elution profiles and the spectral similarity. In addition, we developed an approach to estimate the m/z value of precursor ions from clustered MS/MS spectra in order to improve database search performance. Data acquired using a small 3 m/z units precursor mass window and multiple injections to cover a m/z range of 400-1400 was processed with our algorithm. It showed an improvement in the number of both peptide and protein identifications by 8 % while reducing the number of submitted spectra by 18 % and the number of peaks by 55 %. We conclude that our clustering method is a valid approach for data analysis of these data-independent fragmentation spectra. The software including the source code is available for the scientific community.

  19. Annotating and Interpreting Linear and Cyclic Peptide Tandem Mass Spectra.

    Science.gov (United States)

    Niedermeyer, Timo Horst Johannes

    2016-01-01

    Nonribosomal peptides often possess pronounced bioactivity, and thus, they are often interesting hit compounds in natural product-based drug discovery programs. Their mass spectrometric characterization is difficult due to the predominant occurrence of non-proteinogenic monomers and, especially in the case of cyclic peptides, the complex fragmentation patterns observed. This makes nonribosomal peptide tandem mass spectra annotation challenging and time-consuming. To meet this challenge, software tools for this task have been developed. In this chapter, the workflow for using the software mMass for the annotation of experimentally obtained peptide tandem mass spectra is described. mMass is freely available (http://www.mmass.org), open-source, and the most advanced and user-friendly software tool for this purpose. The software enables the analyst to concisely annotate and interpret tandem mass spectra of linear and cyclic peptides. Thus, it is highly useful for accelerating the structure confirmation and elucidation of cyclic as well as linear peptides and depsipeptides.

  20. Mass spectra of liquid crystals. III.Phenylpyrimidine derivatives

    NARCIS (Netherlands)

    Leclercq, P.A.; Bogaert, van den H.M.

    1991-01-01

    The 70 eV electron impact mass spectra of 34 1-phenyl-2,5-pyrimidine derivatives are presented. Based on the observed mass shifts by the various substituents, the nature of the main fragment ions is rationalized.

  1. Interpretation of Tandem Mass Spectrometry (MSMS) Spectra for Peptide Analysis

    DEFF Research Database (Denmark)

    Hjernø, Karin; Højrup, Peter

    2015-01-01

    The aim of this chapter is to give a short introduction to peptide analysis by mass spectrometry (MS) and interpretation of fragment mass spectra. Through examples and guidelines we demonstrate how to understand and validate search results and how to perform de novo sequencing based on the often...... very complex fragmentation pattern obtained by tandem mass spectrometry (also referred to as MSMS). The focus is on simple rules for interpretation of MSMS spectra of tryptic as well as non-tryptic peptides....

  2. INTRAMOLECULAR ISOTOPE EFFECTS IN HYDROCARBON MASS SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Stevenson, D. P.; Schachtschneider, J. H.

    1963-07-15

    Approximate calculations based on the quasi-equilibrium rate theory of the origin of mass spectra are shown to lead to an approximately correct magnitude for the intramolecular ( pi /sup -/) isotope effect on C--H bond dissociation probabilities of various deuterohydrocarbons. (auth)

  3. Production cross-sections for high mass particles and transverse momentum spectra

    International Nuclear Information System (INIS)

    Arnold, R.C.; Halzen, F.

    1977-06-01

    The concept of transverse-mass (msub(T)) scaling is examined. It is suggested that: (1) experimental data on pion transverse momentum (psub(T)) spectra provide a reliable guide to expectations for high mass particle production; (2) dimensional scaling, e.g. implied by quark-gluon dynamics, yields an estimate of msub(T) -4 spectra at ultra-high energies; however, stronger damping is expected at currently accessible energies; (3) values increase linearly with the produced particle mass. The results of msub(T) scaling are compared with estimates for high mass production in the context of the Drell-Yan model. (author)

  4. Peptide de novo sequencing of mixture tandem mass spectra

    DEFF Research Database (Denmark)

    Gorshkov, Vladimir; Hotta, Stéphanie Yuki Kolbeck; Braga, Thiago Verano

    2016-01-01

    they decrease the identification performance using database search engines. De novo sequencing approaches are expected to be even more sensitive to the reduction in mass spectrum quality resulting from peptide precursor co-isolation and thus prone to false identifications. The deconvolution approach matched...... complementary b-, y-ions to each precursor peptide mass, which allowed the creation of virtual spectra containing sequence specific fragment ions of each co-isolated peptide. Deconvolution processing resulted in equally efficient identification rates but increased the absolute number of correctly sequenced...... peptides. The improvement was in the range of 20–35% additional peptide identifications for a HeLa lysate sample. Some correct sequences were identified only using unprocessed spectra; however, the number of these was lower than those where improvement was obtained by mass spectral deconvolution. Tight...

  5. Determination of 36Cl/Cl ratio in ground water using the accelerator mass spectrometry technique

    International Nuclear Information System (INIS)

    Sharma, Suman; Deodhar, A.S.; Saravana Kumar, U.; Surendran, P.; Shrivastava, A.; Gupta, A.K.; Nair, J.P.; Yadav, M.L.; Hemalatha, M.; Sparrow, H.; Mahata, K.; Thomas, R.G.; Bhagwat, P.V.; Kailas, S.; Kale, R.M.

    2009-01-01

    The Accelerator Mass Spectrometry (AMS) programme using the 14 MV Pelletron Accelerator at Mumbai has been initiated with major emphasis on the determination of 36 Cl in water samples, of interest to hydrology and environment. In order to carry out the AMS measurement, a beam chopper to cut down beam intensity by a factor of 20 has been developed and commissioned. A multi-anode gas -si detector has been built to separate 36 Cl from the interfering 36 S. A new TPS system has been procured to operate the machine in the GVM mode. Standard and blank samples from Prime lab, Purdue have been employed in these measurements to standardise the technique for 36 Cl/Cl ratio determination. The detector was calibrated using the stable 35,37 Cl ions. The background 36 Cl in the system has been measured using the blank sample from Purdue and it was estimated that the ratio of 36 Cl/Cl was of the order of 10 -13 in the present setup. Ground water samples collected from South India were converted to AgCl and put in the SNICS ion source for the AMS measurements. These ground water samples, with 14 C content estimated to be in the range of 1 to 4 pMC indicate that the samples may be more than 35,000 years old. Using the AMS technique we have determined the 36 Cl/Cl ratio values for these ground water samples. They are found to range between 2 to 5 x 10 -12 . Additional measurements are planned to determine the age of the water samples and to understand the reasons for the observed high values of 36 Cl in these samples. (author)

  6. Automated data processing of high-resolution mass spectra

    DEFF Research Database (Denmark)

    Hansen, Michael Adsetts Edberg; Smedsgaard, Jørn

    of the massive amounts of data. We present an automated data processing method to quantitatively compare large numbers of spectra from the analysis of complex mixtures, exploiting the full quality of high-resolution mass spectra. By projecting all detected ions - within defined intervals on both the time...... infusion of crude extracts into the source taking advantage of the high sensitivity, high mass resolution and accuracy and the limited fragmentation. Unfortunately, there has not been a comparable development in the data processing techniques to fully exploit gain in high resolution and accuracy...... infusion analyses of crude extract to find the relationship between species from several species terverticillate Penicillium, and also that the ions responsible for the segregation can be identified. Furthermore the process can automate the process of detecting unique species and unique metabolites....

  7. Electronic structure, photoemission spectra, and vacuum-ultraviolet optical spectra of CsPbCl3 and CsPbBr3

    Science.gov (United States)

    Heidrich, K.; Schäfer, W.; Schreiber, M.; Söchtig, J.; Trendel, G.; Treusch, J.; Grandke, T.; Stolz, H. J.

    1981-11-01

    Optical spectra of CsPbCl3 and CsPbBr3 have been measured in the range from 2 to 10 eV and have been combined with ultraviolet-photoemission-spectroscopy (UPS)-measurements at 21.1 and 40.8 eV. A quantitative band calculation is presented, which takes into account anion-anion interaction as well as electronic states of the Cs+ ion. The prominent features of earlier band models and measurements are reestablished through our measurements and calculations, namely that the valence band consists of anionic p functions and Pb 6s functions, the lowest conduction band being Pb 6p type, and the lowest gap occuring at the R point of the Brillouin zone. Inclusion of a further (Cs 6s-type) conduction band, however, is necessary to bring the calculated joint density of states into agreement with vacuum-ultraviolet optical spectra. The calculated densities of states of the valence bands are in quantitative agreement with those deduced from our UPS measurements.

  8. Jet mass spectra in Higgs+one jet at NNLL

    International Nuclear Information System (INIS)

    Jouttenus, Teppo T.; Stewart, Iain W.; Waalewijn, Wouter J.

    2013-02-01

    The invariant mass of a jet is a benchmark variable describing the structure of jets at the LHC. We calculate the jet mass spectrum for Higgs plus one jet at the LHC at next-to-next-to-leading logarithmic (NNLL) order using a factorization formula. At this order, the cross section becomes sensitive to perturbation theory at the soft m 2 jet /p jet T scale. Our calculation is exclusive and uses the 1-jettiness global event shape to implement a veto on additional jets. The dominant dependence on the jet veto is removed by normalizing the spectrum, leaving residual dependence from non-global logarithms depending on the ratio of the jet mass and jet veto variables. For our exclusive jet cross section these non-global logarithms are parametrically smaller than in the inclusive case, allowing us to obtain a complete NNLL result. Results for the dependence of the jet mass spectrum on the kinematics, jet algorithm, and jet size R are given. Using individual partonic channels we illustrate the difference between the jet mass spectra for quark and gluon jets. We also study the effect of hadronization and underlying event on the jet mass in Pythia. To highlight the similarity of inclusive and exclusive jet mass spectra, a comparison to LHC data is presented.

  9. 36Cl accelerator mass spectrometry with a bespoke instrument

    International Nuclear Information System (INIS)

    Wilcken, K.M.; Freeman, S.P.H.T.; Schnabel, C.; Binnie, S.A.; Xu, S.; Phillips, R.J.

    2013-01-01

    Cosmogenic 36 Cl analysis by accelerator mass spectrometry (AMS) is a valuable environmental and geological sciences research tool. Overcoming the stable nuclide 36 S isobar interfering with measurement is challenging, however. Traditionally this has required large accelerators, but following recent technical advances it is now possible with ∼30 MeV ion energies. Consequently 5 MV or even smaller modern bespoke spectrometers are now 36 Cl-capable, increasing accessibility and promoting wider and more varied 36 Cl use. However, the technical ability to identify 36 Cl ions is quite distinct from demonstrated high-performance AMS. Such is the theme of this paper. We present a systematic analysis of the accurate measurement of sample radioisotope relative to the stable chlorine, the normalisation of the measured ratio and correction for remaining 36 S interference, all combined with the use of stable-isotope dilution to determine sample Cl concentration to begin with. We conclude by showing that repeated analyses support our claims for routine 3% 36 Cl-AMS data. Accordingly, the modest SUERC spectrometer well competes with the performance of larger longer-established instruments, and the results may be quite generic for modern bespoke instruments.

  10. Jet mass spectra in Higgs+one jet at NNLL

    Energy Technology Data Exchange (ETDEWEB)

    Jouttenus, Teppo T.; Stewart, Iain W. [Massachusetts Institute of Technology, Cambridge, MA (United States). Center for Theoretical Physics; Tackmann, Frank J. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Waalewijn, Wouter J. [California Univ., San Diego, La Jolla, CA (United States). Dept. of Physics

    2013-02-15

    The invariant mass of a jet is a benchmark variable describing the structure of jets at the LHC. We calculate the jet mass spectrum for Higgs plus one jet at the LHC at next-to-next-to-leading logarithmic (NNLL) order using a factorization formula. At this order, the cross section becomes sensitive to perturbation theory at the soft m{sup 2}{sub jet}/p{sup jet}{sub T} scale. Our calculation is exclusive and uses the 1-jettiness global event shape to implement a veto on additional jets. The dominant dependence on the jet veto is removed by normalizing the spectrum, leaving residual dependence from non-global logarithms depending on the ratio of the jet mass and jet veto variables. For our exclusive jet cross section these non-global logarithms are parametrically smaller than in the inclusive case, allowing us to obtain a complete NNLL result. Results for the dependence of the jet mass spectrum on the kinematics, jet algorithm, and jet size R are given. Using individual partonic channels we illustrate the difference between the jet mass spectra for quark and gluon jets. We also study the effect of hadronization and underlying event on the jet mass in Pythia. To highlight the similarity of inclusive and exclusive jet mass spectra, a comparison to LHC data is presented.

  11. Maximum entropy decomposition of quadrupole mass spectra

    International Nuclear Information System (INIS)

    Toussaint, U. von; Dose, V.; Golan, A.

    2004-01-01

    We present an information-theoretic method called generalized maximum entropy (GME) for decomposing mass spectra of gas mixtures from noisy measurements. In this GME approach to the noisy, underdetermined inverse problem, the joint entropies of concentration, cracking, and noise probabilities are maximized subject to the measured data. This provides a robust estimation for the unknown cracking patterns and the concentrations of the contributing molecules. The method is applied to mass spectroscopic data of hydrocarbons, and the estimates are compared with those received from a Bayesian approach. We show that the GME method is efficient and is computationally fast

  12. Optimization of search algorithms for a mass spectra library

    International Nuclear Information System (INIS)

    Domokos, L.; Henneberg, D.; Weimann, B.

    1983-01-01

    The SISCOM mass spectra library search is mainly an interpretative system producing a ''hit list'' of similar spectra based on six comparison factors. This paper deals with extension of the system; the aim is exact identification (retrieval) of those reference spectra in the SISCOM hit list that correspond to the unknown compounds or components of the mixture. Thus, instead of a similarity measure, a decision (retrieval) function is needed to establish the identity of reference and unknown compounds by comparison of their spectra. To facilitate estimation of the weightings of the different variables in the retrieval function, pattern recognition algorithms were applied. Numerous statistical evaluations of three different library collections were made to check the quality of data bases and to derive appropriate variables for the retrieval function. (Auth.)

  13. Mass defect of 37Cl(t, p)39Cl: Coulomb displacement energy of the T=5/2, Jsup(π)=3+/2 states in 39Cl-39Ar

    International Nuclear Information System (INIS)

    Antony, M.S.; Britz, J.; Bueb, J.B.; Pape, A.

    1984-01-01

    From the Q-value (5701.9+-2.5)keV of the reaction 37 Cl(t, p) 39 Cl, the ground-state mass defect of 39 Cl is found to be (-29802.8+-2.5)keV, an improvement upon the existing value of (-29803+-18)keV. The Coulomb displacement energy of the mirror nuclei 39 Cl- 39 Ar for T=5/2, Jsup(π)=3 + /2 is found to be (6422.1+-10.6)keV. The r 0 parameter of the charge radius is approximately 1.32 fm for A=39

  14. Mass Spectra Analyses of Amides and Amide Dimers of Steviol, Isosteviol, and Steviolbioside

    Directory of Open Access Journals (Sweden)

    Lin-Wen Lee

    2012-01-01

    Full Text Available The mass spectra of a series of stevioside analogues including the amide and dimer compounds of steviol, isosteviol, and steviolbioside were examined. Positive ion mass spectral fragmentation of new steviol, isosteviol, and steviolbioside amides and the amide dimers are reported and discussed. The techniques included their synthesis procedures, fast-atom bombardment (FAB, and LC/MS/MS mass spectra. Intense [M+H]+ and [M+Na]+ ion peaks were observed on the FAB and ESI spectra. LC/MS/MS also yielded ES+ and ES− ion peaks that fairly agreed with the results of the FAB and ESI studies. Mass spectral analysis of compounds 4p-q, 5a-g, 6, and 7 revealed the different cleavage pathway patterns that can help in identifying the structures of steviolbioside and its amide derivatives.

  15. Life-time resolved emission spectra in CdCl2 crystals

    International Nuclear Information System (INIS)

    Kawabata, S.; Nakagawa, H.; Kitaura, M.

    2005-01-01

    The emission spectrum of CdCl 2 is composed of ultraviolet (UV) and yellow (Y) bands peaking at 3.70 and 2.30 eV, respectively. In order to determine the initial states of the Y-luminescence, decay curves of the Y-emission were measured at 8K by varying emission energy in the range from 1.64 eV to 3.13 eV. The observed decay curves are composed of two or three exponential components. The values of lifetime for them were 900, 460 and 60 μs. The emission spectrum for each decay component, i.e., life-time resolved emission spectrum, was analyzed by the observed decay curves. The emission spectrum for the component of 460 μs lifetime exhibits a dominant band at 2.30 eV and a satellite band at 3.03 eV. The emission spectrum for the component of 60 μs lifetime is reproduced by the three Gaussian bands peaking at 2.21, 2.65 and 2.87 eV. For the component of 900 μs lifetime, only a single band appears at 1.73 eV. The origin of the emission bands in life-time resolved emission spectra is briefly discussed, and the initial states of Y-luminescence are explained by the excited states of a [Cd 2+ Cl - 6 ] 4- complex molecular ion. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Ion source memory in {sup 36}Cl accelerator mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Pavetich, Stefan; Akhmadaliev, Shavkat; Merchel, Silke; Rugel, Georg [HZDR, Dresden (Germany); Arnold, Maurice; Aumaitre, Georges; Bourles, Didier; Martschini, Martin [ASTER, Aix-en-Provence (France); Buchriegler, Josef; Golser, Robin; Keddadouche, Karim; Steier, Peter [VERA, Vienna (Austria)

    2013-07-01

    Since the DREAMS (Dresden Accelerator Mass Spectrometry) facility went operational in 2011, constant effort was put into enabling routine measurements of long-lived radionuclides as {sup 10}Be, {sup 26}Al and {sup 41}Ca. For precise AMS-measurements of the volatile element Cl the key issue is the minimization of the long term memory effect. For this purpose one of the two original HVE sources was mechanically modified, allowing the usage of bigger cathodes with individual target apertures. Additionally a more open geometry was used to improve the vacuum level. To evaluate this improvement in comparison to other up-to-date ion sources, a small inter-laboratory comparison had been initiated. The long-term memory effect in the Cs sputter ion sources of the AMS facilities VERA, ASTER and DREAMS had been investigated by running samples of natural {sup 35}Cl/{sup 37}Cl-ratio and samples containing highly enriched {sup 35}Cl({sup 35}Cl/{sup 37}Cl > 500). Primary goals of the research are the time constants of the recovery from the contaminated sample ratio to the initial ratio of the sample and the level of the long-term memory effect in the sources.

  17. Cl K-edge XANES spectra of atmospheric rust on Fe, Fe-Cr and Fe-Ni alloys exposed to saline environment

    International Nuclear Information System (INIS)

    Konishi, Hiroyuki; Mizuki, Jun'ichiro; Yamashita, Masato; Uchida, Hitoshi

    2004-01-01

    Cl K-edge XANES measurements of atmospheric corrosion products (rust) formed on Fe, Fe-Ni and Fe-Cr alloys in chloride pollution have been performed using synchrotron radiation in order to clarify roles of anticorrosive alloying elements and of Cl in the corrosion resistance of weathering steel. The spectra of binary alloys show a shoulder structure near the absorption edge. The intensity of the shoulder peak depends on the kind and amount of the alloying element, whereas the energy position is invariant. This indicates that Cl is not combined directly with alloying elements in the rust. (author)

  18. Heavy meson mass spectra by general relativistic methods

    International Nuclear Information System (INIS)

    Italiano, A.; Lattuada, M.; Maccarrone, G.D.; Recami, E.; Riggi, F.; Vinciguerra, D.

    1984-01-01

    By applying the classical methods of general relativity to elementary particles one can get, in a natural way, the observed confinement of their constituents, avoiding any recourse to phenome-nological models such as bag model and allowing the deduction of the heavy meson (i.e. charmonium (J/psi) and bottomium (UPSILON)) mass spectra

  19. Raman spectra of Pm2O3, PmF3, PmCl3, PmBr3 and PmI3

    International Nuclear Information System (INIS)

    Wilmarth, W.R.; Peterson, J.R.

    1988-01-01

    Raman spectral data are presented for the sesquioxide and the trihalides (F, Cl, Br and I) of promethium. The Raman spectra of these lanthanide compounds are reported for the first time and are compared with those of the homologous lanthanide compounds. Tentative symmetry assignments have been made for the observed Raman-active bands based on factor group analysis of their respective crystal structures and comparisons with the assigned Raman spectra of other lanthanide compounds. The characteristic band patterns of the Raman phonon spectra have been found to be very useful in determining the crystal structure of the respective promethium compounds. (author)

  20. MS2Analyzer: A Software for Small Molecule Substructure Annotations from Accurate Tandem Mass Spectra

    Science.gov (United States)

    2015-01-01

    Systematic analysis and interpretation of the large number of tandem mass spectra (MS/MS) obtained in metabolomics experiments is a bottleneck in discovery-driven research. MS/MS mass spectral libraries are small compared to all known small molecule structures and are often not freely available. MS2Analyzer was therefore developed to enable user-defined searches of thousands of spectra for mass spectral features such as neutral losses, m/z differences, and product and precursor ions from MS/MS spectra in MSP/MGF files. The software is freely available at http://fiehnlab.ucdavis.edu/projects/MS2Analyzer/. As the reference query set, 147 literature-reported neutral losses and their corresponding substructures were collected. This set was tested for accuracy of linking neutral loss analysis to substructure annotations using 19 329 accurate mass tandem mass spectra of structurally known compounds from the NIST11 MS/MS library. Validation studies showed that 92.1 ± 6.4% of 13 typical neutral losses such as acetylations, cysteine conjugates, or glycosylations are correct annotating the associated substructures, while the absence of mass spectra features does not necessarily imply the absence of such substructures. Use of this tool has been successfully demonstrated for complex lipids in microalgae. PMID:25263576

  1. Synthesis and characterization of technetium(III) complexes containing 2,2'-bipyridine and 1,10-phenanthroline. X-ray crystal structures of cis (Cl),trans(P)-[TcCl2(P(CH3)2C6H5)2(bpy)]B(C6H5)4, cis (Cl),trans(P)-[TcCl2(P(CH3)2C6H5)2(phen)]B(C6H5)4, and cis (Cl),trans(P)-[TcCl2(P(CH3CH2)(C6H5)2)2(bpy)]SO3CF3

    International Nuclear Information System (INIS)

    Wilcox, B.E.; Ho, D.M.; Deutsch, E.

    1989-01-01

    Technetium(III) complexes of the general formula cis(Cl),trans(P)-[TcCl 2 (P) 2 L] + , where (P) is dimethylphenylphosphine (PMe 2 Ph) or ethyldiphenylphosphine (PEtPh 2 ) and L is 2,2'-bipyridine (bpy), 4,4'-dimethyl-2,2'-bipyridine (Me 2 bpy), or 1,10-phenanthroline (phen), have been synthesized and characterized. They are prepared by L substitution onto, with concomitant displacement of one chloride and one phosphine ligand from, the mer-TcCl 3 (P) 3 starting material in refluxing ethanol. Analysis of these complexes by fast atom bombardment mass spectrometry (in the positive ion mode) provides fingerprint mass spectra that exhibit peaks assigned to the molecular ion M + as well as peaks assigned to M + minus one or more monodentate ligands. Results of single-crystal x-ray structure determinations of cis(Cl),trans(P)-[TcCl 2 (PMe 2 Ph) 2 (bpy)]BPh 4 (A), cis(Cl),trans(P)-[TcCl 2- (PMe 2 Ph) 2 (phen)]BPh 4 (B), and cis(Cl),trans(P)-[TcCl 2 (PEtPh 2 ) 2 (bpy)]SO 3 CF 3 (C), with formula weights of 921.62, 945.64, and 903.65, respectively are reported. 26 refs., 5 figs., 5 tabs

  2. De novo analysis of electron impact mass spectra using fragmentation trees

    International Nuclear Information System (INIS)

    Hufsky, Franziska; Rempt, Martin; Rasche, Florian; Pohnert, Georg; Böcker, Sebastian

    2012-01-01

    Highlights: ► We present a method for de novo analysis of accurate mass EI mass spectra of small molecules. ► This method identifies the molecular ion and thus the molecular formula where the molecular ion is present in the spectrum. ► Fragmentation trees are constructed by automated signal extraction and evaluation. ► These trees explain relevant fragmentation reactions. ► This method will be very helpful in the automated analysis of unknown metabolites. - Abstract: The automated fragmentation analysis of high resolution EI mass spectra based on a fragmentation tree algorithm is introduced. Fragmentation trees are constructed from EI spectra by automated signal extraction and evaluation. These trees explain relevant fragmentation reactions and assign molecular formulas to fragments. The method enables the identification of the molecular ion and the molecular formula of a metabolite if the molecular ion is present in the spectrum. These identifications are independent of existing library knowledge and, thus, support assignment and structural elucidation of unknown compounds. The method works even if the molecular ion is of very low abundance or hidden under contaminants with higher masses. We apply the algorithm to a selection of 50 derivatized and underivatized metabolites and demonstrate that in 78% of cases the molecular ion can be correctly assigned. The automatically constructed fragmentation trees correspond very well to published mechanisms and allow the assignment of specific relevant fragments and fragmentation pathways even in the most complex EI-spectra in our dataset. This method will be very helpful in the automated analysis of metabolites that are not included in common libraries and it thus has the potential to support the explorative character of metabolomics studies.

  3. Synthesis and Electrospray Ionization Mass Spectra of N-(1,3,2-Dioxaphosphorinan-2-ylmethyl)thiophosphoramidates

    Institute of Scientific and Technical Information of China (English)

    MIAO,Zhi-Wei; FU,Cui-Rong; WANG,Bin; CUI,Zhan-Wei; ZHANG,Jian-Feng; CHEN,Ru-Yu

    2007-01-01

    N-(1,3,2-Dioxaphosphorinan-2-ylmethyl) thiophosphoramidates were synthesized and determined by NMR spectra and positive ion electrospray ionization mass spectrometry (ESI-MS) in conjunction with tandem mass spectrometry (MS/MS). The fragmentation pathways were investigated. The results show that these characteristic ions in ESI mass spectra are useful in the structural determination of N-(1,3,2-dioxaphosphorinan-2-ylmethyl)thiophosphoramidates.

  4. Mass spectra of alicylic compounds Pt. 8

    International Nuclear Information System (INIS)

    Remane, H.; Haufe, G.

    1980-01-01

    Mass spectrometric fragmentation of C 5 -C 8 as well as C 12 ring systems of tBHC and tBMC is discussed and compared to the fragmentation of Br-, hydroxy- and methoxy cycloalkanes of similar ring sizes. The dominant processes are the splitting of the functional groups yielding M-H 2 O 1+ , M-HOCH 3 1+ and M-Br 1+ fragments, and the disintegration of the rings producing C 3 H 4 X 1+ fragments (X=Br, OH, OCH 3 ). Intensities of the more important fragments correspond to the size of the ring. The isomers can be distinguished by their mass spectra due to the inequality of the intensities of the trans- and cis-forms of BHC and BMC. Functional groups influence mass spectrometric fragmentation as it is indicated by the correlation of the fragments of the bis-functional tBHC and tBMC and the fragments of monofractional compounds. (Sz.J.)

  5. Localization and mass spectra of various matter fields on Weyl thin brane

    Energy Technology Data Exchange (ETDEWEB)

    Sui, Tao-Tao; Zhao, Li; Zhang, Yu-Peng [Lanzhou University, Institute of Theoretical Physics, Lanzhou (China); Xie, Qun-Ying [Lanzhou University, School of Information Science and Engineering, Lanzhou (China)

    2017-06-15

    It has been shown that the thin brane model in a five-dimensional Weyl gravity can deal with the wrong-signed Friedmann-like equation in the Randall-Sundrum-1 (RS1) model. In the Weyl brane model, there are also two branes with opposite brane tensions, but the four-dimensional graviton (the gravity zero mode) is localized near the negative tension brane, while our four-dimensional universe is localized on the positive tension brane. In this paper, we consider the mass spectra of various bulk matter fields (i.e., scalar, vector, and fermion fields) on the Weyl brane. It is shown that the zero modes of those matter fields can be localized on the positive tension brane under some conditions. The mass spectra of the bulk matter fields are equidistant for the higher excited states, and relatively sparse for the lower excited states. The size of the extra dimension determines the gap of the mass spectra. We also consider the correction to the Newtonian potential in this model and it is proportional to 1/r{sup 3}. (orig.)

  6. Optical and Near-infrared Spectra of σ Orionis Isolated Planetary-mass Objects

    Energy Technology Data Exchange (ETDEWEB)

    Zapatero Osorio, M. R. [Centro de Astrobiología (CSIC-INTA), Crta. Ajalvir km 4, E-28850 Torrejón de Ardoz, Madrid (Spain); Béjar, V. J. S. [Instituto de Astrofísica de Canarias, C/. Vía Láctea s/n, E-38205 La Laguna, Tenerife (Spain); Ramírez, K. Peña, E-mail: mosorio@cab.inta-csic.es, E-mail: vbejar@iac.es, E-mail: karla.pena@uantof.cl [Unidad de Astronomía de la Universidad de Antofagasta, Av. U. de Antofagasta. 02800 Antofagasta (Chile)

    2017-06-10

    We have obtained low-resolution optical (0.7–0.98 μ m) and near-infrared (1.11–1.34 μ m and 0.8–2.5 μ m) spectra of 12 isolated planetary-mass candidates ( J = 18.2–19.9 mag) of the 3 Myr σ Orionis star cluster with the aim of determining the spectroscopic properties of very young, substellar dwarfs and assembling a complete cluster mass function. We have classified our targets by visual comparison with high- and low-gravity standards and by measuring newly defined spectroscopic indices. We derived L0–L4.5 and M9–L2.5 using high- and low-gravity standards, respectively. Our targets reveal clear signposts of youth, thus corroborating their cluster membership and planetary masses (6–13 M {sub Jup}). These observations complete the σ Orionis mass function by spectroscopically confirming the planetary-mass domain to a confidence level of ∼75%. The comparison of our spectra with BT-Settl solar metallicity model atmospheres yields a temperature scale of 2350–1800 K and a low surface gravity of log g ≈ 4.0 [cm s{sup −2}], as would be expected for young planetary-mass objects. We discuss the properties of the cluster’s least-massive population as a function of spectral type. We have also obtained the first optical spectrum of S Ori 70, a T dwarf in the direction of σ Orionis. Our data provide reference optical and near-infrared spectra of very young L dwarfs and a mass function that may be used as templates for future studies of low-mass substellar objects and exoplanets. The extrapolation of the σ Orionis mass function to the solar neighborhood may indicate that isolated planetary-mass objects with temperatures of ∼200–300 K and masses in the interval 6–13 M {sub Jup} may be as numerous as very low-mass stars.

  7. The Ca, Cl, Mg, Na, and P mass fractions in benign and malignant giant cell tumors of bone investigated by neutron activation analysis

    International Nuclear Information System (INIS)

    Vladimir Zaichick; German Davydov; Tatyana Epatova; Sofia Zaichick

    2015-01-01

    The Ca, Cl, Mg, Na, and P content and Ca/P, Ca/Mg, Ca/Na, Cl/Ca, and Cl/Na ratios in samples of intact bone, benign and malignant giant cell tumor (GCT) of bone were investigated by neutron activation analysis with high resolution spectrometry of short-lived radionuclides. It was found that in GCT tissue the mass fractions of Cl and Na are higher and the mass fraction of Ca and P are lower than in normal bone tissues. Moreover, it was shown that higher Cl/Na mass fraction ratios as well as lower Ca/Cl, Ca/Mg, and Ca/Na mass fraction ratios are typical of the GCT tissue compared to intact bone. Finally, we propose to use the estimation of such parameters as the Cl mass fraction and the Ca/Cl mass fraction ratio as an additional test for differential diagnosis between benign and malignant GCT. (author)

  8. Mass transfer performance comparison of two commonly used liquid desiccants: LiBr and LiCl aqueous solutions

    International Nuclear Information System (INIS)

    Liu, X.H.; Yi, X.Q.; Jiang, Y.

    2011-01-01

    Mass transfer performance of two commonly used liquid desiccants, LiBr aqueous solution and LiCl aqueous solution, is compared in this paper on the basis of the same solution temperature and surface vapor pressure. According to the analysis of the analytical solutions of heat and mass transfer processes, the key performance influencing factors are heat capacity ratio of air to desiccant m * and mass transfer unit NTU m . The heat capacities of the two liquid desiccants are about the same at same volumetric flow rate, and LiBr solution has higher density and smaller specific heat capacity. The variance of mass transfer unit with different operating conditions and liquid desiccants are derived based on the experimental results. In the condition of the same desiccant mass flow rate, the dehumidification performance of LiCl solution is better, and the regeneration performance of LiBr solution is a little better or almost the same as that of LiCl solution. In the condition of the same desiccant volumetric flow rate, the dehumidification performance of LiCl solution is a little better or about the same compared with LiBr solution, and the regeneration performance of LiBr solution is better. The COPs of the liquid desiccant systems using these two desiccants are similar; while LiCl solution costs 18% lower than LiBr solution at current Chinese price.

  9. Improved Peak Detection and Deconvolution of Native Electrospray Mass Spectra from Large Protein Complexes.

    Science.gov (United States)

    Lu, Jonathan; Trnka, Michael J; Roh, Soung-Hun; Robinson, Philip J J; Shiau, Carrie; Fujimori, Danica Galonic; Chiu, Wah; Burlingame, Alma L; Guan, Shenheng

    2015-12-01

    Native electrospray-ionization mass spectrometry (native MS) measures biomolecules under conditions that preserve most aspects of protein tertiary and quaternary structure, enabling direct characterization of large intact protein assemblies. However, native spectra derived from these assemblies are often partially obscured by low signal-to-noise as well as broad peak shapes because of residual solvation and adduction after the electrospray process. The wide peak widths together with the fact that sequential charge state series from highly charged ions are closely spaced means that native spectra containing multiple species often suffer from high degrees of peak overlap or else contain highly interleaved charge envelopes. This situation presents a challenge for peak detection, correct charge state and charge envelope assignment, and ultimately extraction of the relevant underlying mass values of the noncovalent assemblages being investigated. In this report, we describe a comprehensive algorithm developed for addressing peak detection, peak overlap, and charge state assignment in native mass spectra, called PeakSeeker. Overlapped peaks are detected by examination of the second derivative of the raw mass spectrum. Charge state distributions of the molecular species are determined by fitting linear combinations of charge envelopes to the overall experimental mass spectrum. This software is capable of deconvoluting heterogeneous, complex, and noisy native mass spectra of large protein assemblies as demonstrated by analysis of (1) synthetic mononucleosomes containing severely overlapping peaks, (2) an RNA polymerase II/α-amanitin complex with many closely interleaved ion signals, and (3) human TriC complex containing high levels of background noise. Graphical Abstract ᅟ.

  10. MetaUniDec: High-Throughput Deconvolution of Native Mass Spectra

    Science.gov (United States)

    Reid, Deseree J.; Diesing, Jessica M.; Miller, Matthew A.; Perry, Scott M.; Wales, Jessica A.; Montfort, William R.; Marty, Michael T.

    2018-04-01

    The expansion of native mass spectrometry (MS) methods for both academic and industrial applications has created a substantial need for analysis of large native MS datasets. Existing software tools are poorly suited for high-throughput deconvolution of native electrospray mass spectra from intact proteins and protein complexes. The UniDec Bayesian deconvolution algorithm is uniquely well suited for high-throughput analysis due to its speed and robustness but was previously tailored towards individual spectra. Here, we optimized UniDec for deconvolution, analysis, and visualization of large data sets. This new module, MetaUniDec, centers around a hierarchical data format 5 (HDF5) format for storing datasets that significantly improves speed, portability, and file size. It also includes code optimizations to improve speed and a new graphical user interface for visualization, interaction, and analysis of data. To demonstrate the utility of MetaUniDec, we applied the software to analyze automated collision voltage ramps with a small bacterial heme protein and large lipoprotein nanodiscs. Upon increasing collisional activation, bacterial heme-nitric oxide/oxygen binding (H-NOX) protein shows a discrete loss of bound heme, and nanodiscs show a continuous loss of lipids and charge. By using MetaUniDec to track changes in peak area or mass as a function of collision voltage, we explore the energetic profile of collisional activation in an ultra-high mass range Orbitrap mass spectrometer. [Figure not available: see fulltext.

  11. Nebular and auroral emission lines of [Cl III] in the optical spectra of planetary nebulae.

    Science.gov (United States)

    Keenan, F P; Aller, L H; Ramsbottom, C A; Bell, K L; Crawford, F L; Hyung, S

    2000-04-25

    Electron impact excitation rates in Cl III, recently determined with the R-matrix code, are used to calculate electron temperature (T(e)) and density (N(e)) emission line ratios involving both the nebular (5517.7, 5537.9 A) and auroral (8433.9, 8480.9, 8500.0 A) transitions. A comparison of these results with observational data for a sample of planetary nebulae, obtained with the Hamilton Echelle Spectrograph on the 3-m Shane Telescope, reveals that the R(1) = I(5518 A)/I(5538 A) intensity ratio provides estimates of N(e) in excellent agreement with the values derived from other line ratios in the echelle spectra. This agreement indicates that R(1) is a reliable density diagnostic for planetary nebulae, and it also provides observational support for the accuracy of the atomic data adopted in the line ratio calculations. However the [Cl iii] 8433.9 A line is found to be frequently blended with a weak telluric emission feature, although in those instances when the [Cl iii] intensity may be reliably measured, it provides accurate determinations of T(e) when ratioed against the sum of the 5518 and 5538 A line fluxes. Similarly, the 8500.0 A line, previously believed to be free of contamination by the Earth's atmosphere, is also shown to be generally blended with a weak telluric emission feature. The [Cl iii] transition at 8480.9 A is found to be blended with the He i 8480.7 A line, except in planetary nebulae that show a relatively weak He i spectrum, where it also provides reliable estimates of T(e) when ratioed against the nebular lines. Finally, the diagnostic potential of the near-UV [Cl iii] lines at 3344 and 3354 A is briefly discussed.

  12. In silico fragmentation for computer assisted identification of metabolite mass spectra

    Directory of Open Access Journals (Sweden)

    Müller-Hannemann Matthias

    2010-03-01

    Full Text Available Abstract Background Mass spectrometry has become the analytical method of choice in metabolomics research. The identification of unknown compounds is the main bottleneck. In addition to the precursor mass, tandem MS spectra carry informative fragment peaks, but the coverage of spectral libraries of measured reference compounds are far from covering the complete chemical space. Compound libraries such as PubChem or KEGG describe a larger number of compounds, which can be used to compare their in silico fragmentation with spectra of unknown metabolites. Results We created the MetFrag suite to obtain a candidate list from compound libraries based on the precursor mass, subsequently ranked by the agreement between measured and in silico fragments. In the evaluation MetFrag was able to rank most of the correct compounds within the top 3 candidates returned by an exact mass query in KEGG. Compared to a previously published study, MetFrag obtained better results than the commercial MassFrontier software. Especially for large compound libraries, the candidates with a good score show a high structural similarity or just different stereochemistry, a subsequent clustering based on chemical distances reduces this redundancy. The in silico fragmentation requires less than a second to process a molecule, and MetFrag performs a search in KEGG or PubChem on average within 30 to 300 seconds, respectively, on an average desktop PC. Conclusions We presented a method that is able to identify small molecules from tandem MS measurements, even without spectral reference data or a large set of fragmentation rules. With today's massive general purpose compound libraries we obtain dozens of very similar candidates, which still allows a confident estimate of the correct compound class. Our tool MetFrag improves the identification of unknown substances from tandem MS spectra and delivers better results than comparable commercial software. MetFrag is available through a web

  13. Re-hardening of hadron transverse mass spectra in relativistic heavy-ion collisions

    International Nuclear Information System (INIS)

    Ohnishi, A.; Otuka, N.; Sahu, P.K.; Isse, M.; Nara, Y.

    2001-01-01

    We analyze the spectra of pions and protons in heavy-ion collisions at relativistic energies from 2 A GeV to 65 + 65 A GeV by using a jet-implemented hadron-string cascade model. In this energy region, hadron transverse mass spectra first show softening until SPS energies, and re-hardening may emerge at RHIC energies. Since hadronic matter is expected to show only softening at higher energy densities, this re-hardening of spectra can be interpreted as a good signature of the quark-gluon plasma formation. (author)

  14. Luminescence properties of undoped CsCaCl3 and CsSrCl3 crystalline scintillators

    International Nuclear Information System (INIS)

    Fujimoto, Yutaka; Saeki, Keiichiro; Koshimizu, Masanori; Asai, Keisuke; Yanagida, Takayuki

    2015-01-01

    Intrinsic luminescence properties of undoped CsCaCl 3 and CsSrCl 3 crystalline scintillators were studied. The crystal samples were grown by a vertical Bridgman method. Photoluminescence spectra of the crystals showed Auger-free luminescence (AFL) at 310 nm and self-trapped emission (STE) at 400 nm for CsCaCl 3 and 465 nm for CsSrCl 3 , when vacuum ultraviolet (VUV) light at 84 nm and 160 nm excited the crystals. X-ray excited radioluminescence spectra of the crystals showed some emission bands in the 280-600 nm wavelength range, which are owing to AFL, STE, and other origins such as lattice defects and impurities. Scintillation light yield was 400-300 ph/MeV, and the principal scintillation decay time about 2.5 ns and 12 ns for CsCaCl 3 and 1.8 ns and 13 ns for CsSrCl 3 . (author)

  15. HCl and ClO in activated Arctic air; first retrieved vertical profiles from TELIS submillimetre limb spectra

    Directory of Open Access Journals (Sweden)

    A. de Lange

    2012-02-01

    Full Text Available The first profile retrieval results of the Terahertz and submillimeter Limb Sounder (TELIS balloon instrument are presented. The spectra are recorded during a 13-h balloon flight on 24 January 2010 from Kiruna, Sweden. The TELIS instrument was mounted on the MIPAS-B2 gondola and shared this platform with the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS and the mini-Differential Optical Absorption Spectroscopy (mini-DOAS instruments. The flight took place within the Arctic vortex at an altitude of ≈34 km in chlorine activated air, and both active (ClO and inactive chlorine (HCl were measured over an altitude range of respectively ≈16–32 km and ≈10–32 km. In this altitude range, the increase of ClO concentration levels during sunrise has been recorded with a temporal resolution of one minute. During the daytime equilibrium, a maximum ClO level of 2.1 ± 0.3 ppbv has been observed at an altitude of 23.5 km. This equilibrium profile is validated against the ClO profile by the satellite instrument Microwave Limb Sounder (MLS aboard EOS Aura. HCl profiles have been determined from two different isotopes – H35Cl and H37Cl – and are also validated against MLS. The precision of all profiles is well below 0.01 ppbv and the overall accuracy is therefore governed by systematic effects. The total uncertainty of these effects is estimated to be maximal 0.3 ppbv for ClO around its peak value at 23.5 km during the daytime equilibrium, and for HCl it ranges from 0.05 to 0.4 ppbv, depending on altitude. In both cases the main uncertainty stems from a largely unknown non-linear response in the detector.

  16. Mass spectra features of biomass burning boiler and coal burning boiler emitted particles by single particle aerosol mass spectrometer.

    Science.gov (United States)

    Xu, Jiao; Li, Mei; Shi, Guoliang; Wang, Haiting; Ma, Xian; Wu, Jianhui; Shi, Xurong; Feng, Yinchang

    2017-11-15

    In this study, single particle mass spectra signatures of both coal burning boiler and biomass burning boiler emitted particles were studied. Particle samples were suspended in clean Resuspension Chamber, and analyzed by ELPI and SPAMS simultaneously. The size distribution of BBB (biomass burning boiler sample) and CBB (coal burning boiler sample) are different, as BBB peaks at smaller size, and CBB peaks at larger size. Mass spectra signatures of two samples were studied by analyzing the average mass spectrum of each particle cluster extracted by ART-2a in different size ranges. In conclusion, BBB sample mostly consists of OC and EC containing particles, and a small fraction of K-rich particles in the size range of 0.2-0.5μm. In 0.5-1.0μm, BBB sample consists of EC, OC, K-rich and Al_Silicate containing particles; CBB sample consists of EC, ECOC containing particles, while Al_Silicate (including Al_Ca_Ti_Silicate, Al_Ti_Silicate, Al_Silicate) containing particles got higher fractions as size increase. The similarity of single particle mass spectrum signatures between two samples were studied by analyzing the dot product, results indicated that part of the single particle mass spectra of two samples in the same size range are similar, which bring challenge to the future source apportionment activity by using single particle aerosol mass spectrometer. Results of this study will provide physicochemical information of important sources which contribute to particle pollution, and will support source apportionment activities. Copyright © 2017. Published by Elsevier B.V.

  17. 35Cl NQR spectra of group 1 and silver dichloromethanesulfonates

    International Nuclear Information System (INIS)

    Gillette, Gabriel; Wulfsberg, Gary

    2008-01-01

    The dichloromethanesulfonates of silver and other +1-charged cations, M + (Cl 2 CHSO 3 - ) (M = Ag, Tl, Li, Na, K, Rb, Cs) were synthesized and studied by 35 Cl NQR. Dichloromethanesulfonic acid was prepared by the methanolysis of dichloromethanesulfonyl chloride, and was then neutralized with the carbonates of the +1-charged cations to produce the corresponding dichloromethanesulfonate salt. This NQR study completed the investigation of the chloroacetates and chloromethanesulfonates of silver, Ag + (Cl x CH 3-x SO 3 - ) and Ag + (Cl x CH 3-x CO 2 - ), and suggests (1) that the ability of organochlorine atoms to coordinate to silver decreases as the number of electron-withdrawing groups (Cl, SO 3 - , CO 2 - ) attached to the carbon atom increases; (2) that the unusually large NQR spectral width found among M + (Cl 2 CHCO 2 + ) salts is not present among M + (Cl 2 CHSO 3 + ) salts, and therefore is not generally characteristic of the dichloromethyl group in salts.

  18. STRAPS v1.0: evaluating a methodology for predicting electron impact ionisation mass spectra for the aerosol mass spectrometer

    Directory of Open Access Journals (Sweden)

    D. O. Topping

    2017-06-01

    Full Text Available Our ability to model the chemical and thermodynamic processes that lead to secondary organic aerosol (SOA formation is thought to be hampered by the complexity of the system. While there are fundamental models now available that can simulate the tens of thousands of reactions thought to take place, validation against experiments is highly challenging. Techniques capable of identifying individual molecules such as chromatography are generally only capable of quantifying a subset of the material present, making it unsuitable for a carbon budget analysis. Integrative analytical methods such as the Aerosol Mass Spectrometer (AMS are capable of quantifying all mass, but because of their inability to isolate individual molecules, comparisons have been limited to simple data products such as total organic mass and the O : C ratio. More detailed comparisons could be made if more of the mass spectral information could be used, but because a discrete inversion of AMS data is not possible, this activity requires a system of predicting mass spectra based on molecular composition. In this proof-of-concept study, the ability to train supervised methods to predict electron impact ionisation (EI mass spectra for the AMS is evaluated. Supervised Training Regression for the Arbitrary Prediction of Spectra (STRAPS is not built from first principles. A methodology is constructed whereby the presence of specific mass-to-charge ratio (m∕z channels is fitted as a function of molecular structure before the relative peak height for each channel is similarly fitted using a range of regression methods. The widely used AMS mass spectral database is used as a basis for this, using unit mass resolution spectra of laboratory standards. Key to the fitting process is choice of structural information, or molecular fingerprint. Our approach relies on using supervised methods to automatically optimise the relationship between spectral characteristics and these molecular

  19. STRAPS v1.0: evaluating a methodology for predicting electron impact ionisation mass spectra for the aerosol mass spectrometer

    Science.gov (United States)

    Topping, David O.; Allan, James; Rami Alfarra, M.; Aumont, Bernard

    2017-06-01

    Our ability to model the chemical and thermodynamic processes that lead to secondary organic aerosol (SOA) formation is thought to be hampered by the complexity of the system. While there are fundamental models now available that can simulate the tens of thousands of reactions thought to take place, validation against experiments is highly challenging. Techniques capable of identifying individual molecules such as chromatography are generally only capable of quantifying a subset of the material present, making it unsuitable for a carbon budget analysis. Integrative analytical methods such as the Aerosol Mass Spectrometer (AMS) are capable of quantifying all mass, but because of their inability to isolate individual molecules, comparisons have been limited to simple data products such as total organic mass and the O : C ratio. More detailed comparisons could be made if more of the mass spectral information could be used, but because a discrete inversion of AMS data is not possible, this activity requires a system of predicting mass spectra based on molecular composition. In this proof-of-concept study, the ability to train supervised methods to predict electron impact ionisation (EI) mass spectra for the AMS is evaluated. Supervised Training Regression for the Arbitrary Prediction of Spectra (STRAPS) is not built from first principles. A methodology is constructed whereby the presence of specific mass-to-charge ratio (m/z) channels is fitted as a function of molecular structure before the relative peak height for each channel is similarly fitted using a range of regression methods. The widely used AMS mass spectral database is used as a basis for this, using unit mass resolution spectra of laboratory standards. Key to the fitting process is choice of structural information, or molecular fingerprint. Our approach relies on using supervised methods to automatically optimise the relationship between spectral characteristics and these molecular fingerprints. Therefore

  20. U(3)-flavor nonet scalar as an origin of the flavor mass spectra

    International Nuclear Information System (INIS)

    Koide, Yoshio

    2008-01-01

    According to an idea that the quark and lepton mass spectra originate in a VEV structure of a U(3)-flavor nonet scalar Φ, the mass spectra of the down-quarks and charged leptons are investigated. The U(3) flavor symmetry is spontaneously and completely broken by non-zero and non-degenerated VEVs of Φ, without passing any subgroup of U(3). The ratios (m e +m μ +m τ )/(√(m e )+√(m μ )+√(m τ )) 2 and √(m e m μ m τ )/(√(m e )+√(m μ )+√(m τ )) 3 are investigated based on a toy model

  1. Calibration of matrix-assisted laser desorption/ionization time-of-flight peptide mass fingerprinting spectra

    DEFF Research Database (Denmark)

    Hjernø, Karin; Højrup, Peter

    2007-01-01

    This chapter describes a number of aspects important for calibration of matrix-assisted laser desorption/ionization time-of-flight spectra prior to peptide mass fingerprinting searches. Both multipoint internal calibration and mass defect-based calibration is illustrated. The chapter describes ho...

  2. Spectral intensities: The emission spectra for the Cs2NaScCl6: MoCl63- system in the Fm3m space group

    International Nuclear Information System (INIS)

    Acevedo, R.; Meruane, T.; Navarro, G.

    2000-01-01

    Taking advantage of the data reported by Flint and Paulusz, we have undertaken a theoretical investigation of the intensity mechanism for the various emissions; Γ 8 ( 2 T 2g ) → Γ 8 ( 4 A 2g ), Γ 8 ( 2 E g ), Γ 8 ( 2 T 1g ), Γ 6 ( 2 T 1g ) for the Cs 2 NaScCl 6 :MoCl 6 3- system in the Fm3m-space group. The experimental data reported by these authors, refer to the visible and near infrared luminescence spectra of MoCl 3- 6 complex ion in different host, such as Cs 2 NaMCl 6 (M = Sc, Y, In), measured between 15,000 cm -1 and 3,000 cm -1 at liquid helium temperatures. At least, five luminescence transitions have been identified and assigned and each of them show extensive vibronic structure, which was analyzed to yield the vibrational frequencies of the MoX 3- 6 (X -1 = Cl -1 Br -1 ) ion in each excitation. A careful analysis of the experimental data reported shows that for the various observed electronic transitions, the vibration frequencies do change only slightly, and therefore there is no indication that the system undergoes a Jahn-Teller distortion (along an active coordinate) of some importance to be taken into account in the current work. There is, though clear evidence that for the chloro-elpasolites, there is a strong resonance interaction between ν 3 (τ 1u : stretching) of the MoX 6 3- , complex ion and that of the host when M = In, Y. Thus for M = Sc, the slighter higher host ν 3 , wavenumber is likely to minimizes the effect of this coupling. This experimental evidence, will allow us for the Cs 2 NaScCl 6 3- system to neglect to first order approximation, the coupling among the internal and the external vibrations and to proceed using a both a molecular model and the independent system model (ISM)

  3. Systematic Uncertainties in Black Hole Masses Determined from Single Epoch Spectra

    DEFF Research Database (Denmark)

    Denney, Kelly D.; Peterson, Bradley M.; Dietrich, Matthias

    2008-01-01

    We explore the nature of systematic errors that can arise in measurement of black hole masses from single-epoch spectra of active galactic nuclei (AGNs) by utilizing the many epochs available for NGC 5548 and PG1229+204 from reverberation mapping databases. In particular, we examine systematics due...

  4. Kinetic isotope effects in the gas phase reactions of OH and Cl with CH3Cl, CD3Cl, and 13CH3Cl

    Directory of Open Access Journals (Sweden)

    A. A. Gola

    2005-01-01

    Full Text Available The kinetic isotope effects in the reactions of CH3Cl, 13CH3Cl and CD3Cl with OH radicals and Cl atoms were studied in relative rate experiments at 298±2 K and 1013±10 mbar. The reactions were carried out in a smog chamber using long path FTIR detection and the spectroscopic data analyzed employing a non-linear least squares spectral fitting method using measured high-resolution infrared spectra as well as absorption cross sections from the HITRAN database. The reaction rates of 13CH3Cl and CD3Cl with OH and Cl were determined relative to CH3Cl as: kOH+CH3ClkOH+CH3Cl/kOH+13CH3Cl}kOH+13CH3Cl=1.059±0.008, kOH+CH3ClkOH+CH3Cl/kOH+CD3ClkOH+CD3Cl=3.9±0.4, kCl+CH3ClkCl+CH3Cl/kCl+13CH3ClkCl+13CH3Cl =1.070±0.010 and kCl+CH3ClkCl+CH3Cl/kCl+CD3ClkCl+CD3Cl=4.91±0.07. The uncertainties given are 2σ from the statistical analyses and do not include possible systematic errors. The unexpectedly large 13C kinetic isotope effect in the OH reaction of CH3Cl has important implications for the global emission inventory of CH3Cl.

  5. Robust automated mass spectra interpretation and chemical formula calculation using mixed integer linear programming.

    Science.gov (United States)

    Baran, Richard; Northen, Trent R

    2013-10-15

    Untargeted metabolite profiling using liquid chromatography and mass spectrometry coupled via electrospray ionization is a powerful tool for the discovery of novel natural products, metabolic capabilities, and biomarkers. However, the elucidation of the identities of uncharacterized metabolites from spectral features remains challenging. A critical step in the metabolite identification workflow is the assignment of redundant spectral features (adducts, fragments, multimers) and calculation of the underlying chemical formula. Inspection of the data by experts using computational tools solving partial problems (e.g., chemical formula calculation for individual ions) can be performed to disambiguate alternative solutions and provide reliable results. However, manual curation is tedious and not readily scalable or standardized. Here we describe an automated procedure for the robust automated mass spectra interpretation and chemical formula calculation using mixed integer linear programming optimization (RAMSI). Chemical rules among related ions are expressed as linear constraints and both the spectra interpretation and chemical formula calculation are performed in a single optimization step. This approach is unbiased in that it does not require predefined sets of neutral losses and positive and negative polarity spectra can be combined in a single optimization. The procedure was evaluated with 30 experimental mass spectra and was found to effectively identify the protonated or deprotonated molecule ([M + H](+) or [M - H](-)) while being robust to the presence of background ions. RAMSI provides a much-needed standardized tool for interpreting ions for subsequent identification in untargeted metabolomics workflows.

  6. SEPARATION OF CsCl FROM LiCl-CsCl MOLTEN SALT BY COLD FINGER MELT CRYSTALLIZATION

    Directory of Open Access Journals (Sweden)

    JOSHUA R. VERSEY

    2014-06-01

    Full Text Available This study provides a fundamental understanding of a cold finger melt crystallization technique by exploring the heat and mass transfer processes of cold finger separation. A series of experiments were performed using a simplified LiCl-CsCl system by varying initial CsCl concentrations (1, 3, 5, and 7.5 wt%, cold finger cooling rates (7.4, 9.8, 12.3, and 14.9 L/min, and separation times (5, 10, 15, and 30 min. Results showed a potential recycling rate of 0.36 g/min with a purity of 0.33 wt% CsCl in LiCl. A CsCl concentrated drip formation was found to decrease crystal purity especially for smaller crystal formations. Dimensionless heat and mass transfer correlations showed that separation production is primarily influenced by convective transfer controlled by cooling gas flow rate, where correlations are more accurate for slower cooling gas flow rates.

  7. Seperation of CsCl from LiCl-CsCl molten salt by cold finger melt cryst allization

    Energy Technology Data Exchange (ETDEWEB)

    Versey, Joshua R. [Dept. of Chemical and Materials Engineering and Nuclear Engineering Program University of Idaho, Idaho (United States); Phongikaroon, Supathorn [Dept. of Mechanical and Nuclear Engineering Virginia Commonwealth University, Richmond (Korea, Republic of); Simpson, Michael F. [Dept. of Metallurgical Engineering University of Utah, Utah (Korea, Republic of)

    2014-06-15

    This study provides a fundamental understanding of a cold finger melt crystallization technique by exploring the heat and mass transfer processes of cold finger separation. A series of experiments were performed using a simplified LiCl-CsCl system by varying initial CsCl concentrations (1, 3, 5, and 7.5 wt%), cold finger cooling rates (7.4, 9.8, 12.3, and 14.9 L/min), and separation times (5, 10, 15, and 30 min). Results showed a potential recycling rate of 0.36 g/min with a purity of 0.33 wt% CsCl in LiCl. A CsCl concentrated drip formation was found to decrease crystal purity especially for smaller crystal formations. Dimensionless heat and mass transfer correlations showed that separation production is primarily influenced by convective transfer controlled by cooling gas flow rate, where correlations are more accurate for slower cooling gas flow rates.

  8. QCD's Partner Needed for Mass Spectra and Parton Structure Functions

    International Nuclear Information System (INIS)

    Kim, Y.S.

    2009-01-01

    as in the case of the hydrogen atom, bound-state wave functions are needed to generate hadronic spectra. For this purpose, in 1971, Feynman and his students wrote down a Lorentz-invariant harmonic oscillator equation. This differential equation has one set of solutions satisfying the Lorentz-covariant boundary condition. This covariant set generates Lorentz-invariant mass spectra with their degeneracies. Furthermore, the Lorentz-covariant wave functions allow us to calculate the valence parton distribution by Lorentz-boosting the quark-model wave function from the hadronic rest frame. However, this boosted wave function does not give an accurate parton distribution. The wave function needs QCD corrections to make a contact with the real world. Likewise, QCD needs the wave function as a starting point for calculating the parton structure function. (author)

  9. {sup 35}Cl NQR spectra of group 1 and silver dichloromethanesulfonates

    Energy Technology Data Exchange (ETDEWEB)

    Gillette, Gabriel; Wulfsberg, Gary, E-mail: gwulfsbe@mtsu.edu [Middle Tennessee State University, Department of Chemistry (United States)

    2008-01-15

    The dichloromethanesulfonates of silver and other +1-charged cations, M{sup +} (Cl{sub 2}CHSO{sub 3}{sup -}) (M = Ag, Tl, Li, Na, K, Rb, Cs) were synthesized and studied by {sup 35}Cl NQR. Dichloromethanesulfonic acid was prepared by the methanolysis of dichloromethanesulfonyl chloride, and was then neutralized with the carbonates of the +1-charged cations to produce the corresponding dichloromethanesulfonate salt. This NQR study completed the investigation of the chloroacetates and chloromethanesulfonates of silver, Ag{sup +} (Cl{sub x}CH{sub 3-x}SO{sub 3}{sup -}) and Ag{sup +}(Cl{sub x}CH{sub 3-x}CO{sub 2}{sup -}), and suggests (1) that the ability of organochlorine atoms to coordinate to silver decreases as the number of electron-withdrawing groups (Cl, SO{sub 3}{sup -}, CO{sub 2}{sup -}) attached to the carbon atom increases; (2) that the unusually large NQR spectral width found among M{sup +} (Cl{sub 2}CHCO{sub 2}{sup +}) salts is not present among M{sup +} (Cl{sub 2}CHSO{sub 3}{sup +}) salts, and therefore is not generally characteristic of the dichloromethyl group in salts.

  10. Spectroscopic studies of the size effects in the absorption spectra of (NH2(C2H5)2)2CuCl4 nanocrystals incorporated into the PMMA photopolymer matrix

    International Nuclear Information System (INIS)

    Kapustianyk, V.; Partyka, M.; Rudyk, V.; Piasecki, M.; Brik, M.G.; Tkaczyk, S.; Ozga, K.; Plucinski, K.; Romanyshyn, S.; Kityk, I.V.

    2010-01-01

    The absorption spectra of (NH 2 (C 2 H 5 ) 2 ) 2 CuCl 4 (DEACC) single crystals and nanocrystals (NC) incorporated into the polymethyl methacrylate (PMMA) polymer matrices were investigated both experimentally and theoretically. It was established that the crystal field spectra of Cu 2+ ion detect clearly the quantum size effects. The observed spectra were analyzed using first principle crystal field quantum chemical calculations. It was shown that incorporation of NCs into the polymer matrix allows to identify the charge-transfer (CT) bands in the spectra of DEACC crystals.

  11. A mass spectrometric study of the neutral and ionic vapor components of ytterbium chlorides; formation enthalpies of YbCl2 and YbCl3 molecules, and YbCl3- and YbCl4- ions in the gas phase

    International Nuclear Information System (INIS)

    Kuznetsov, F.Yh.; Kudin, L.S.; Pogrebnoj, A.M.; Butman, M.F.; Burdukovskaya, G.G.

    1997-01-01

    Ionic and neutral components of saturated vapour over the ytterbium di-and trichloride is studied through the Knudsen effusive method with mass-spectromic registration of evaporated products within the temperature range of 1000-1300 K. It is found that ytterbium trichloride is subjected to thermal decomposition with formation of ytterbium dichloride and molecular chloride. Sublimation enthalpy and enthalpy of YbCl 2 and YbCl 3 molecules formation in a gaseous phase at 298 K, comprising 356±6, 293±8, -425±6 and -667±6 kJ/mole correspondingly, are determined with application of 2 and 3 thermodynamical laws. Enthalpies of YbCl 3 - and YbCl 4 - negative ions formation in a gaseous phase at 298 K equal to -895 and -1211±30 kJ/mole correspondingly are calculated by measured equilibrium constants ion-molecular reaction. 30 refs., 3 figs., 3 tabs

  12. Towards automated discrimination of lipids versus peptides from full scan mass spectra

    Directory of Open Access Journals (Sweden)

    Piotr Dittwald

    2014-09-01

    Full Text Available Although physicochemical fractionation techniques play a crucial role in the analysis of complex mixtures, they are not necessarily the best solution to separate specific molecular classes, such as lipids and peptides. Any physical fractionation step such as, for example, those based on liquid chromatography, will introduce its own variation and noise. In this paper we investigate to what extent the high sensitivity and resolution of contemporary mass spectrometers offers viable opportunities for computational separation of signals in full scan spectra. We introduce an automatic method that can discriminate peptide from lipid peaks in full scan mass spectra, based on their isotopic properties. We systematically evaluate which features maximally contribute to a peptide versus lipid classification. The selected features are subsequently used to build a random forest classifier that enables almost perfect separation between lipid and peptide signals without requiring ion fragmentation and classical tandem MS-based identification approaches. The classifier is trained on in silico data, but is also capable of discriminating signals in real world experiments. We evaluate the influence of typical data inaccuracies of common classes of mass spectrometry instruments on the optimal set of discriminant features. Finally, the method is successfully extended towards the classification of individual lipid classes from full scan mass spectral features, based on input data defined by the Lipid Maps Consortium.

  13. A new application of hierarchical cluster analysis to investigate organic peaks in bulk mass spectra obtained with an Aerodyne Aerosol Mass Spectrometer

    Science.gov (United States)

    Middlebrook, A. M.; Marcolli, C.; Canagaratna, M. R.; Worsnop, D. R.; Bahreini, R.; de Gouw, J. A.; Warneke, C.; Goldan, P. D.; Kuster, W. C.; Williams, E. J.; Lerner, B. M.; Roberts, J. M.; Meagher, J. F.; Fehsenfeld, F. C.; Marchewka, M. L.; Bertman, S. B.

    2006-12-01

    We applied hierarchical cluster analysis to an Aerodyne aerosol mass spectrometer (AMS) bulk mass spectral dataset collected aboard the NOAA research vessel Ronald H. Brown during the 2002 New England Air Quality Study off the east coast of the United States. Emphasizing the organic peaks, the cluster analysis yielded a series of categories that are distinguishable with respect to their mass spectra and their occurrence as a function of time. The differences between the categories mainly arise from relative intensity changes rather than from the presence or absence of specific peaks. The most frequent category exhibits a strong signal at m/z 44 and represents oxidized organic matter probably originating from both anthropogenic as well as biogenic sources. On the basis of spectral and trace gas correlations, the second most common category with strong signals at m/z 29, 43, and 44 contains contributions from isoprene oxidation products. The third through the fifth most common categories have peak patterns characteristic of monoterpene oxidation products and were most frequently observed when air masses from monoterpene rich regions were sampled. Taken together, the second through the fifth most common categories represent on average 17% of the total organic mass that stems likely from biogenic sources during the ship's cruise. These numbers have to be viewed as lower limits since the most common category was attributed to anthropogenic sources for this calculation. The cluster analysis was also very effective in identifying a few contaminated mass spectra that were not removed during pre-processing. This study demonstrates that hierarchical clustering is a useful tool to analyze the complex patterns of the organic peaks in bulk aerosol mass spectra from a field study.

  14. The laser desorption/laser ionization mass spectra of some methylated xanthines and the laser desorption of caffeine and theophylline from thin layer chromatography plates

    Science.gov (United States)

    Rogers, Kevin; Milnes, John; Gormally, John

    1993-02-01

    Laser desorption/laser ionization time-of-flight mass spectra of caffeine, theophylline, theobromine and xanthine are reported. These mass spectra are compared with published spectra obtained using electron impact ionization. Mass spectra of caffeine and theophylline obtained by IR laser desorption from thin layer chromatography plates are also described. The laser desorption of materials from thin layer chromatography plates is discussed.

  15. Spectroscopic analysis of PMMA/PVC blends containing CoCl2

    Directory of Open Access Journals (Sweden)

    N.S. Alghunaim

    2015-01-01

    Full Text Available Composites of polymethyl methacrylate (PMMA and polyvinyl chloride (PVC polymer blend containing different concentrations (⩽10 wt. of cobalt chloride (CoCl2 were prepared by casting techniques. The changes of the structural, spectroscopic, optical and thermal parameters of the samples are studied using different tools. FT-IR spectroscopy confirmed the complexation between the blends and Co+2-ions. The decrease or increase of IR band intensity with some shifts of other bands suggests an interaction and compatibility between PMMA/PVC blends with CoCl2 take place. The Ultra violet and visible (UV/Vis spectra indicated that the presence of band gap energy depends on increasing of CoCl2 contents. The absorption intensity of the samples doped with CoCl2 becomes faint lower than the pure blend. The values of energy gap for direct and indirect transition decreases with the increase of CoCl2 due to the presence of charge transfer between PMMA/PVC and CoCl2. The thermogravimetric analysis (TGA curves for all the samples have the same behavior and more steps of decomposition were observed. The reduction of mass loss for samples containing CoCl2 compared to the pure blend was observed and it was attributed to crosslink formation between the blend and CoCl2.

  16. Crystal field influence on vibration spectra: anhydrous uranyl chloride and dihydroxodiuranyl chloride tetrahydrate

    International Nuclear Information System (INIS)

    Perrin, Andre; Caillet, Paul

    1976-01-01

    Vibrational spectra of anhydrous uranyl chloride UO 2 Cl 2 and so called basic uranyl chloride: dihydroxodiuranyl chloride tetrahydrate /UO 2 (OH) 2 UO 2 /Cl 2 (H 2 O) 4 are reported. Factor group method analysis leads for the first time to complete and comprehensive interpretation of their spectra. Two extreme examples of crystal field influence on vibrational spectra are pointed out: for UO 2 Cl 2 , one is unable to explain spectra without taking into account all the elements of primitive crystalline cell, whilst for dihydroxodiuranyl dichloride tetrahydrate the crystal packing has very little effect on vibrational spectra [fr

  17. Calculations of the electronic levels, spin-Hamiltonian parameters and vibrational spectra for the CrCl{sub 3} layered crystals

    Energy Technology Data Exchange (ETDEWEB)

    Avram, C.N. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Gruia, A.S., E-mail: adigruia@yahoo.com [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Brik, M.G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Barb, A.M. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania)

    2015-12-01

    Calculations of the Cr{sup 3+} energy levels, spin-Hamiltonian parameters and vibrational spectra for the layered CrCl{sub 3} crystals are reported for the first time. The crystal field parameters and the energy level scheme were calculated in the framework of the Exchange Charge Model of crystal field. The spin-Hamiltonian parameters (zero-field splitting parameter D and g-factors) for Cr{sup 3+} ion in CrCl{sub 3} crystals were obtained using two independent techniques: i) semi-empirical crystal field theory and ii) density functional theory (DFT)-based model. In the first approach, the spin-Hamiltonian parameters were calculated from the perturbation theory method and the complete diagonalization (of energy matrix) method. The infrared (IR) and Raman frequencies were calculated for both experimental and fully optimized geometry of the crystal structure, using CRYSTAL09 software. The obtained results are discussed and compared with the experimental available data.

  18. Mass Spectrometry Identification of N-Chlorinated Dipeptides in Drinking Water.

    Science.gov (United States)

    Huang, Guang; Jiang, Ping; Li, Xing-Fang

    2017-04-04

    We report the identification of N-chlorinated dipeptides as chlorination products in drinking water using complementary high-resolution quadrupole time-of-flight (QTOF) and quadrupole ion-trap mass spectrometry techniques. First, three model dipeptides, tyrosylglycine (Tyr-Gly), tyrosylalanine (Tyr-Ala), and phenylalanylglycine (Phe-Gly), reacted with sodium hypochlorite, and these reaction solutions were analyzed by QTOF. N-Cl-Tyr-Gly, N,N-di-Cl-Tyr-Gly, N-Cl-Phe-Gly, N,N-di-Cl-Phe-Gly, N-Cl-Tyr-Ala, and N,N-di-Cl-Tyr-Ala were identified as the major products based on accurate masses, 35 Cl/ 37 Cl isotopic patterns, and MS/MS spectra. These identified N-chlorinated dipeptides were synthesized and found to be stable in water over 10 days except N,N-di-Cl-Phe-Gly. To enable sensitive detection of N-chlorinated dipeptides in authentic water, we developed a high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) method with multiple reaction monitoring (MRM) mode. N-Cl-Tyr-Gly, N,N-di-Cl-Tyr-Gly, N-Cl-Phe-Gly, N-Cl-Tyr-Ala, and N,N-di-Cl-Tyr-Ala along with their corresponding dipeptides were detected in authentic tap water samples. The dipeptides were clearly detected in the raw water, but the N-chlorinated dipeptides were at background levels. These results suggest that the N-chlorinated dipeptides are produced by chlorination. This study has identified N-chlorinated dipeptides as new disinfection byproducts in drinking water. The strategy developed in this study can be used to identify chlorination products of other peptides in drinking water.

  19. Interlaboratory study of the ion source memory effect in 36Cl accelerator mass spectrometry

    International Nuclear Information System (INIS)

    Pavetich, Stefan; Akhmadaliev, Shavkat; Arnold, Maurice; Aumaître, Georges; Bourlès, Didier; Buchriegler, Josef; Golser, Robin; Keddadouche, Karim; Martschini, Martin; Merchel, Silke; Rugel, Georg; Steier, Peter

    2014-01-01

    Highlights: • Long-term memory effect in negative ion sources investigated for chlorine isotopes. • Interlaboratory comparison of four up-to date negative ion sources. • Ion source improvement at DREAMS for minimization of long-term memory effect. • Long-term memory effect is the limitation for precise AMS data of volatile elements. • Findings to be considered for samples with highly variable ratios of 36 Cl/Cl and 129 I/I. - Abstract: Understanding and minimization of contaminations in the ion source due to cross-contamination and long-term memory effect is one of the key issues for accurate accelerator mass spectrometry (AMS) measurements of volatile elements. The focus of this work is on the investigation of the long-term memory effect for the volatile element chlorine, and the minimization of this effect in the ion source of the Dresden accelerator mass spectrometry facility (DREAMS). For this purpose, one of the two original HVE ion sources at the DREAMS facility was modified, allowing the use of larger sample holders having individual target apertures. Additionally, a more open geometry was used to improve the vacuum level. To evaluate this improvement in comparison to other up-to-date ion sources, an interlaboratory comparison had been initiated. The long-term memory effect of the four Cs sputter ion sources at DREAMS (two sources: original and modified), ASTER (Accélérateur pour les Sciences de la Terre, Environnement, Risques) and VERA (Vienna Environmental Research Accelerator) had been investigated by measuring samples of natural 35 Cl/ 37 Cl-ratio and samples highly-enriched in 35 Cl ( 35 Cl/ 37 Cl ∼ 999). Besides investigating and comparing the individual levels of long-term memory, recovery time constants could be calculated. The tests show that all four sources suffer from long-term memory, but the modified DREAMS ion source showed the lowest level of contamination. The recovery times of the four ion sources were widely spread between

  20. Blind deconvolution of time-of-flight mass spectra from atom probe tomography

    International Nuclear Information System (INIS)

    Johnson, L.J.S.; Thuvander, M.; Stiller, K.; Odén, M.; Hultman, L.

    2013-01-01

    A major source of uncertainty in compositional measurements in atom probe tomography stems from the uncertainties of assigning peaks or parts of peaks in the mass spectrum to their correct identities. In particular, peak overlap is a limiting factor, whereas an ideal mass spectrum would have peaks at their correct positions with zero broadening. Here, we report a method to deconvolute the experimental mass spectrum into such an ideal spectrum and a system function describing the peak broadening introduced by the field evaporation and detection of each ion. By making the assumption of a linear and time-invariant behavior, a system of equations is derived that describes the peak shape and peak intensities. The model is fitted to the observed spectrum by minimizing the squared residuals, regularized by the maximum entropy method. For synthetic data perfectly obeying the assumptions, the method recovered peak intensities to within ±0.33at%. The application of this model to experimental APT data is exemplified with Fe–Cr data. Knowledge of the peak shape opens up several new possibilities, not just for better overall compositional determination, but, e.g., for the estimation of errors of ranging due to peak overlap or peak separation constrained by isotope abundances. - Highlights: • A method for the deconvolution of atom probe mass spectra is proposed. • Applied to synthetic randomly generated spectra the accuracy was ±0.33 at. • Application of the method to an experimental Fe–Cr spectrum is demonstrated

  1. Sub-threshold excited Cl Kβ (K-V) x-ray fluorescence from CF3Cl molecule

    International Nuclear Information System (INIS)

    Perera, R.C.C.; Cowan, P.L.; Lindle, D.W.; LaVilla, R.E.

    1987-10-01

    With the availability of tunable synchrotron radiation sources, unoccupied molecular orbits (below vacuum level) can be selectively populated producing highly excited neutral molecules. X-ray fluorescence spectra from molecules were obtained with excitation below the ionization threshold and were observed to have significant intensity changes, absolute and relative energy position shifts and line width changes as compared to fluorescence spectra excited above the threshold. As an example, the Cl Kβ (K-V) emission spectra from CF 3 Cl vapor are presented. The energy shifts and intensity changes are explained in terms of perturbation effects due to the presence of an electron in an unoccupied molecular orbital. The narrow line widths obtained in the spectra excited below threshold are explained in terms of the ''effective'' hole production region in a core state limited by the broadening of the unoccupied level. The change in line widths as a function of below-threshold excitation energy is proposed as a novel technique to study the localized properties and reorganization effects of a hole in a core level. 10 refs., 4 figs., 1 tab

  2. Excited state mass spectra of doubly heavy Ξ baryons

    Energy Technology Data Exchange (ETDEWEB)

    Shah, Zalak; Rai, Ajay Kumar [Sardar Vallabhbhai National Institute of Technology, Department of Applied Physics, Surat, Gujarat (India)

    2017-02-15

    In this paper, the mass spectra are obtained for doubly heavy Ξ baryons, namely, Ξ{sub cc}{sup +}, Ξ{sub cc}{sup ++}, Ξ{sub bb}{sup -}, Ξ{sub bb}{sup 0}, Ξ{sub bc}{sup 0} and Ξ{sub bc}{sup +}. These baryons consist of two heavy quarks (cc, bb, and bc) with a light (d or u) quark. The ground, radial, and orbital states are calculated in the framework of the hypercentral constituent quark model with Coulomb plus linear potential. Our results are also compared with other predictions, thus, the average possible range of excited states masses of these Ξ baryons can be determined. The study of the Regge trajectories is performed in (n, M{sup 2}) and (J, M{sup 2}) planes and their slopes and intercepts are also determined. Lastly, the ground state magnetic moments of these doubly heavy baryons are also calculated. (orig.)

  3. Authentication of Fish Products by Large-Scale Comparison of Tandem Mass Spectra

    DEFF Research Database (Denmark)

    Wulff, Tune; Nielsen, Michael Engelbrecht; Deelder, André M.

    2013-01-01

    Authentication of food is a major concern worldwide to ensure that food products are correctly labeled in terms of which animals are actually processed for consumption. Normally authentication is based on species recognition by comparison of selected sequences of DNA or protein. We here present...... a new robust, proteome-wide tandem mass spectrometry method for species recognition and food product authentication. The method does not use or require any genome sequences or selection of tandem mass spectra but uses all acquired data. The experimental steps were performed in a simple, standardized...

  4. Similarity of High-Resolution Tandem Mass Spectrometry Spectra of Structurally Related Micropollutants and Transformation Products

    Science.gov (United States)

    Schollée, Jennifer E.; Schymanski, Emma L.; Stravs, Michael A.; Gulde, Rebekka; Thomaidis, Nikolaos S.; Hollender, Juliane

    2017-12-01

    High-resolution tandem mass spectrometry (HRMS2) with electrospray ionization is frequently applied to study polar organic molecules such as micropollutants. Fragmentation provides structural information to confirm structures of known compounds or propose structures of unknown compounds. Similarity of HRMS2 spectra between structurally related compounds has been suggested to facilitate identification of unknown compounds. To test this hypothesis, the similarity of reference standard HRMS2 spectra was calculated for 243 pairs of micropollutants and their structurally related transformation products (TPs); for comparison, spectral similarity was also calculated for 219 pairs of unrelated compounds. Spectra were measured on Orbitrap and QTOF mass spectrometers and similarity was calculated with the dot product. The influence of different factors on spectral similarity [e.g., normalized collision energy (NCE), merging fragments from all NCEs, and shifting fragments by the mass difference of the pair] was considered. Spectral similarity increased at higher NCEs and highest similarity scores for related pairs were obtained with merged spectra including measured fragments and shifted fragments. Removal of the monoisotopic peak was critical to reduce false positives. Using a spectral similarity score threshold of 0.52, 40% of related pairs and 0% of unrelated pairs were above this value. Structural similarity was estimated with the Tanimoto coefficient and pairs with higher structural similarity generally had higher spectral similarity. Pairs where one or both compounds contained heteroatoms such as sulfur often resulted in dissimilar spectra. This work demonstrates that HRMS2 spectral similarity may indicate structural similarity and that spectral similarity can be used in the future to screen complex samples for related compounds such as micropollutants and TPs, assisting in the prioritization of non-target compounds. [Figure not available: see fulltext.

  5. Interplay of intra-atomic and interatomic effects: An investigation of the 2p core level spectra of atomic Fe and molecular FeCl2

    International Nuclear Information System (INIS)

    Richter, T.; Wolff, T.; Zimmermann, P.; Godehusen, K.; Martins, M.

    2004-01-01

    The 2p photoabsorption and photoelectron spectra of atomic Fe and molecular FeCl 2 were studied by photoion and photoelectron spectroscopy using monochromatized synchrotron radiation and atomic or molecular beam technique. The atomic spectra were analyzed with configuration interaction calculations yielding excellent agreement between experiment and theory. For the analysis of the molecular photoelectron spectrum which shows pronounced interatomic effects, a charge transfer model was used, introducing an additional 3d 7 configuration. The resulting good agreement between the experimental and theoretical spectrum and the remarkable similarity of the molecular with the corresponding spectrum in the solid phase opens a way to a better understanding of the interplay of the interatomic and intra-atomic interactions in the 2p core level spectra of the 3d metal compounds

  6. Evidence of mass exchange between inside and outside of sonoluminescing bubble in aqueous solution of terbium chloride

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Jinfu, E-mail: liang.shi2007@163.com [School of Physics and Electronic Science, Guizhou Normal University, Guiyang 550001 (China); Chen, Weizhong, E-mail: wzchen@nju.edu.cn [The Key Laboratory of Modern Acoustics, Ministry of Education, Institution of Acoustics, Nanjing University, Nanjing 210093 (China); Wang, Xun; Yang, Jing; Chen, Zhan [The Key Laboratory of Modern Acoustics, Ministry of Education, Institution of Acoustics, Nanjing University, Nanjing 210093 (China)

    2016-12-16

    Highlights: • Time-resolved spectra of SBSL were obtained for Tb{sup 3+} ions emission lines. • Mass exchange between inside and outside of SL bubble was probed via Tb{sup 3+} ions lines. • The argon rectification hypothesis was tested by time-resolved spectra of SBSL. • The rate of mass exchange inside an SBSL bubble increases with increasing sound pressure. - Abstract: Spectra of single-bubble sonoluminescence (SBSL) were obtained for Tb{sup 3+} ions emission lines from bubbles in an aqueous solution of terbium chloride (TbCl{sub 3}). The spectra provide experimental evidence to prove that an air bubble driven by strong ultrasound will not eventually become a rectified pure argon bubble, which is not as predicted by the argon rectification hypothesis. The time-resolved spectra of SBSL show a mass exchange of material such as Tb{sup 3+} ions between the inside and outside of the bubble. With increasing sound pressure, the rate of mass exchange and the SBSL intensity increases.

  7. Electroweak symmetry breaking and mass spectra in six-dimensional gauge-Higgs grand unification

    Science.gov (United States)

    Hosotani, Yutaka; Yamatsu, Naoki

    2018-02-01

    The mass spectra of the standard model particles are reproduced in the SO(11) gauge-Higgs grand unification in six-dimensional warped space without introducing exotic light fermions. Light neutrino masses are explained by the gauge-Higgs seesaw mechanism. We evaluate the effective potential of the four-dimensional Higgs boson appearing as a fluctuation mode of the Aharonov-Bohm phase θ_H in the extra-dimensional space, and show that the dynamical electroweak symmetry breaking takes place with the Higgs boson mass m_H ˜ 125 GeV and θ_H ˜ 0.1. The Kaluza-Klein mass scale in the fifth dimension is approximately given by m_KK ˜ 1.230 TeV/sin θ_H.

  8. Action spectroscopy of SrCl{sup +} using an integrated ion trap time-of-flight mass spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Puri, Prateek, E-mail: teek24@ucla.edu; Schowalter, Steven J.; Hudson, Eric R. [Department of Physics and Astronomy, University of California, Los Angeles, California 90095 (United States); Kotochigova, Svetlana; Petrov, Alexander [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States)

    2014-07-07

    The photodissociation cross-section of SrCl{sup +} is measured in the spectral range of 36 000–46 000 cm{sup −1} using a modular time-of-flight mass spectrometer (TOF-MS). By irradiating a sample of trapped SrCl{sup +} molecular ions with a pulsed dye laser, X{sup 1}Σ{sup +} state molecular ions are electronically excited to the repulsive wall of the A{sup 1}Π state, resulting in dissociation. Using the TOF-MS, the product fragments are detected and the photodissociation cross-section is determined for a broad range of photon energies. Detailed ab initio calculations of the SrCl{sup +} molecular potentials and spectroscopic constants are also performed and are found to be in good agreement with experiment. The spectroscopic constants for SrCl{sup +} are also compared to those of another alkaline earth halogen, BaCl{sup +}, in order to highlight structural differences between the two molecular ions. This work represents the first spectroscopy and ab initio calculations of SrCl{sup +}.

  9. Separation of CsCl and SrCl_2 from a ternary CsCl-SrCl_2-LiCl via a zone refining process for waste salt minimization of pyroprocessing

    International Nuclear Information System (INIS)

    Shim, Moonsoo; Choi, Ho Gil; Yi, Kyung Woo; Hwang, Il Soon; Lee, Jong Hyeon

    2016-01-01

    The purification of LiCl salt mixture has traditionally been carried out by a melt crystallization process. To improve the throughput of zone refining, three heaters were installed in the zone refiner. The zone refining method was used to grow pure LiCl salt ingots from LiCl-CsCl-SrCl_2 salt mixture. The main investigated parameters were the heater speed and the number of passes. A change in the LiCl crystal grain size was observed according to the horizontal direction. From each zone refined salt ingot, samples were collected horizontally. To analyze the concentrations of Sr and Cs, an inductively coupled plasma optical emission spectrometer and inductively coupled plasma mass spectrometer were used, respectively. The experimental results show that Sr and Cs concentrations at the initial region of the ingot were low and reached their peak at the final freezing region of the salt ingot. Concentration results of zone refined salt were compared with theoretical results yielded by the proposed model to validate its predictions. The k_e_f_f of Sr and Cs were 0.13 and 0.11, respectively. The decontamination factors of Sr and Cs were 450 and 1650, respectively. - Highlights: • The LiCl-CsCl-SrCl_2 salt ingot was purified by zone refining technique to minimize waste salt. • The concentration distribution of Cs and Sr were analyzed by mass transfer equation. • The decontamination factors of Cs and Sr were 1600 and 450 respectively in case of 60% of recovery yield.

  10. Atmospheric proton and deuterium energy spectra determination with the MASS2 experiment

    Energy Technology Data Exchange (ETDEWEB)

    Grimani, C.; Brunetti, M.T.; Codino, A.; Finetti, N. [Perugia Univ. (Italy)]|[INFN, Perugia (Italy); Papini, P.; Massimo Brancaccio, F. [Florence Univ. (Italy)]|[INFN, Florence (Italy); Basini, G.; Bongiorno, F. [INFN, Laboratori Nazionali di Frascati, Rome (Italy); Golden, R.L. [New Mexico State Univ., Las Cruces, NM (United States). Particle Astrophysics Lab.; Hof, M. [Siegen Univ. (Germany). Fachbereich Physik

    1995-09-01

    The energy spectra of atmospheric-secondary protons and deuterium nuclei have been measured during the September 23, 1991, balloon flight of the NMSU/Wizard - MASS2 instrument. The apparatus was launched from Fort Sumner, New Mexico. The geomagnetic cutoff at the launch site is about 4.5 GV/c. The instrument was flown for 9.8 hours at an altitude of over 100,000 feet. Particles detected below the geomagnetic cutoff have been produced mainly by the interactions of the primary cosmic rays with the atmosphere. The measurement of cosmic ray energy spectra below the geomagnetic cutoff provide direct insights into the particle production mechanism and allows comparison to atmospheric cascade calculations.

  11. Improved 36Cl performance at the ASTER HVE 5 MV accelerator mass spectrometer national facility

    International Nuclear Information System (INIS)

    Finkel, R.; Arnold, M.; Aumaître, G.; Benedetti, L.; Bourlès, D.; Keddadouche, K.; Merchel, S.

    2013-01-01

    The HVE 5 MV ASTER AMS national facility at CEREGE was accepted in 2007. Since then we have continued to optimize performance for 36 Cl. Cl-36 analyses use AgCl, a Cs negative ion sputter source, Ar stripping to +5 in the terminal of the Tandetron™ accelerator at 5 MV and a silicon nitride post-acceleration stripper foil to enhance suppression of 36 S relative to 36 Cl. The major challenges to obtaining the desired performance for Earth science applications are ion source memory, mass fractionation effects, 36 S isobar suppression and sensitivity. Redesign of the SO110 ion source by HVE to change the size of the aperture and the shape of cathode significantly reduced ion source memory to less than ∼0.1%, a level that can be compensated for by matching standards to samples. We observe small systematic drifts in 35 Cl/ 37 Cl ratios over time, the source of which is not yet determined. Measurement of standards indicates that this effect limits the precision of 35 Cl/ 37 Cl ratio determination to about 2%. 36 S is suppressed in several ways. First, the sample chemistry has been designed to reduce S to low levels. Second, cathodes are constructed of low-S nickel, enabling direct target loading without the use of AgBr pre-packing. Third, a post-acceleration Si 3 N 4 stripper foil differentially absorbs energy from 36 Cl and 36 S. A subsequent electrostatic deflector is then able to suppress 36 S by a factor of ∼240 relative to 36 Cl. Differential energy loss in the detector further suppresses 36 S by about 10 −4 , for an overall suppression factor of 4 × 10 −7 . 36 S count rates are typically equivalent to a background 36 Cl/Cl of ∼10 −15 . At typical 35 Cl currents of ∼20 μA Cl 5+ samples with 36 Cl/ 35 Cl of 6 × 10 −14 can be measured to ±5% statistical uncertainty with 1 h of analysis time. Typical machine blanks have 36 Cl/Cl ∼2 × 10 −15 .

  12. SYSTEMATIC UNCERTAINTIES IN BLACK HOLE MASSES DETERMINED FROM SINGLE-EPOCH SPECTRA

    International Nuclear Information System (INIS)

    Denney, Kelly D.; Peterson, Bradley M.; Dietrich, Matthias; Bentz, Misty C.; Vestergaard, Marianne

    2009-01-01

    We explore the nature of systematic errors that can arise in measurement of black hole masses from single-epoch (SE) spectra of active galactic nuclei (AGNs) by utilizing the many epochs available for NGC 5548 and PG1229+204 from reverberation mapping (RM) databases. In particular, we examine systematics due to AGN variability, contamination due to constant spectral components (i.e., narrow lines and host galaxy flux), data quality (i.e., signal-to-noise ratio (S/N)), and blending of spectral features. We investigate the effect that each of these systematics has on the precision and accuracy of SE masses calculated from two commonly used line width measures by comparing these results to recent RM studies. We calculate masses by characterizing the broad Hβ emission line by both the full width at half maximum and the line dispersion, and demonstrate the importance of removing narrow emission-line components and host starlight. We find that the reliability of line width measurements rapidly decreases for S/N lower than ∼ 10-20 (per pixel), and that fitting the line profiles instead of direct measurement of the data does not mitigate this problem but can, in fact, introduce systematic errors. We also conclude that a full spectral decomposition to deblend the AGN and galaxy spectral features is unnecessary, except to judge the contribution of the host galaxy to the luminosity and to deblend any emission lines that may inhibit accurate line width measurements. Finally, we present an error budget which summarizes the minimum observable uncertainties as well as the amount of additional scatter and/or systematic offset that can be expected from the individual sources of error investigated. In particular, we find that the minimum observable uncertainty in SE mass estimates due to variability is ∼ 20 pixel -1 ) spectra.

  13. Spectroscopic study of the charge-transfer complexes TiCl4/styrene and TiCl4/polystyrene

    Science.gov (United States)

    Gonçalves, Norberto S.; Noda, Lúcia. K.

    2017-10-01

    In this work, solutions of TiCl4/styrene and TiCl4/polystyrene charge-transfer complexes in CHCl3 or CDCl3 were investigated by UV-vis, resonance Raman and 1H NMR spectroscopies in order to study their molecular and electronic structures. Both show a yellow colour due to absorption in the 400 nm region, related to a charge-transfer transition. In Raman spectra, as the excitation approaches the resonance region, the primary enhancement of aromatic ring modes was mainly observed, rather than intensification of the vinylic double-bond stretch. Under the experimental conditions it was observed that formation of polystyrene takes place, as showed by 1H NMR spectra, and the most significant interaction occurs at the aromatic ring, as supported by the results from interaction of TiCl4 with polystyrene, as indicated by the charge-transfer band and resonant intensification of the aromatic ring modes.

  14. Negative ion mass spectra and particulate formation in rf silane plasma deposition experiments

    International Nuclear Information System (INIS)

    Howling, A.A.; Dorier, J.L.; Hollenstein, C.

    1992-09-01

    Negative ions have been clearly identified in silane rf plasmas used for the deposition of amorphous silicon. Mass spectra were measured for monosilicon up to pentasilicon negative ion radical groups in power-modulated plasmas by means of a mass spectrometer mounted just outside the glow region. Negative ions were only observed over a limited range of power modulation frequency which corresponds to particle-free conditions. The importance of negative ions regarding particulate formation is demonstrated and commented upon. (author) 3 figs., 19 refs

  15. Molecular structure and vibrational spectra of MHal3 (M = Sc, Y, La, Lu; Hal = F, Cl, Br, I): ab initio calculations by the CISD+Q method

    International Nuclear Information System (INIS)

    Solomonik, V.G.; Marochko, O.Yu.

    2000-01-01

    Structure and vibrational spectra of MHal 3 molecules (M = Sc, Y, La, Lu; Hal = F, Cl, Br, I) are studied by the CISD+Q method. It is ascertained that equilibrium configuration of nuclei in all the molecules, except LaF 3 , is plane (D 3h symmetry), while that of LaF 3 molecule - pyramidal (C 3c symmetry). Results of the calculations are compared with previously published experimental data. Band reference in IR spectra of ScBr 3 , YF 3 and YCl 3 molecules has been corrected [ru

  16. Atmospheric pressure chemical ionization of fluorinated phenols in atmospheric pressure chemical ionization mass spectrometry, tandem mass spectrometry, and ion mobility spectrometry

    Science.gov (United States)

    Eiceman, G. A.; Bergloff, J. F.; Rodriguez, J. E.; Munro, W.; Karpas, Z.

    1999-01-01

    Atmospheric pressure chemical ionization (APCI)-mass spectrometry (MS) for fluorinated phenols (C6H5-xFxOH Where x = 0-5) in nitrogen with Cl- as the reagent ion yielded product ions of M Cl- through ion associations or (M-H)- through proton abstractions. Proton abstraction was controllable by potentials on the orifice and first lens, suggesting that some proton abstraction occurs through collision induced dissociation (CID) in the interface region. This was proven using CID of adduct ions (M Cl-) with Q2 studies where adduct ions were dissociated to Cl- or proton abstracted to (M-H)-. The extent of proton abstraction depended upon ion energy and structure in order of calculated acidities: pentafluorophenol > tetrafluorophenol > trifluorophenol > difluorophenol. Little or no proton abstraction occurred for fluorophenol, phenol, or benzyl alcohol analogs. Ion mobility spectrometry was used to determine if proton abstraction reactions passed through an adduct intermediate with thermalized ions and mobility spectra for all chemicals were obtained from 25 to 200 degrees C. Proton abstraction from M Cl- was not observed at any temperature for phenol, monofluorophenol, or difluorophenol. Mobility spectra for trifluorophenol revealed the kinetic transformations to (M-H)- either from M Cl- or from M2 Cl- directly. Proton abstraction was the predominant reaction for tetra- and penta-fluorophenols. Consequently, the evidence suggests that proton abstraction occurs from an adduct ion where the reaction barrier is reduced with increasing acidity of the O-H bond in C6H5-xFxOH.

  17. Interlaboratory study of the ion source memory effect in {sup 36}Cl accelerator mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Pavetich, Stefan, E-mail: s.pavetich@hzdr.de [Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstraße 400, 01314 Dresden (Germany); Akhmadaliev, Shavkat [Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstraße 400, 01314 Dresden (Germany); Arnold, Maurice; Aumaître, Georges; Bourlès, Didier [Aix-Marseille Université, CEREGE CNRS-IRD, F-13545 Aix-en-Provence (France); Buchriegler, Josef [Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstraße 400, 01314 Dresden (Germany); University of Vienna, Faculty of Physics, VERA Laboratory, Währingerstraße 17, 1090 Vienna (Austria); Golser, Robin [University of Vienna, Faculty of Physics, VERA Laboratory, Währingerstraße 17, 1090 Vienna (Austria); Keddadouche, Karim [Aix-Marseille Université, CEREGE CNRS-IRD, F-13545 Aix-en-Provence (France); Martschini, Martin [University of Vienna, Faculty of Physics, VERA Laboratory, Währingerstraße 17, 1090 Vienna (Austria); Merchel, Silke; Rugel, Georg [Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstraße 400, 01314 Dresden (Germany); Steier, Peter [University of Vienna, Faculty of Physics, VERA Laboratory, Währingerstraße 17, 1090 Vienna (Austria)

    2014-06-01

    Highlights: • Long-term memory effect in negative ion sources investigated for chlorine isotopes. • Interlaboratory comparison of four up-to date negative ion sources. • Ion source improvement at DREAMS for minimization of long-term memory effect. • Long-term memory effect is the limitation for precise AMS data of volatile elements. • Findings to be considered for samples with highly variable ratios of {sup 36}Cl/Cl and {sup 129}I/I. - Abstract: Understanding and minimization of contaminations in the ion source due to cross-contamination and long-term memory effect is one of the key issues for accurate accelerator mass spectrometry (AMS) measurements of volatile elements. The focus of this work is on the investigation of the long-term memory effect for the volatile element chlorine, and the minimization of this effect in the ion source of the Dresden accelerator mass spectrometry facility (DREAMS). For this purpose, one of the two original HVE ion sources at the DREAMS facility was modified, allowing the use of larger sample holders having individual target apertures. Additionally, a more open geometry was used to improve the vacuum level. To evaluate this improvement in comparison to other up-to-date ion sources, an interlaboratory comparison had been initiated. The long-term memory effect of the four Cs sputter ion sources at DREAMS (two sources: original and modified), ASTER (Accélérateur pour les Sciences de la Terre, Environnement, Risques) and VERA (Vienna Environmental Research Accelerator) had been investigated by measuring samples of natural {sup 35}Cl/{sup 37}Cl-ratio and samples highly-enriched in {sup 35}Cl ({sup 35}Cl/{sup 37}Cl ∼ 999). Besides investigating and comparing the individual levels of long-term memory, recovery time constants could be calculated. The tests show that all four sources suffer from long-term memory, but the modified DREAMS ion source showed the lowest level of contamination. The recovery times of the four ion

  18. Mass spectra in N = 1 SQCD with additional colorless but flavored fields

    Energy Technology Data Exchange (ETDEWEB)

    Chernyak, Victor L. [Budker Institute of Nuclear Physics, Novosibirsk (Russian Federation); Novosibirsk State University, Novosibirsk (Russian Federation)

    2017-01-15

    Considered is the N = 1 supersymmetric QCD-like Φ-theory with SU(N{sub c}) colors and 0 < N{sub F} < 2N{sub c} flavors of light quarks Q{sup i}{sub a}, Q{sup a}{sub j} with equal small masses. In addition to quarks and gluons of the standard N = 1 SQCD, it includes N{sup 2}{sub F} colorless but flavored fields Φ{sub i}{sup j}, with the large mass parameter μ{sub Φ} >> Λ{sub Q} (Λ{sub Q} is the scale factor of the gauge coupling), interacting with quarks through the Yukawa coupling in the superpotential. The mass spectra of this (direct) Φ-theory are first directly calculated in all vacua with the unbroken or spontaneously broken flavor symmetry U(N{sub F}) → U(n{sub 1}) x U(n{sub 2}) at 0 < N{sub F} < N{sub c}, in which case this theory is logarithmically weakly coupled. Further, the mass spectra of both, this direct Φ-theory and its Seiberg's dual variant with SU(N{sub F}-N{sub c}) dual colors, the dΦ-theory, are calculated at 3N{sub c}/2 < N{sub F} < 2N{sub c} and at various values of μ{sub Φ} (in strong coupling regimes with coupling constants O(1)), now using the dynamical scenario introduced by the author in his previous article (Chernyak in JETP 114:61, arXiv:0811.4283 [hep-th], 2012). This scenario assumes that quarks in this case can be in two different standard phases only: either this is the HQ (heavy quark) phase with left angle Q{sup i}{sub a} right angle = 0 where they are confined, or they are higgsed with some components left angle Q{sup i}{sub a} right angle ≠ 0, at appropriate values of lagrangian parameters. It is shown that mass spectra of the direct Φ- and dual dΦ-theories are parametrically different, so that they are not equivalent. Besides it is shown in the direct Φ-theory that a qualitatively new phenomenon takes place: under appropriate conditions, the seemingly heavy and dynamically irrelevant fields Φ 'turn back' and there appear two additional generations of light Φ-particles with small masses

  19. Separation of CsCl and SrCl{sub 2} from a ternary CsCl-SrCl{sub 2}-LiCl via a zone refining process for waste salt minimization of pyroprocessing

    Energy Technology Data Exchange (ETDEWEB)

    Shim, Moonsoo [Graduate School of Energy Science and Technology, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon, 34134 (Korea, Republic of); Choi, Ho Gil; Yi, Kyung Woo; Hwang, Il Soon [Graduate School of Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826 (Korea, Republic of); Lee, Jong Hyeon, E-mail: jonglee@cnu.ac.kr [Graduate School of Energy Science and Technology, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon, 34134 (Korea, Republic of); Graduate School of Department of Advanced Materials Engineering, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon, 34134 (Korea, Republic of); Rapid Solidified Materials Research Center, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon, 34134 (Korea, Republic of)

    2016-11-15

    The purification of LiCl salt mixture has traditionally been carried out by a melt crystallization process. To improve the throughput of zone refining, three heaters were installed in the zone refiner. The zone refining method was used to grow pure LiCl salt ingots from LiCl-CsCl-SrCl{sub 2} salt mixture. The main investigated parameters were the heater speed and the number of passes. A change in the LiCl crystal grain size was observed according to the horizontal direction. From each zone refined salt ingot, samples were collected horizontally. To analyze the concentrations of Sr and Cs, an inductively coupled plasma optical emission spectrometer and inductively coupled plasma mass spectrometer were used, respectively. The experimental results show that Sr and Cs concentrations at the initial region of the ingot were low and reached their peak at the final freezing region of the salt ingot. Concentration results of zone refined salt were compared with theoretical results yielded by the proposed model to validate its predictions. The k{sub eff} of Sr and Cs were 0.13 and 0.11, respectively. The decontamination factors of Sr and Cs were 450 and 1650, respectively. - Highlights: • The LiCl-CsCl-SrCl{sub 2} salt ingot was purified by zone refining technique to minimize waste salt. • The concentration distribution of Cs and Sr were analyzed by mass transfer equation. • The decontamination factors of Cs and Sr were 1600 and 450 respectively in case of 60% of recovery yield.

  20. Evolution of organic aerosol mass spectra upon heating: implications for OA phase and partitioning behavior

    Energy Technology Data Exchange (ETDEWEB)

    UC Davis; Cappa, Christopher D.; Wilson, Kevin R.

    2010-10-28

    Vacuum Ultraviolet (VUV) photoionization mass spectrometry has been used to measure the evolution of chemical composition for two distinct organic aerosol types as they are passed through a thermodenuder at different temperatures. The two organic aerosol types considered are primary lubricating oil (LO) aerosol and secondary aerosol from the alpha-pinene + O3 reaction (alphaP). The evolution of the VUV mass spectra for the two aerosol types with temperature are observed to differ dramatically. For LO particles, the spectra exhibit distinct changes with temperature in which the lower m/z peaks, corresponding to compounds with higher vapor pressures, disappear more rapidly than the high m/z peaks. In contrast, the alphaP aerosol spectrum is essentially unchanged by temperature even though the particles experience significant mass loss due to evaporation. The variations in the LO spectra are found to be quantitatively in agreement with expectations from absorptive partitioning theory whereas the alphaP spectra suggest that the evaporation of alphaP derived aerosol appears to not be governed by partitioning theory. We postulate that this difference arises from the alphaP particles existing as in a glassy state instead of having the expected liquid-like behavior. To reconcile these observations with decades of aerosol growth measurements, which indicate that OA formation is described by equilibrium partitioning, we present a conceptual model wherein the secondary OA is formed and then rapidly converted from an absorbing form to a non-absorbing form. The results suggest that although OA growth may be describable by equilibrium partitioning theory, the properties of organic aerosol once formed may differ significantly from the properties determined in the equilibrium framework.

  1. Interpretation of laser desorption mass spectra of unexpected inorganic species found in a cosmetic sample of forensic interest: fingernail polish.

    Science.gov (United States)

    O'Neill, Emily; Harrington, Danielle; Allison, John

    2009-08-01

    When analytes containing color are irradiated with a pulsed UV laser in the ion source of a mass spectrometer, molecules such as dyes or pigments absorb energy, resulting in their desorption and ionization. This method, laser desorption mass spectrometry (LDMS), has been used successfully to analyze colorants of forensic interest in a wide variety of materials. Here, we present and interpret the most complex of such spectra obtained to date from a sample of fingernail polish. Interpretation of the spectrum provides a unique opportunity to characterize the laser desorption mass spectra of some unexpected inorganic materials found in cosmetics, such as "broken glass", cyanide compounds, and heavy metals. Also, the possibility of a useful forensic database of LDMS spectra of fingernail polishes is considered.

  2. Search for resonance structures in inclusive charged pion spectra from p-barp annihilation at rest

    International Nuclear Information System (INIS)

    Angelopoulos, A.; Apostolakis, A.; Papaelias, P.

    1985-01-01

    The charged pion momentum spectra from p-barp annihilation at rest have been measured with high statistics. A search for structures finds four narrow lines which are identified with the absorption and decay processes of kaons stopping in the target. Limits of 1-6 x 10 -4 /p-bar (90% C.L.) are placed on the yield of a narrow state in the mass range 1000--1660 MeV

  3. Cluster Analysis of the Organic Peaks in Bulk Mass Spectra Obtained During the 2002 New England Air Quality Study with an Aerodyne Aerosol Mass Spectrometer

    Science.gov (United States)

    Marcolli, C.; Canagaratna, M. R.; Worsnop, D. R.; Bahreini, R.; de Gouw, J. A.; Warneke, C.; Goldan, P. D.; Kuster, W. C.; Williams, E. J.; Lerner, B. M.; Roberts, J. M.; Meagher, J. F.; Fehsenfeld, F. C.; Marchewka, M.; Bertman, S. B.; Middlebrook, A. M.

    2006-12-01

    We applied hierarchical cluster analysis to an Aerodyne aerosol mass spectrometer (AMS) bulk mass spectral dataset collected aboard the NOAA research vessel R. H. Brown during the 2002 New England Air Quality Study off the east coast of the United States. Emphasizing the organic peaks, the cluster analysis yielded a series of categories that are distinguishable with respect to their mass spectra and their occurrence as a function of time. The differences between the categories mainly arise from relative intensity changes rather than from the presence or absence of specific peaks. The most frequent category exhibits a strong signal at m/z 44 and represents oxidized organic matter probably originating from both anthropogenic as well as biogenic sources. On the basis of spectral and trace gas correlations, the second most common category with strong signals at m/z 29, 43, and 44 contains contributions from isoprene oxidation products. The third through the fifth most common categories have peak patterns characteristic of monoterpene oxidation products and were most frequently observed when air masses from monoterpene rich regions were sampled. Taken together, the second through the fifth most common categories represent on average 17% of the total organic mass that stems likely from biogenic sources during the ship's cruise. These numbers have to be viewed as lower limits since the most common category was attributed to anthropogenic sources for this calculation. The cluster analysis was also very effective in identifying a few contaminated mass spectra that were not removed during pre-processing. This study demonstrates that hierarchical clustering is a useful tool to analyze the complex patterns of the organic peaks in bulk aerosol mass spectra from a field study.

  4. PepArML: A Meta-Search Peptide Identification Platform for Tandem Mass Spectra.

    Science.gov (United States)

    Edwards, Nathan J

    2013-12-01

    The PepArML meta-search peptide identification platform for tandem mass spectra provides a unified search interface to seven search engines; a robust cluster, grid, and cloud computing scheduler for large-scale searches; and an unsupervised, model-free, machine-learning-based result combiner, which selects the best peptide identification for each spectrum, estimates false-discovery rates, and outputs pepXML format identifications. The meta-search platform supports Mascot; Tandem with native, k-score and s-score scoring; OMSSA; MyriMatch; and InsPecT with MS-GF spectral probability scores—reformatting spectral data and constructing search configurations for each search engine on the fly. The combiner selects the best peptide identification for each spectrum based on search engine results and features that model enzymatic digestion, retention time, precursor isotope clusters, mass accuracy, and proteotypic peptide properties, requiring no prior knowledge of feature utility or weighting. The PepArML meta-search peptide identification platform often identifies two to three times more spectra than individual search engines at 10% FDR.

  5. Excited state mass spectra of singly charmed baryons

    Energy Technology Data Exchange (ETDEWEB)

    Shah, Zalak; Kumar Rai, Ajay [Sardar Vallabhbhai National Institute of Technology, Department of Applied Physics, Surat, Gujarat (India); Thakkar, Kaushal [GIDC Degree Engineering College, Department of Applied Sciences and Humanities, Abrama (India); Vinodkumar, P.C. [Sardar Patel University, Department of Physics, V.V. Nagar (India)

    2016-10-15

    Mass spectra of excited states of the singly charmed baryons are calculated using the hypercentral description of the three-body system. The baryons consist of a charm quark and light quarks (u, d and s) are studied in the framework of QCD motivated constituent quark model. The form of the confinement potential is hyper-Coloumb plus power potential with potential index ν, varying from 0.5 to 2.0. The first-order correction to the confinement potential is also incorporated in this approach. The radial as well as orbital excited state masses of Σ{sub c}{sup ++}, Σ{sub c}{sup +}, Σ{sub c}{sup 0}, Ξ{sub c}{sup +}, Ξ{sub c}{sup 0}, Λ{sub c}{sup +}, Ω{sub c}{sup 0} baryons, are reported in this paper. We have incorporated spin-spin, spin-orbit and tensor interactions perturbatively in the present study. The semi-electronic decay of Ω{sub c} and Ξ{sub c} are also calculated using the spectroscopic parameters of these baryons. The computed results are compared with other theoretical predictions as well as with the available experimental observations. We also construct the Regge trajectory in (n{sub r},M{sup 2}) and (J,M{sup 2}) planes for these baryons. (orig.)

  6. Mass spectrometric measurement of hydrogen isotope fractionation for the reactions of chloromethane with OH and Cl

    Directory of Open Access Journals (Sweden)

    F. Keppler

    2018-05-01

    Full Text Available Chloromethane (CH3Cl is an important provider of chlorine to the stratosphere but detailed knowledge of its budget is missing. Stable isotope analysis is a potentially powerful tool to constrain CH3Cl flux estimates. The largest degree of isotope fractionation is expected to occur for deuterium in CH3Cl in the hydrogen abstraction reactions with its main sink reactant tropospheric OH and its minor sink reactant Cl atoms. We determined the isotope fractionation by stable hydrogen isotope analysis of the fraction of CH3Cl remaining after reaction with hydroxyl and chlorine radicals in a 3.5 m3 Teflon smog chamber at 293 ± 1 K. We measured the stable hydrogen isotope values of the unreacted CH3Cl using compound-specific thermal conversion isotope ratio mass spectrometry. The isotope fractionations of CH3Cl for the reactions with hydroxyl and chlorine radicals were found to be −264±45 and −280±11 ‰, respectively. For comparison, we performed similar experiments using methane (CH4 as the target compound with OH and obtained a fractionation constant of −205±6 ‰ which is in good agreement with values previously reported. The observed large kinetic isotope effects are helpful when employing isotopic analyses of CH3Cl in the atmosphere to improve our knowledge of its atmospheric budget.

  7. Variety identification of wheat using mass spectrometry with neural networks and the influence of mass spectra processing prior to neural network analysis

    DEFF Research Database (Denmark)

    Sørensen, Helle Aagaard; Sperotto, Maria Maddalena; Petersen, M.

    2002-01-01

    The performance of matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry with neural networks in wheat variety classification is further evaluated.(1) Two principal issues were studied: (a) the number of varieties that could be classified correctly; and (b) various means of....... With the final method, it was possible to classify 30 wheat varieties with 87% correctly classified mass spectra and a correlation coefficient of 0.90....

  8. The Effect of Stellar Contamination on Transmission Spectra of Low-mass Exoplanets

    Science.gov (United States)

    Rackham, Benjamin V.; Apai, Daniel; Giampapa, Mark S.

    2017-10-01

    of small exoplanets, including those of the TRAPPIST-1 system. Constraining stellar contamination will likely be a limiting factor for detecting atmospheric features in transmission spectra of low-mass exoplanets around late-type stars from TESS.

  9. Geena 2, improved automated analysis of MALDI/TOF mass spectra.

    Science.gov (United States)

    Romano, Paolo; Profumo, Aldo; Rocco, Mattia; Mangerini, Rosa; Ferri, Fabio; Facchiano, Angelo

    2016-03-02

    Mass spectrometry (MS) is producing high volumes of data supporting oncological sciences, especially for translational research. Most of related elaborations can be carried out by combining existing tools at different levels, but little is currently available for the automation of the fundamental steps. For the analysis of MALDI/TOF spectra, a number of pre-processing steps are required, including joining of isotopic abundances for a given molecular species, normalization of signals against an internal standard, background noise removal, averaging multiple spectra from the same sample, and aligning spectra from different samples. In this paper, we present Geena 2, a public software tool for the automated execution of these pre-processing steps for MALDI/TOF spectra. Geena 2 has been developed in a Linux-Apache-MySQL-PHP web development environment, with scripts in PHP and Perl. Input and output are managed as simple formats that can be consumed by any database system and spreadsheet software. Input data may also be stored in a MySQL database. Processing methods are based on original heuristic algorithms which are introduced in the paper. Three simple and intuitive web interfaces are available: the Standard Search Interface, which allows a complete control over all parameters, the Bright Search Interface, which leaves to the user the possibility to tune parameters for alignment of spectra, and the Quick Search Interface, which limits the number of parameters to a minimum by using default values for the majority of parameters. Geena 2 has been utilized, in conjunction with a statistical analysis tool, in three published experimental works: a proteomic study on the effects of long-term cryopreservation on the low molecular weight fraction of serum proteome, and two retrospective serum proteomic studies, one on the risk of developing breat cancer in patients affected by gross cystic disease of the breast (GCDB) and the other for the identification of a predictor of

  10. Mass spectra and wave functions of meson systems and the covariant oscillator quark model as an expansion basis

    International Nuclear Information System (INIS)

    Oda, Ryuichi; Ishida, Shin; Wada, Hiroaki; Yamada, Kenji; Sekiguchi, Motoo

    1999-01-01

    We examine mass spectra and wave functions of the nn-bar, cc-bar and bb-bar meson systems within the framework of the covariant oscillator quark model with the boosted LS-coupling scheme. We solve nonperturbatively an eigenvalue problem for the squared-mass operator, which incorporates the four-dimensional color-Coulomb-type interaction, by taking a set of covariant oscillator wave functions as an expansion basis. We obtain mass spectra of these meson systems, which reproduce quite well their experimental behavior. The resultant manifestly covariant wave functions, which are applicable to analyses of various reaction phenomena, are given. Our results seem to suggest that the present model may be considered effectively as a covariant version of the nonrelativistic linear-plus-Coulomb potential quark model. (author)

  11. Cluster Analysis of the Organic Peaks in Bulk Mass Spectra Obtained During the 2002 New England Air Quality Study with an Aerodyne Aerosol Mass Spectrometer

    Directory of Open Access Journals (Sweden)

    C. Marcolli

    2006-01-01

    Full Text Available We applied hierarchical cluster analysis to an Aerodyne aerosol mass spectrometer (AMS bulk mass spectral dataset collected aboard the NOAA research vessel R. H. Brown during the 2002 New England Air Quality Study off the east coast of the United States. Emphasizing the organic peaks, the cluster analysis yielded a series of categories that are distinguishable with respect to their mass spectra and their occurrence as a function of time. The differences between the categories mainly arise from relative intensity changes rather than from the presence or absence of specific peaks. The most frequent category exhibits a strong signal at m/z 44 and represents oxidized organic matter probably originating from both anthropogenic as well as biogenic sources. On the basis of spectral and trace gas correlations, the second most common category with strong signals at m/z 29, 43, and 44 contains contributions from isoprene oxidation products. The third through the fifth most common categories have peak patterns characteristic of monoterpene oxidation products and were most frequently observed when air masses from monoterpene rich regions were sampled. Taken together, the second through the fifth most common categories represent on average 17% of the total organic mass that stems likely from biogenic sources during the ship's cruise. These numbers have to be viewed as lower limits since the most common category was attributed to anthropogenic sources for this calculation. The cluster analysis was also very effective in identifying a few contaminated mass spectra that were not removed during pre-processing. This study demonstrates that hierarchical clustering is a useful tool to analyze the complex patterns of the organic peaks in bulk aerosol mass spectra from a field study.

  12. Reactions UF4 - ClO2F and UF5 - ClO2F

    International Nuclear Information System (INIS)

    Benoit, Raymond; Besnard, Ginette; Hartmanshenn, Olivier; Luce, Michel; Mougin, Jacques; Pelissie, Jean

    1970-02-01

    The study of the reaction UF 4 - ClO 2 F between 0 deg. and 100 deg. C, by various techniques (micro-sublimation, isopiestic method, IR and UV spectrography, thermogravimetry and X-ray diffraction) shows that intermediate steps are possible before the production of UF 5 . The whole reaction may be schematised by two equations: (1) n UF 4 + ClO 2 F → n UF x + ClO 2 (4 4 + ClO 2 F → UF x + 1/2 Cl 2 + O 2 . The more the temperature rises, the more the second equation becomes experimentally verified. The reaction at 0 deg. C between UF 5 and ClO 2 F may be represented by: UF 5 + ClO 2 F → UF 6 ClO 2 . The reactions: UF 5 + ClO 2 F → UF 6 + ClO 2 , UF 5 + ClO 2 F → UF 6 + 1/2 Cl 2 + O 2 are verified, the first and the second at 25 deg. C., the second from 50 deg. to 150 deg. C. From the results of AGRON it is possible to predict the residual solids before complete volatilization as UF 6 . The IR spectra of ClO 2 F adsorbed on UF 4 and UF x at 60 deg. C have been compared with those of gaseous ClO 2 F and UF 6 adsorbed on UF 4 . (authors) [fr

  13. An investigation of the mass spectra of secondary ions ejected from the single crystal surface of semiconductors

    International Nuclear Information System (INIS)

    Koval', A.G.; Mel'nikov, V.N.; Enukov, Yu.V.

    1976-01-01

    The mass spectra of secondary positive and negative ions, ejected by an Ar + ion beam from the (100) face of an epitaxial film of the semiconductor Alsub(x)Gasub(1-x)As were investigated. There are many various secondary ions in the mass spectrum under investigation. They may be divided into four groups according to their origins. Mass spectra of secondary positive and negative secondary ions differ much, either in their composition or the intensities of homogeneous ions. The I(T) dependences (I=the current of corresponding secondary ions, T=target temperature) were obtained for secondary and negative ions taken from groups differing by their origin. The I(T) dependences were obtained at several oxygen pressures in a chamber. For the ions with 'superficial' origin a strong dependence of their current on target temperature is observed. Oxygen pressure increase leads to substantial change of the I(T)curves. (Auth.)

  14. Improved mass resolution and mass accuracy in TOF-SIMS spectra and images using argon gas cluster ion beams.

    Science.gov (United States)

    Shon, Hyun Kyong; Yoon, Sohee; Moon, Jeong Hee; Lee, Tae Geol

    2016-06-09

    The popularity of argon gas cluster ion beams (Ar-GCIB) as primary ion beams in time-of-flight secondary ion mass spectrometry (TOF-SIMS) has increased because the molecular ions of large organic- and biomolecules can be detected with less damage to the sample surfaces. However, Ar-GCIB is limited by poor mass resolution as well as poor mass accuracy. The inferior quality of the mass resolution in a TOF-SIMS spectrum obtained by using Ar-GCIB compared to the one obtained by a bismuth liquid metal cluster ion beam and others makes it difficult to identify unknown peaks because of the mass interference from the neighboring peaks. However, in this study, the authors demonstrate improved mass resolution in TOF-SIMS using Ar-GCIB through the delayed extraction of secondary ions, a method typically used in TOF mass spectrometry to increase mass resolution. As for poor mass accuracy, although mass calibration using internal peaks with low mass such as hydrogen and carbon is a common approach in TOF-SIMS, it is unsuited to the present study because of the disappearance of the low-mass peaks in the delayed extraction mode. To resolve this issue, external mass calibration, another regularly used method in TOF-MS, was adapted to enhance mass accuracy in the spectrum and image generated by TOF-SIMS using Ar-GCIB in the delayed extraction mode. By producing spectra analyses of a peptide mixture and bovine serum albumin protein digested with trypsin, along with image analyses of rat brain samples, the authors demonstrate for the first time the enhancement of mass resolution and mass accuracy for the purpose of analyzing large biomolecules in TOF-SIMS using Ar-GCIB through the use of delayed extraction and external mass calibration.

  15. An EPR investigation of the dynamic Jahn-Teller effect in SrCl2:y(2 plus) and SrCl2:Sc(2 plus)

    Science.gov (United States)

    Herrington, J. R.; Estle, T. L.; Boatner, L. A.

    1972-01-01

    EPR spectra have been observed for SrCl2:Y(2+) and SrCl2:Sc(2+) at liquid helium temperatures. At 1.2 K the spectra were dominated by anisotropic hyperfine patterns whose lineshapes and angular dependences were explained using second order solutions of the effective Hamiltonian for an isolated 2Eg state split by large random internal strains. Pronounced asymmetries in some of the strin produced lineshapes for Srcl2:Sc(2+) are shown to result from second order terms in the solution of the effective Hamiltonian. Coexisting with the anisotropic hyperfine patterns are weak nearly isotropic hyperfine patterns with typical lineshapes. Variations in the apparent intensity of lines in these weak hyperfine patterns as functions of the applied magnetic field direction and temperature imply that these lines result from averaging by vibronic relaxation of a portion of the anisotropic pattern. The effective Hamiltonian parameters for SrCl2:La(2+), SrCl2:y(2+), and SrCl2:SC(2+) are analyzed in terms of crystal field theory modified to include a dynamic Jahn-Teller effect.

  16. Anomalous H/D isotope effect on 35Cl NQR frequencies and H/D isotope effect on 1H MAS NMR spectra in pyrrolidinium p-chlorobenzoate

    International Nuclear Information System (INIS)

    Nakano, Ryo; Honda, Hisashi; Nakata, Eiichi; Takamizawa, Satoshi; Noro, Sumiko; Kimura, Taiki; Kyo, Shin-shin; Ishimaru, Shin'ichi; Miyake, Ryosuke

    2010-01-01

    An anomalous isotope effect was observed in the 35 Cl NQR frequency of pyrrolidinium p-chlorobenzoate (C 4 H 8 NH 2 + ·ClC 6 H 4 COO - ) by deuterium substitution of hydrogen atoms which form two kinds of N-H...O type hydrogen bonds. Large negative frequency shifts of the 35 Cl resonance lines, reaching 309 kHz at 77 K and 267 kHz at 293 K, were obtained upon deuteration, although the Cl atom in the molecule formed no hydrogen bonds in the crystal. 1 H MAS NMR lines showed significant changes by the deuterium substitution, while in contrast, small shifts of 13 C CP/MAS NMR signals were obtained. Our measurements of 1 H NMR spin-lattice relaxation times (T 1 ) suggested that the H/D isotope shifts detected from the 35 Cl NQR frequencies and 1 H NMR spectra are due to structural changes rather than molecular dynamics. Single-crystal X-ray diffraction measurements showed two remarkable H/D isotope differences in the molecular arrangements, (1) the N-H length along the crystallographic a axis became 1 pm shorter, and (2) the dihedral angle between benzene and the pyrrolidine ring changed by 1.1(2)deg upon deuteration. Using density functional theory estimations, the anomalous 35 Cl NQR frequency shifts and 1 H MAS NMR line-shape changes could be explained by the dihedral angle change rather than the N-H length difference. (author)

  17. Photodetachment and UV-Vis spectral properties of Cl2rad -·nHO clusters: Extrapolation to bulk

    Science.gov (United States)

    Pathak, A. K.; Mukherjee, T.; Maity, D. K.

    2008-03-01

    Vertical detachment energy (VDE) and UV-Vis spectra of Cl2rad -·nHO clusters ( n = 1-11) are reported based on first principle electronic structure calculations. VDE of the hydrated clusters are calculated following second order Moller-Plesset perturbation (MP2) as well as coupled cluster theory with 6-311++G(d,p) set of basis function. The excess electron in these hydrated clusters is mainly localized over the solute Cl atoms. A linear relationship is obtained for VDE vs. ( n + 2.6) -1/3 and bulk VDE of Cl2rad - aqueous solution is calculated as 10.61 eV at CCSD(T) level of theory. UV-Vis spectra of these hydrated clusters are calculated applying CI with single electron (CIS) excitation procedure. Simulated UV-Vis spectra of Cl2rad -·10HO cluster is noted to be in excellent agreement with the reported spectra of Cl2rad - (aq) system, λmax for Cl2rad -·11HO system is calculated to be red shifted though.

  18. Reduction of chemical formulas from the isotopic peak distributions of high-resolution mass spectra.

    Science.gov (United States)

    Roussis, Stilianos G; Proulx, Richard

    2003-03-15

    A method has been developed for the reduction of the chemical formulas of compounds in complex mixtures from the isotopic peak distributions of high-resolution mass spectra. The method is based on the principle that the observed isotopic peak distribution of a mixture of compounds is a linear combination of the isotopic peak distributions of the individual compounds in the mixture. All possible chemical formulas that meet specific criteria (e.g., type and number of atoms in structure, limits of unsaturation, etc.) are enumerated, and theoretical isotopic peak distributions are generated for each formula. The relative amount of each formula is obtained from the accurately measured isotopic peak distribution and the calculated isotopic peak distributions of all candidate formulas. The formulas of compounds in simple spectra, where peak components are fully resolved, are rapidly determined by direct comparison of the calculated and experimental isotopic peak distributions. The singular value decomposition linear algebra method is used to determine the contributions of compounds in complex spectra containing unresolved peak components. The principles of the approach and typical application examples are presented. The method is most useful for the characterization of complex spectra containing partially resolved peaks and structures with multiisotopic elements.

  19. A Raman spectroscopic study of the structural aspects of K2MgCl4 and Cs2MgCl4 as solid single crystals and molten salts

    International Nuclear Information System (INIS)

    Brooker, M.H.

    1975-01-01

    Polarized Raman spectra have been obtained for oriented single crystals of K 2 MgCl 4 and Cs 2 MgCl 4 at 77 and 298 K. The data are in excellent agreement with factor group analyses based on the space groups I 4 /mmm (D 17 4 /subh/) and Pnma (D 16 2 /subh/) for the K 2 MgCl 4 and Cs 2 MgCl 4 crystals. In K 2 MgCl 4 the magnesium is surrounded by six chloride ions in a distorted octahedral arrangement with a network structure such that neighboring octahedra share corners. In Cs 2 MgCl 4 a discrete tetrahedral MgCl 4 2- species is present. The 35 Cl-- 37 Cl isotopic splitting of the symmetric stetching mode of the tetrahedral MgCl 4 2- species has been resolved at 77 K and is similar to that observed for CCl 4 . Raman spectra for the high temperature solids and molten salts suggest that the coordination number of magnesium changes from six in solid K 2 MgCl 4 to four in the melt, whereas Cs 2 MgCl 4 melts with retention of the MgCl 4 2- tetrahedral complex. Additional evidence is presented to support previous reports that the MgCl 4 2- tetrahedral species is the principal complex ion in the melts, although a fraction of the magnesium appears to be present in a polynuclear complex, perhaps Mg 2 Cl 6 2-

  20. Bayesian model comparison using Gauss approximation on multicomponent mass spectra from CH4 plasma

    International Nuclear Information System (INIS)

    Kang, H.D.; Dose, V.

    2004-01-01

    We performed Bayesian model comparison on mass spectra from CH4 rf process plasmas to detect radicals produced in the plasma. The key ingredient for its implementation is the high-dimensional evidence integral. We apply Gauss approximation to evaluate the evidence. The results were compared with those calculated by the thermodynamic integration method using Markov Chain Monte Carlo technique. In spite of very large difference in the computation time between two methods a very good agreement was obtained. Alternatively, a Monte Carlo integration method based on the approximated Gaussian posterior density is presented. Its applicability to the problem of mass spectrometry is discussed

  1. Cluster models of aqueous Na{sup +} and Cl{sup -} in sea water/ice

    Energy Technology Data Exchange (ETDEWEB)

    Michelsen, R.; Walker, R. [Randolph-Macon College, Department of Chemistry (United States); Shillady, D., E-mail: quantummechanicsllc@msn.com [Virginia Commonwealth University, Department of Chemistry (United States)

    2012-10-15

    In this article, we present finite cluster models of aqueous solutes [NaCl(H{sub 2}O){sub 10}, NaCl(H{sub 2}O){sub 5}, and (H{sub 2}O){sub 6}] in terms of molecular geometry and vibrational spectra for interpretation of experimental infrared spectra of NaCl brine solutions. The quantum chemistry program GAMESS is used to optimize the model clusters to a local minimum energy gradient of less than 5.0d-6 hartrees/bohr with B3LYP in a gaussian basis of 6-31G(d,p). Harmonic frequencies are computed for comparison with the infrared spectra measured by attenuated total reflection of a temperature-controlled Ge plate under a layer of cold brine solution. The motivation for this research is to understand the mechanism by which freezing seawater excludes halide ions (mainly Cl{sup -}) and why the O-H stretching region of the spectra changes with temperature. Frost flowers, sea ice, and snow in marine environments contain concentrated halides in liquid brine at their surfaces which lead to catalytic destruction of low-altitude ozone in the polar regions of the Earth.

  2. Measurement of cosmogenic 36Cl/Cl in young volcanic rocks: An application of accelerator mass spectrometry in geochronology

    International Nuclear Information System (INIS)

    Leavy, B.D.; Phillips, F.M.; Elmore, D.; Kubik, P.W.

    1987-01-01

    We have measured 36 Cl/Cl ratios in a number of young volcanic rocks in order to test the feasibility of using 36 Cl buildup as a geochronometer for materials less than about 700,000 years old. All of the analyzed rocks have been dated independently using K-Ar or other radiometric dating methods and have exposure histories that are known or can be reasonably assumed. Measured 36 Cl/Cl ratios in these rocks are in good agreement with the calculated in-situ 36 Cl buildup curve. These analyses indicate that AMS measurement of 36 Cl buildup in young rocks is a potentially powerful new method for dating materials that had previously been undatable, and as such will have broad applications in volcanology, tectonics, geophysics, and Quaternary research

  3. Approaches towards the automated interpretation and prediction of electrospray tandem mass spectra of non-peptidic combinatorial compounds.

    Science.gov (United States)

    Klagkou, Katerina; Pullen, Frank; Harrison, Mark; Organ, Andy; Firth, Alistair; Langley, G John

    2003-01-01

    Combinatorial chemistry is widely used within the pharmaceutical industry as a means of rapid identification of potential drugs. With the growth of combinatorial libraries, mass spectrometry (MS) became the key analytical technique because of its speed of analysis, sensitivity, accuracy and ability to be coupled with other analytical techniques. In the majority of cases, electrospray mass spectrometry (ES-MS) has become the default ionisation technique. However, due to the absence of fragment ions in the resulting spectra, tandem mass spectrometry (MS/MS) is required to provide structural information for the identification of an unknown analyte. This work discusses the first steps of an investigation into the fragmentation pathways taking place in electrospray tandem mass spectrometry. The ultimate goal for this project is to set general fragmentation rules for non-peptidic, pharmaceutical, combinatorial compounds. As an aid, an artificial intelligence (AI) software package is used to facilitate interpretation of the spectra. This initial study has focused on determining the fragmentation rules for some classes of compound types that fit the remit as outlined above. Based on studies carried out on several combinatorial libraries of these compounds, it was established that different classes of drug molecules follow unique fragmentation pathways. In addition to these general observations, the specific ionisation processes and the fragmentation pathways involved in the electrospray mass spectra of these systems were explored. The ultimate goal will be to incorporate our findings into the computer program and allow identification of an unknown, non-peptidic compound following insertion of its ES-MS/MS spectrum into the AI package. The work herein demonstrates the potential benefit of such an approach in addressing the issue of high-throughput, automated MS/MS data interpretation. Copyright 2003 John Wiley & Sons, Ltd.

  4. Factor analysis of combined organic and inorganic aerosol mass spectra from high resolution aerosol mass spectrometer measurements

    Directory of Open Access Journals (Sweden)

    Y. L. Sun

    2012-09-01

    Full Text Available Positive matrix factorization (PMF was applied to the merged high resolution mass spectra of organic and inorganic aerosols from aerosol mass spectrometer (AMS measurements to investigate the sources and evolution processes of submicron aerosols in New York City in summer 2009. This new approach is able to study the distribution of organic and inorganic species in different types of aerosols, the acidity of organic aerosol (OA factors, and the fragment ion patterns related to photochemical processing. In this study, PMF analysis of the unified AMS spectral matrix resolved 8 factors. The hydrocarbon-like OA (HOA and cooking OA (COA factors contain negligible amounts of inorganic species. The two factors that are primarily ammonium sulfate (SO4-OA and ammonium nitrate (NO3-OA, respectively, are overall neutralized. Among all OA factors the organic fraction of SO4-OA shows the highest degree of oxidation (O/C = 0.69. Two semi-volatile oxygenated OA (OOA factors, i.e., a less oxidized (LO-OOA and a more oxidized (MO-OOA, were also identified. MO-OOA represents local photochemical products with a diurnal profile exhibiting a pronounced noon peak, consistent with those of formaldehyde (HCHO and Ox(= O3 + NO2. The NO+/NO2+ ion ratio in MO-OOA is much higher than that in NO3-OA and in pure ammonium nitrate, indicating the formation of organic nitrates. The nitrogen-enriched OA (NOA factor contains ~25% of acidic inorganic salts, suggesting the formation of secondary OA via acid-base reactions of amines. The size distributions of OA factors derived from the size-resolved mass spectra show distinct diurnal evolving behaviors but overall a progressing evolution from smaller to larger particle mode as the oxidation degree of OA increases. Our results demonstrate that PMF analysis of the unified aerosol mass spectral matrix which contains both

  5. Formation of new halogenothiocarbonylsulfenyl halides, XC(S)SY, through photochemical matrix reactions starting from CS2 and a dihalogen molecule XY (XY=Cl2, Br2, or BrCl).

    Science.gov (United States)

    Tobón, Yeny A; Romano, Rosana M; Védova, Carlos O Della; Downs, Anthony J

    2007-05-28

    Isolation of a dihalogen molecule XY (XY=Cl2, Br2, or BrCl) with CS2 in a solid Ar matrix at about 15 K leads, by broad-band UV-vis photolysis (200spectra of the matrices. In addition to the familiar species SCCl2, ClCS*, Cl*...SCS, CCl4, *CCl3, :CCl2, SCl2, SCBr2, CBr4, *CBr3, BrC(S)Cl, BrCCl3, and :CBrCl, the following new molecules have also been identified as products of the various photoreactions: syn-ClC(S)SCl, anti-ClC(S)SCl, syn-BrC(S)SBr, anti-BrC(S)SBr, syn-ClC(S)SBr, anti-ClC(S)SBr, syn-BrC(S)SCl, anti-BrC(S)SCl, ClC(S)S*, BrCS*, and Br*...SCS. The IR spectra of these hitherto unknown species have been interpreted with reference to the predictions of ab initio (HF and MP2) and density functional theory (DFT) calculations. The results are analyzed in relation to the reaction pathways accessed by matrix photolysis.

  6. UV-VIS absorption spectra of molten AgCl and AgBr and of their mixtures with group I and II halide salts

    Energy Technology Data Exchange (ETDEWEB)

    Greening, Giorgio G.W. [Technische Universitaet Darmstadt (Germany). Eduard-Zintl-Institut fuer Anorganische und Physikalische Chemie

    2015-07-01

    The UV-VIS absorption spectra of (Ag{sub 1-X}[Li-Cs, Ba]{sub X})Cl and of (Ag{sub 1-X}[Na, K, Cs]{sub X})Br at 823 K at the concentrations X=0.0, 0.1, 0.2 have been measured. The findings show that on adding the respective halides to molten silver chloride and silver bromide, shifts of the fundamental absorption edge to shorter wavelengths result. A correlation between the observed shifts and the expansion of the silver sub-lattice is found, which is valid for both silver halide systems studied in this work.

  7. Chemometric analysis of mass spectra of cis and trans fatty acid picolinyl esters

    DEFF Research Database (Denmark)

    Leth, Torben

    1997-01-01

    and trans fatty acids of C16:1, C18:1,n-9, C18:1,n-12, C18:2 and C22:1 in two- and three-dimensional score plots. With Soft Independent Modelling of Class Analogy (SIMCA), it is possible to calculate models that can predict from the mass spectra of unknown fatty acids whether they are of the cis or trans...... configuration, which is demonstrated for C18:1 trans from hardened margarine and butter....

  8. Mass spectra and fusion cross sections for 20Ne+24Mg interaction at 55 and 85 MeV

    International Nuclear Information System (INIS)

    Grotowski, K.; Belery, P.; Delbar, T.; El Masri, Y.; Gregoire, G.; Janssens, R.; Vervier, J.; Paic, G.; Albinska, M.; Albinski, J.; Kopta, S.; Kozik, T.; Planeta, R.

    1981-01-01

    Inclusive γ spectra from the 20 Ne+ 24 Mg interaction have been measured using 55- and 85-MeV 20 Ne ions. The identification of γ lines allows the determination of mass spectra in the region 12< or =A< or =43. Experimental results are compared with statistical model calculations. The total reaction and fusion cross sections are extracted. Cross sections for inelastic scattering, few nucleon transfers, and deep inelastic scattering are estimated

  9. Characterization of rust layer formed on Fe, Fe-Ni and Fe-Cr alloys exposed to Cl-rich environment by Cl and Fe K-edge XANES measurements

    International Nuclear Information System (INIS)

    Konishi, Hiroyuki; Mizuki, Jun'ichiro; Yamashita, Masato; Uchida, Hitoshi

    2005-01-01

    Chloride in atmosphere considerably reduces the corrosion resistance of conventional weathering steel containing a small amount of Cr. Ni is an effective anticorrosive element for improving the corrosion resistance of steel in a Cl-rich environment. In order to clarify the structure of the protective rust layer of weathering steel, Cl and Fe K-edge X-ray absorption near edge structure (XANES) spectra of atmospheric corrosion products (rust) formed on Fe, Fe-Ni and Fe-Cr alloys exposed to Cl-rich atmosphere were measured. The Fe K-XANES measurements enable the characterization of mixture of iron oxides such as rust. The chemical composition of the rust was determined by performing pattern fitting of the measured spectra. All the rust is composed mainly of goethite, akaganeite, lepidocrocite and magnetite. Among these iron oxides, akaganeite in particular is the major component in the rust. Additionally, the amount of akaganeite in the rust of Fe-Ni alloy is much greater than that in rust of Fe-Cr alloy. Akaganeite is generally considered to facilitate the corrosion of steel, but our results indicate that akaganeite in the rust of Fe-Ni alloy is quantitatively different from that in rust of Fe-Cr alloy and does not facilitate the corrosion of steel. The shoulder peak observed in Cl K-XANES spectra reveals that the rust contains a chloride other than akaganeite. The energy of the shoulder peak does not correspond to that of any well-known chlorides. In the measured spectra, there is no proof that Cl, by combining with the alloying element, inhibits the alloying element from acting in corrosion resistance. The shoulder peak appears only when the content of the alloying element is lower than a certain value. This suggests that the generation of the unidentified chloride is related to the corrosion rate of steel. (author)

  10. Improvement of pre-treatment method for 36Cl/Cl measurement of Cl in natural groundwater by AMS

    International Nuclear Information System (INIS)

    Nakata, Kotaro; Hasegawa, Takuma

    2011-01-01

    Estimation of 36 Cl/Cl by accelerator mass spectrometry (AMS) is a useful method to trace hydrological processes in groundwater. For accurate estimation, separation of SO 4 2- from Cl - in groundwater is required because 36 S affects AMS measurement of 36 Cl. Previous studies utilized the difference in solubility between BaSO 4 and BaCl 2 (BaSO 4 method) to chemically separate SO 4 2- from Cl - . However, the accuracy of the BaSO 4 method largely depends on operator skill, and consequently Cl - recovery is typically incomplete (70-80%). In addition, the method is time consuming (>1 week), and cannot be applied directly to dilute solutions. In this study, a method based on ion-exchange column chromatography (column method) was developed for separation of Cl - and SO 4 2- . Optimum conditions were determined for the diameter and height of column, type and amount of resin, type and concentration of eluent, and flow rate. The recovery of Cl - was almost 100%, which allowed complete separation from SO 4 2- . The separation procedure was short ( 4 methods, and then analyzed by AMS to estimate 36 S counts and 36 Cl/Cl values. 36 S counts in samples processed by the column method were stable and lower than those from the BaSO 4 method. The column method has the following advantages over the BaSO 4 method: (1) complete and stable separation of Cl - and SO 4 2- , (2) less operator influence on results, (3) short processing time ( - , and (5) concentration of Cl - and separation from SO 4 2- in the one system for dilute solutions.

  11. Excited state mass spectra of doubly heavy baryons Ω{sub cc}, Ω{sub bb} and Ω{sub bc}

    Energy Technology Data Exchange (ETDEWEB)

    Shah, Zalak; Rai, Ajay Kumar [Sardar Vallabhbhai National Institute of Technology, Department of Applied Physics, Surat, Gujarat (India); Thakkar, Kaushal [GIDC Degree Engineering college, Department of Applied Sciences and Humanities, Abrama, Navsari (India)

    2016-10-15

    We discuss the mass spectrum of Ω baryon with two heavy quarks and one light quark (ccs, bbs, and bcs). The main goal of the paper is to calculate the ground state masses and after that, the positive and negative parity excited states masses are also obtained within a hypercentral constituent quark model, using Coulomb plus linear potential framework. We also added a first order correction to the potential. The mass spectra up to 5S for radial excited states and 1P-5P, 1D-4D, and 1F-2F states for orbital excited states are computed for Ω{sub cc}, Ω{sub bb} and Ω{sub bc} baryons. Our obtained results are compared with other theoretical predictions, which could be a useful complementary tool for the interpretation of experimentally unknown heavy baryon spectra. The Regge trajectory is constructed in both the (n{sub r}, M{sup 2}) and the (J, M{sup 2}) planes for Ω{sub cc}, Ω{sub bb} and Ω{sub bc} baryons and their slopes and intercepts are also determined. Magnetic moments of doubly heavy Ω{sup '}s are also calculated. (orig.) 8.

  12. Despina Hatzifotiadou: ALICE Master Class 4 - Demonstration of the software for the 2nd part of the exercise - invariant mass spectra - background subtraction and calculation of number of Kaons, Lambdas, antiLambdas.

    CERN Multimedia

    CERN. Geneva

    2016-01-01

    This is the 4th of 4 short online videos. It contains a demonstration of the software for the 2nd part of the exercise, related to invariant mass spectra - background subtraction and calculation of number of Kaons, Lambdas, antiLambdas. More details and related links on this indico event page. In more detail: What is Physics Master Classes Students after morning lectures, run programmes in the afternoon to do measurements. These tutorials are about how to use the software required to do these measurements. Background info and examples  Looking for strange particles with ALICE http://aliceinfo.cern.ch/Public/MasterCL/MasterClassWebpage.html Introduction to first part of the exercise : what are strange particles, V0 decays, invariant mass. Demonstration of the software for the 1st part of the exercise - visual identification of V0s Introduction to second part of the exercise : strangeness enhancement; centrality of lead-lead collisions; explanation of efficiency, yield, background etc Demonstr...

  13. Electronic absorption bands of HoCl3 and SmCl3 complexes in alcohols

    International Nuclear Information System (INIS)

    Ramesh Babu, V.; Buddhudu, S.; Rangarajan, V.N.

    1987-01-01

    The normal absorption and second derivative spectra of ten alcoholic complexes of HoCl 3 and SmCl 3 were recorded. From the observed bands, energies and intensity values were measured. To fit in these measured values with the theoretical values, a set of spectroscopic parameters namely, Judd-Ofelt (T 2 , T 4 , T 6 ), intensity (Ω 2 , Ω 4 , Ω 6 ) had been computed. A good fit of intensities was obtained between the experimental and theoretical data. The environmental influences on the intensities of the hypersensitive transitions of Sm(III) and Ho(III) ions were found to be noteworthy. (author). 7 tables, 20 refs

  14. The vibrational spectra of some tetrachlorides in rare gas matrices with particular reference to the molecular shapes of ThCl4 and UCl4

    International Nuclear Information System (INIS)

    Arthers, S.A.; Beattie, I.R.

    1984-01-01

    Infrared spectra of tin, lead, hafnium, thorium, and uranium tetrachlorides isolated in inert gas matrices are reported. The results obtained for the tin, lead, and hafnium compounds follow the expected isotope patterns for a tetrahedral molecule except for the observation of additional weak features to high frequency of the all- 35 Cl isotopomers. By contrast for thorium tetrachloride the observed spectrum is not characteristic of a Tsub(d) molecule but can be fitted to a species with Csub(2v) symmetry. Similar results (although less detailed) were obtained for uranium tetrachloride. (author)

  15. Raman spectra of zirconium tetrachloride in molten and evaporational states

    International Nuclear Information System (INIS)

    Salyuev, A.B.; Kornyakova, I.D.

    1994-01-01

    For the first time raman spectra of ZrCl 4 are obtained in the temperature range of its existence in molten state as well as in vapors near the critical point. It is shown, that rupture of zigzag chains is taking place when ZrCl 4 is melting

  16. Null-plane formulation of Bethe-Salpeter qqq dynamics: Baryon mass spectra

    International Nuclear Information System (INIS)

    Kulshreshtha, D.S.; Mitra, A.N.

    1988-01-01

    The Bethe-Salpeter (BS) equation for a qqq system is formulated in the null-plane approximation (NPA) for the BS wave function, as a direct generalization of a corresponding QCD-motivated formalism developed earlier for qq-bar systems. The confinement kernel is assumed vector type (γ/sub μ//sup (1)/γ/sub μ//sup (2)/) for both qq-bar and qq pairs, with identical harmonic structures, and with the spring constant proportional, among other things, to the running coupling constant α/sub s/ (for an explicit QCD motivation). The harmonic kernel is given a suitable Lorentz-invariant definition [not D'Alembertian 2 δ 4 (q)], which is amenable to NPA reduction in a covariant form. The reduced qqq equation in NPA is solved algebraically in a six-dimensional harmonic-oscillator (HO) basis, using the techniques of SO(2,1) algebra interlinked with S 3 symmetry. The results on the nonstrange baryon mass spectra agree well with the data all the way up to N = 6, thus confirming the asymptotic prediction M∼N/sup 2/3/ characteristic of vector confinement in HO form. There are no extra parameters beyond the three basic constants (ω 0 ,C 0 ,m/sub u//sub d/) which were earlier found to provide excellent fits to meson spectra (qq-bar)

  17. Optical properties of NbCl5 and ZnMg intercalated graphite compounds

    International Nuclear Information System (INIS)

    Jung, Eilho; Lee, Seokbae; Roh, Seulki; Kang, Jihoon; Park, Tuson; Hwang, Jungseek; Meng, Xiuqing; Tongay, Sefaattin

    2014-01-01

    We studied NbCl 5 and ZnMg alloy intercalated graphite compounds using an optical spectroscopy technique. These intercalated metallic graphite samples were quite challenging to obtain optical reflectance spectra since they were not flat and quite thin. By using both a new method and an in situ gold evaporation technique we were able to obtain reliable reflectance spectra of our samples in the far and mid infrared range (80–7000 cm −1 ). We extracted the optical constants including the optical conductivity and the dielectric function from the measured reflectance spectra using a Kramers–Kronig analysis. We also extracted the dc conductivity and the plasma frequencies from the optical conductivity and dielectric functions. NbCl 5 intercalated graphite samples show similar optical conductivity spectra as bare highly oriented pyrolytic graphite even though there are some differences in detail. ZnMg intercalated samples show significantly different optical conductivity spectra from the bare graphite. Optical spectroscopy is one of the most reliable experimental techniques to obtain the electronic band structures of materials. The obtained optical conductivities support the recent theoretically calculated electronic band structures of NbCl 5 and ZnMg intercalated graphite compounds. Our results also provide important information of electronic structures and charge carrier properties of these two new intercalated materials for applications. (paper)

  18. One-dimensional power spectrum and neutrino mass in the spectra of BOSS

    International Nuclear Information System (INIS)

    Borde, Arnaud

    2014-01-01

    The framework of the studies presented in this thesis is the one-dimensional power spectrum of the transmitted flux in the Lyman-alpha forests. The Lyman-alpha forest is an absorption pattern seen in the spectra of high redshift quasars corresponding to the absorption of the quasar light by the hydrogen clouds along the line of sight. It is a powerful cosmological tool as it probes relatively small scales, of the order of a few Mpc. It is also sensible to small non-linear effects such as the one induced by massive neutrinos. First, we have developed two independent methods to measure the one-dimensional power spectrum of the transmitted flux in the Lyman-alpha forest. The first method is based on a Fourier transform, and the second on a maximum likelihood estimator. The two methods are independent and have different systematic uncertainties. The determination of the noise level in the data spectra was subject to a novel treatment, because of its significant impact on the derived power spectrum. We applied the two methods to 13,821 quasar spectra from SDSS-III/BOSS DR9 selected from a larger sample of over 60,000 spectra on the basis of their high quality, large signal-to-noise ratio, and good spectral resolution. The power spectra measured using either approach are in good agreement over all twelve redshift bins from =2.2 to =4.4, and scales from 0.001 (km/s)"-"1 to 0.02 (km/s)"-"1. We carefully determined the methodological and instrumental systematic uncertainties of our measurements. Then, we present a suite of cosmological N-body simulations with cold dark matter, baryons and neutrinos aiming at modeling the low-density regions of the IGM as probed by the Lyman-alpha forests at high redshift. The simulations are designed to match the requirements imposed by the quality of BOSS and eBOSS data. They are made using either 768"3 or 192"3 particles of each type, spanning volumes ranging from (25 Mpc/h)"3 for high-resolution simulations to (100 Mpc/h)"3 for large

  19. Evaluation by mass fragmentography of metabolic pathways of endogenous and exogenous compounds in eukaryote cell cultures

    International Nuclear Information System (INIS)

    Padieu, P.; Maume, B.F.

    1977-01-01

    Carbon-14 labelled compounds in cell cultures are used to establish the interconnections between different metabolic pathways as well as the competitive action of effectors on these different pathways. Analysis was performed by the GC-MS combination. Identification was carried out by comparison with the mass spectra of d9-TMS, 35 Cl-TMS and 37 Cl-TMS derivatizations of the culture extracts. Examples are given of the metabolic study of hormonal steroids and of safrale, a carcinogenic compound, by differentiated eukaryotic cells in cultures from the rat

  20. Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether

    Energy Technology Data Exchange (ETDEWEB)

    Boda, Łukasz, E-mail: lboda@chemia.uj.edu.pl; Boczar, Marek; Gług, Maciej; Wójcik, Marek J. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków (Poland)

    2015-11-28

    Interaction energies, molecular structure and vibrational frequencies of the binary complex formed between H(D)Cl and dimethyl ether have been obtained using quantum-chemical methods. Equilibrium and vibrationally averaged structures, harmonic and anharmonic wavenumbers of the complex and its deuterated isotopomer were calculated using harmonic and anharmonic second-order perturbation theory procedures with Density Functional Theory B3LYP and B2PLYP-D and ab initio Møller-Plesset second-order methods, and a 6-311++G(3d,3p) basis set. A phenomenological model describing anharmonic-type vibrational couplings within hydrogen bonds was developed to explain the unique broadening and fine structure, as well as the isotope effect of the Cl–H and Cl–D stretching IR absorption bands in the gaseous complexes with dimethyl ether, as an effect of hydrogen bond formation. Simulations of the rovibrational structure of the Cl–H and Cl–D stretching bands were performed and the results were compared with experimental spectra.

  1. Analysis of COSIMA spectra: Bayesian approach

    Directory of Open Access Journals (Sweden)

    H. J. Lehto

    2015-06-01

    secondary ion mass spectrometer (TOF-SIMS spectra. The method is applied to the COmetary Secondary Ion Mass Analyzer (COSIMA TOF-SIMS mass spectra where the analysis can be broken into subgroups of lines close to integer mass values. The effects of the instrumental dead time are discussed in a new way. The method finds the joint probability density functions of measured line parameters (number of lines, and their widths, peak amplitudes, integrated amplitudes and positions. In the case of two or more lines, these distributions can take complex forms. The derived line parameters can be used to further calibrate the mass scaling of TOF-SIMS and to feed the results into other analysis methods such as multivariate analyses of spectra. We intend to use the method, first as a comprehensive tool to perform quantitative analysis of spectra, and second as a fast tool for studying interesting targets for obtaining additional TOF-SIMS measurements of the sample, a property unique to COSIMA. Finally, we point out that the Bayesian method can be thought of as a means to solve inverse problems but with forward calculations, only with no iterative corrections or other manipulation of the observed data.

  2. Efficiency and yield spectra of inorganic scintillates

    International Nuclear Information System (INIS)

    Rodnyi, P.A.

    1998-01-01

    Recent developments in the field of energy loss in inorganic scintillators are reviewed. The main parameters, which control the fundamental limit of the scintillator energy efficiency, are determined. It is shown that together with simple cascade processes one should take into account the production of plasmons to estimate the energy efficiency of scintillators or other phosphors excited by an ionizing radiation. Core-to-valence luminescence related to 5pCs→3pCl transitions is investigated in some chlorides: CsCl, KCl, RbCl, NaCl, KCaCl 3 , RbCaCl 3 . The yield spectra of the crystals in the VUV and X-ray regions are also studied. It is shown that the 4pRb-core states are involved in the process of creation of holes in the 5pCs-core band in Rb-based crystals. The formation of holes in the potassium core band acts as a competing process and suppresses the radiative core-to-valence transitions

  3. Structural characterization of ZnCl2 modified tellurite based glasses

    Science.gov (United States)

    Dhankhar, Sunil; Kundu, R. S.; Punia, R.; Sunita, Parmar, R.; Sanjay, Kishore, N.

    2016-05-01

    Glass composition 70 TeO2-(30-x) BaO - x ZnCl2; x = 5, 10, 15, 20 and 25 have been prepared by rapid melt quenching technique under controlled atmospheric conditions. Amorphous nature of the samples was confirmed by x-ray diffractogram. The glass transition temperature (Tg) has been determined using differential scanning calorimetry (DSC) and its value is observed to decrease with increase in ZnCl2 content. The peaks in the Raman and FTIR spectra have been estimated by deconvolutation of the spectra and each of deconvoluted spectra exhibits several peaks. IR and Raman spectra of the present glass system indicate that TeO2 exists as TeO3 trigonal pyramidal (tp), TeO4 trigonal bipyramidal (tbp) and TeO6 polyhedra structural units. With increase in zinc halide content, transformation of some of TeO4 structural units into TeO3 structural units is observed Increase in TeO3 structural units shows that non-bridging oxygen contribution increases which confirms the decrease in glass transition temperature.

  4. Softening and re-hardening of hadron transverse mass spectra in relativistic heavy-ion collisions

    International Nuclear Information System (INIS)

    Isse, M.; Otuka, N.; Ohnishi, A.; Sahu, P.K.; Nara, Y.

    2002-01-01

    At RHIC experiments, started at 2000, the data obtained recently seem to exhibit QGP formation, but the conclusion is not drawn yet. Here, we pay out attention to the collective motion at hadronic freeze-out as an evidence of QGP formation. The transverse mass spectra may show softening to re-hardening with increasing incident energy. We compare simulated results obtained in JAM' - a hadronic cascade model - with experimental data, and discuss weather the QGP is formed or not. (author)

  5. Analysis of steranes and triterpanes in geolipid extracts by automatic classification of mass spectra

    Science.gov (United States)

    Wardroper, A. M. K.; Brooks, P. W.; Humberston, M. J.; Maxwell, J. R.

    1977-01-01

    A computer method is described for the automatic classification of triterpanes and steranes into gross structural type from their mass spectral characteristics. The method has been applied to the spectra obtained by gas-chromatographic/mass-spectroscopic analysis of two mixtures of standards and of hydrocarbon fractions isolated from Green River and Messel oil shales. Almost all of the steranes and triterpanes identified previously in both shales were classified, in addition to a number of new components. The results indicate that classification of such alkanes is possible with a laboratory computer system. The method has application to diagenesis and maturation studies as well as to oil/oil and oil/source rock correlations in which rapid screening of large numbers of samples is required.

  6. Deviation from the trans -Effect in Ligand-Exchange Reactions of Zeise’s Ions PtCl3(C2H4)- with Heavier Halides (Br, I- )

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Gao-Lei [Physical; Govind, Niranjan [Environmental; Xantheas, Sotiris S. [Advanced; Department; Wang, Xue-Bin [Physical

    2018-01-16

    Four new Zeise’s family ions with mixed-halide ligands, i.e., PtClnX3-n(C2H4)- (X = Br, I; n = 1, 2), were synthesized via ligand-exchange reactions of KX salts with KPtCl3(C2H4) in aqueous solutions, and were detected in vacuum via electrospray ionization mass spectrometry. Their photoelectron spectra reveal a series of well-resolved spectral peaks with their electron binding energies (EBEs) decreasing with increasing halide size, with I having a much stronger effect than Br, i.e., 4.57 (–Cl3) > 4.56 (–Cl2Br) > 4.53 (–ClBr2) > 4.34 (–Cl2I) > 4.30 eV (–ClI2). Ab initio electronic structure calculations including spin-orbit coupling (SOC) predict that the cis- and trans-isomers are nearly isoenergetic with the cis-isomer for –Cl2X, and the trans-isomer for –ClX2 slightly favored, respectively. Excited-state spectra calculated with time-dependent density functional theory (TDDFT), and their comparison with the observed ones, suggest that for each species, both the cis- and trans-configurations coexist in the experiments and contribute to the observed spectra, a fact that clearly violates the prediction of the widely accepted trans-effect, which suggests that only one isomer would have formed.

  7. NMR insights on the properties of ZnCl2 molten salt hydrate medium through its interaction with SnCl4 and fructose

    DEFF Research Database (Denmark)

    Qiao, Yan; Pedersen, Christian Marcus; Wang, Yingxiong

    2014-01-01

    The solvent properties of ZnCl2 molten salt medium and its synergic effect with the Lewis acid catalyst, Sn4+, for biomass conversion, were investigated by nuclear magnetic resonance. The tautomeric distribution of fructose in the ZnCl2 molten salt medium was examined, and its effect for humins...... formation during the biomass conversion was evaluated. The ion complex composed by Sn4+ and Zn2+ indicated that there is a synergic catalytic effect between these two Lewis acid ions. 13C NMR spectra of fructose in different ZnCl2 molten salt hydrate concentrations revealed that the concentration of β...

  8. Proposal and Evaluation of Subordinate Standard Solar Irradiance Spectra: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Habte, Aron M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Wilbert, Stefan [German Aerospace Center (DLR); Jessen, Wilko [German Aerospace Center (DLR); Gueymard, Chris [Solar Consulting Services; Polo, Jesus [CIEMAT; Bian, Zeqiang [China Meteorological Administration; Driesse, Anton [Photovoltaic Performance Labs; Marzo, Aitor [University of Antofagasta; Armstrong, Peter [Masdar Institute of Science & Technology; Vignola, Frank [University of Oregon; Ramirez, Lourdes [CIEMAT

    2018-04-12

    This paper introduces a concept for global tilted irradiance (GTI) subordinate standard spectra to supplement the current standard spectra used in solar photovoltaic applications as defined in ASTM G173 and IEC60904. The proposed subordinate standard spectra correspond to atmospheric conditions and tilt angles that depart significantly from the main standard spectrum, and they can be used to more accurately represent various local conditions. For the definition of subordinate standard spectra cases with an elevation 1.5 km above sea level, the question arises whether the air mass should be calculated including a pressure correction or not. This study focuses on the impact of air mass used in standard spectra, and it uses data from 29 locations to examine which air mass is most appropriate for GTI and direct normal irradiance (DNI) spectra. Overall, it is found that the pressure-corrected air mass of 1.5 is most appropriate for DNI spectra. For GTI, a non-pressure-corrected air mass of 1.5 was found to be more appropriate.

  9. Relation between Kitaev magnetism and structure in $\\alpha$-RuCl$_3$

    OpenAIRE

    Glamazda, A.; Lemmens, P.; Do, S. -H.; Kwon, Y. S.; Choi, K. -Y.

    2017-01-01

    Raman scattering has been employed to investigate lattice and magnetic excitations of the honeycomb Kitaev material $\\alpha$-RuCl$_3$ and its Heisenberg counterpart CrCl$_3$. Our phonon Raman spectra give evidence for a first-order structural transition from a monoclinic to a rhombohedral structure for both compounds. Significantly, only $\\alpha$-RuCl$_3$ features a large thermal hysteresis, consistent with the formation of a wide phase of coexistence. In the related temperature interval of $...

  10. Two-center three-electron bonding in ClNH{sub 3} revealed via helium droplet infrared laser Stark spectroscopy: Entrance channel complex along the Cl + NH{sub 3} → ClNH{sub 2} + H reaction

    Energy Technology Data Exchange (ETDEWEB)

    Moradi, Christopher P.; Douberly, Gary E., E-mail: douberly@uga.edu [Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556 (United States); Xie, Changjian; Guo, Hua [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Kaufmann, Matin [Department of Physical Chemistry II, Ruhr-University Bochum, D-44801 Bochum (Germany)

    2016-04-28

    Pyrolytic dissociation of Cl{sub 2} is employed to dope helium droplets with single Cl atoms. Sequential addition of NH{sub 3} to Cl-doped droplets leads to the formation of a complex residing in the entry valley to the substitution reaction Cl + NH{sub 3} → ClNH{sub 2} + H. Infrared Stark spectroscopy in the NH stretching region reveals symmetric and antisymmetric vibrations of a C{sub 3v} symmetric top. Frequency shifts from NH{sub 3} and dipole moment measurements are consistent with a ClNH{sub 3} complex containing a relatively strong two-center three-electron (2c–3e) bond. The nature of the 2c–3e bonding in ClNH{sub 3} is explored computationally and found to be consistent with the complexation-induced blue shifts observed experimentally. Computations of interconversion pathways reveal nearly barrierless routes to the formation of this complex, consistent with the absence in experimental spectra of two other complexes, NH{sub 3}Cl and Cl–HNH{sub 2}, which are predicted in the entry valley to the hydrogen abstraction reaction Cl + NH{sub 3} → HCl + NH{sub 2}.

  11. Effect of Skimmer Cone Material on the Spectra of Inductively Coupled Plasma Mass Spectrometry

    International Nuclear Information System (INIS)

    Amr, M.A.; Zahran, N.F.; Helal, A.I.

    2002-01-01

    The inductively coupled plasma ion source for mass spectrometry is very sensitive for multielement analysis with detection limits down to sub part per trillion (ppt). Polyatomic ions which could be formed in the mass spectra may interfere in the analysis of some element. Experimental conditions have great influences on the formation of polyatomic ions. The present work demonstrates that the skimmer materials (Au, Ag, Ni, and Cu) are participating in the formation of polyatomic ions, meanwhile the sampler materials have no real effect. The mechanism of formation of polyatomic ions is explained. Heats of formation of polyatomic species formed from the skimmer materials such as: Au X, Ag X, Ni X and Cu X; where X= Ar, O, N, C and H are calculated by Gaussian program (G 94 W)

  12. Examination of segmental average mass spectra from liquid chromatography-tandem mass spectrometric (LC-MS/MS) data enables screening of multiple types of protein modifications.

    Science.gov (United States)

    Liu, Nai-Yu; Lee, Hsiao-Hui; Chang, Zee-Fen; Tsay, Yeou-Guang

    2015-09-10

    It has been observed that a modified peptide and its non-modified counterpart, when analyzed with reverse phase liquid chromatography, usually share a very similar elution property [1-3]. Inasmuch as this property is common to many different types of protein modifications, we propose an informatics-based approach, featuring the generation of segmental average mass spectra ((sa)MS), that is capable of locating different types of modified peptides in two-dimensional liquid chromatography-mass spectrometric (LC-MS) data collected for regular protease digests from proteins in gels or solutions. To enable the localization of these peptides in the LC-MS map, we have implemented a set of computer programs, or the (sa)MS package, that perform the needed functions, including generating a complete set of segmental average mass spectra, compiling the peptide inventory from the Sequest/TurboSequest results, searching modified peptide candidates and annotating a tandem mass spectrum for final verification. Using ROCK2 as an example, our programs were applied to identify multiple types of modified peptides, such as phosphorylated and hexosylated ones, which particularly include those peptides that could have been ignored due to their peculiar fragmentation patterns and consequent low search scores. Hence, we demonstrate that, when complemented with peptide search algorithms, our approach and the entailed computer programs can add the sequence information needed for bolstering the confidence of data interpretation by the present analytical platforms and facilitate the mining of protein modification information out of complicated LC-MS/MS data. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Variable selection based on clustering analysis for improvement of polyphenols prediction in green tea using synchronous fluorescence spectra

    Science.gov (United States)

    Shan, Jiajia; Wang, Xue; Zhou, Hao; Han, Shuqing; Riza, Dimas Firmanda Al; Kondo, Naoshi

    2018-04-01

    Synchronous fluorescence spectra, combined with multivariate analysis were used to predict flavonoids content in green tea rapidly and nondestructively. This paper presented a new and efficient spectral intervals selection method called clustering based partial least square (CL-PLS), which selected informative wavelengths by combining clustering concept and partial least square (PLS) methods to improve models’ performance by synchronous fluorescence spectra. The fluorescence spectra of tea samples were obtained and k-means and kohonen-self organizing map clustering algorithms were carried out to cluster full spectra into several clusters, and sub-PLS regression model was developed on each cluster. Finally, CL-PLS models consisting of gradually selected clusters were built. Correlation coefficient (R) was used to evaluate the effect on prediction performance of PLS models. In addition, variable influence on projection partial least square (VIP-PLS), selectivity ratio partial least square (SR-PLS), interval partial least square (iPLS) models and full spectra PLS model were investigated and the results were compared. The results showed that CL-PLS presented the best result for flavonoids prediction using synchronous fluorescence spectra.

  14. Phase precipitation of Yb 2+ ions in RbCl monocrystals monitored ...

    African Journals Online (AJOL)

    Optical absorption spectra of RbCl:Yb2+ crystals have been measured at several elevated temperatures up to 300C. Results showed that in hot RbCl:Yb2+ crystals, the Yb2+ ions occupied lattice sites with effective octahedral, O, point symmetry. Values of an energy parameter , which is an approximate measure of the ...

  15. A radiotracer study on the volatilization and transport effects of thermochemical reagents used in the analysis of alumina powders by slurry electrothermal vaporization inductively coupled plasma mass spectrometry

    International Nuclear Information System (INIS)

    Peschel, Birgit U.; Herdering, Wilhelm; Broekaert, Jose A.C.

    2007-01-01

    A neutron-activated Al 2 O 3 powder SRM 699 (NIST) containing the γ-radiation emitting radionuclides 51 Cr, 59 Fe, 60 Co and 65 Zn has been used to study the influence of thermochemical reagents on the volatilization and transport efficiency for these trace elements in electrothermal vaporization inductively coupled plasma mass spectrometry (ETV-ICP-MS) of Al 2 O 3 powders. From the signals in the γ-spectra for the radiotracers it has been found that less than 2% of the elements Cr, Fe, Co and Zn is left back in a graphite furnace from Al 2 O 3 powders at 2200 deg. C even without addition of a thermochemical reagent and the latter even was found to decrease the volatilization efficiencies. The recovery for the radiotracers on filters at the end of the transport tube as measured from the signals in the γ-spectra, however, was found to increase in most cases (i.e. from about 10% to more than 20%) when Pd(NO 3 ) 2 , Pd(NO 3 ) 2 + Mg(NO 3 ) 2 , PdCl 2 , IrCl 3 , SnCl 2 , AgCl, NaF, NH 4 Cl and NH 4 F were added at amounts generally used in electrothermal vaporization inductively coupled plasma mass spectrometry. However, when adding higher amounts as stoichiometrically required for a complete halogenation of the sample matrix in the case of AgCl, C 8 F 15 O 2 Na, IrCl 3 or PdCl 2 the transport efficiencies considerably decrease again. As shown in the case of NH 4 Cl the amount of thermochemical reagent used has to be optimized so as to obtain maximum analyte transport efficiencies. A comparison of the influence of NH 4 Cl on the transport efficiencies with its influence on the ETV-ICP-MS signals for Fe demonstrates the importance of transport efficiency changes for the effects of thermochemical reagents in electrothermal vaporization inductively coupled plasma mass spectrometry

  16. Radiative and semi-leptonic B-meson decay spectra: Sudakov resummation beyond logarithmic accuracy and the pole mass

    Science.gov (United States)

    Gardi, Einan

    2004-04-01

    The inclusive spectra of radiative and semi-leptonic B-meson decays near the endpoint is computed taking into account renormalons in the Sudakov exponent (Dressed Gluon Exponentiation). In this framework we demonstrate the factorization of decay spectra into hard, jet and soft functions and discuss the universality of the latter two. Going beyond perturbation theory the soft function, which we identify as the longitudinal momentum distribution in an on-shell b quark, is replaced by the b-quark distribution in the B meson. The two differ by power corrections. We show how the resummation of running-coupling effects can be used to perform consistent separation to power accuracy between perturbative and non-perturbative contributions. In particular, we prove that the leading infrared renormalon ambiguity in the Sudakov exponent cancels against the one associated with the definition of the pole mass. This cancellation allows us to identify the non-perturbative parameter that controls the shift of the perturbative spectrum in the heavy-quark limit as the mass difference between the meson and the quark.

  17. Searches of exotic Higgs bosons in general mass spectra of the Georgi-Machacek model at the LHC

    International Nuclear Information System (INIS)

    Chiang, Cheng-Wei; Kuo, An-Li; Yamada, Toshifumi

    2016-01-01

    We derive the most general sets of viable mass spectra of the exotic Higgs bosons in the Georgi-Machacek model that are consistent with the theoretical constraints of vacuum stability and perturbative unitarity and the experimental constraints of electroweak precision observables, Zbb̄ coupling and Higgs boson signal strengths. Branching ratios of various cascade decay channels of the doubly-charged Higgs boson in the 5 representation, the singly-charged Higgs boson in 3, and the singlet Higgs boson are further computed. As one of the most promising channels for discovering the model, we study the prospects for detecting the doubly-charged Higgs boson that is produced via the vector boson fusion process and decays into final states containing a pair of same-sign leptons at the 14-TeV LHC and a 100-TeV future pp collider. For this purpose, we evaluate acceptance times efficiency for signals of the doubly-charged Higgs boson with general viable mass spectra and compare it with the standard model background estimates.

  18. Classical electron ionization mass spectra in gas chromatography/mass spectrometry with supersonic molecular beams.

    Science.gov (United States)

    Gordin, Alexander; Fialkov, Alexander B; Amirav, Aviv

    2008-09-01

    A major benefit of gas chromatography/mass spectrometry (GC/MS) with a supersonic molecular beam (SMB) interface and its fly-through ion source is the ability to obtain electron ionization of vibrationally cold molecules (cold EI), which show enhanced molecular ions. However, GC/MS with an SMB also has the flexibility to perform 'classical EI' mode of operation which provides mass spectra to mimic those in commercial 70 eV electron ionization MS libraries. Classical EI in SMB is obtained through simple reduction of the helium make-up gas flow rate, which reduces the SMB cooling efficiency; hence the vibrational temperatures of the molecules are similar to those in traditional EI ion sources. In classical EI-SMB mode, the relative abundance of the molecular ion can be tuned and, as a result, excellent identification probabilities and very good matching factors to the NIST MS library are obtained. Classical EI-SMB with the fly-through dual cage ion source has analyte sensitivity similar to that of the standard EI ion source of a basic GC/MS system. The fly-through EI ion source in combination with the SMB interface can serve for cold EI, classical EI-SMB, and cluster chemical ionization (CCI) modes of operation, all easily exchangeable through a simple and quick change (not involving hardware). Furthermore, the fly-through ion source eliminates sample scattering from the walls of the ion source, and thus it offers full sample inertness, tailing-free operation, and no ion-molecule reaction interferences. It is also robust and enables increased column flow rate capability without affecting the sensitivity.

  19. Explosive hydrogen brning of 35Cl

    International Nuclear Information System (INIS)

    Ilidas, C.; Goerres, J.; Ross, J.G.; Scheller, K.W.; Wiescher, M.; Azuma, R.E.; Roters, G.; Trautvetter, H.P.; Evans, H.C.

    1994-01-01

    Proton threshold states in 36 Ar have been studied via the reactions 35 Cl( 3 He,d) 36 Ar, 32 S( 6 Li,d) 36 Ar, 32 S(α,γ) 36 Ar, 35 Cl(p,γ) 36 Ar and 35 Cl(p,α) 32 S to investigate their influence on a possible SCl reaction cycle in explosive hydrogen burning. Three new states in 36 Ar have been observed in the ( 3 He,d) reaction at E x =8806, 8887 and 8923 keV. Deuteron angular distributions were measured for 14 states near the 35 Cl+p threshold and were analyzed with DWBA calculations. Values of transferred orbital angular momenta, spectroscopic factors and proton partial widths were determined. Gamma-ray spectra have been measured at ten (p,γ) resonances. Three new resonances were observed at E R =311, 416 and 627 keV, corresponding to 36 Ar states at E x =8806, 8909 and 9117 keV, respectively. Excitation and resonance energies, γ-ray branching ratios and resonance strengths are presented. The astrophysical implications of our results for explosive hydrogen burning of 35 Cl are discussed. (orig.)

  20. The Higgs boson mass and SUSY spectra in 10D SYM theory with magnetized extra dimensions

    Directory of Open Access Journals (Sweden)

    Hiroyuki Abe

    2014-11-01

    Full Text Available We study the Higgs boson mass and the spectrum of supersymmetric (SUSY particles in the well-motivated particle physics model derived from a ten-dimensional supersymmetric Yang–Mills theory compactified on three factorizable tori with magnetic fluxes. This model was proposed in a previous work, where the flavor structures of the standard model including the realistic Yukawa hierarchies are obtained from non-hierarchical input parameters on the magnetized background. Assuming moduli- and anomaly-mediated contributions dominate the soft SUSY breaking terms, we study the precise SUSY spectra and analyze the Higgs boson mass in this mode, which are compared with the latest experimental data.

  1. Short communication: Evaluation of MALDI-TOF mass spectrometry and a custom reference spectra expanded database for the identification of bovine-associated coagulase-negative staphylococci.

    Science.gov (United States)

    Cameron, M; Perry, J; Middleton, J R; Chaffer, M; Lewis, J; Keefe, G P

    2018-01-01

    This study evaluated MALDI-TOF mass spectrometry and a custom reference spectra expanded database for the identification of bovine-associated coagulase-negative staphylococci (CNS). A total of 861 CNS isolates were used in the study, covering 21 different CNS species. The majority of the isolates were previously identified by rpoB gene sequencing (n = 804) and the remainder were identified by sequencing of hsp60 (n = 56) and tuf (n = 1). The genotypic identification was considered the gold standard identification. Using a direct transfer protocol and the existing commercial database, MALDI-TOF mass spectrometry showed a typeability of 96.5% (831/861) and an accuracy of 99.2% (824/831). Using a custom reference spectra expanded database, which included an additional 13 in-house created reference spectra, isolates were identified by MALDI-TOF mass spectrometry with 99.2% (854/861) typeability and 99.4% (849/854) accuracy. Overall, MALDI-TOF mass spectrometry using the direct transfer method was shown to be a highly reliable tool for the identification of bovine-associated CNS. Copyright © 2018 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  2. Mass Spectra-Based Framework for Automated Structural Elucidation of Metabolome Data to Explore Phytochemical Diversity

    Science.gov (United States)

    Matsuda, Fumio; Nakabayashi, Ryo; Sawada, Yuji; Suzuki, Makoto; Hirai, Masami Y.; Kanaya, Shigehiko; Saito, Kazuki

    2011-01-01

    A novel framework for automated elucidation of metabolite structures in liquid chromatography–mass spectrometer metabolome data was constructed by integrating databases. High-resolution tandem mass spectra data automatically acquired from each metabolite signal were used for database searches. Three distinct databases, KNApSAcK, ReSpect, and the PRIMe standard compound database, were employed for the structural elucidation. The outputs were retrieved using the CAS metabolite identifier for identification and putative annotation. A simple metabolite ontology system was also introduced to attain putative characterization of the metabolite signals. The automated method was applied for the metabolome data sets obtained from the rosette leaves of 20 Arabidopsis accessions. Phenotypic variations in novel Arabidopsis metabolites among these accessions could be investigated using this method. PMID:22645535

  3. Mass spectra-based framework for automated structural elucidation of metabolome data to explore phytochemical diversity

    Directory of Open Access Journals (Sweden)

    Fumio eMatsuda

    2011-08-01

    Full Text Available A novel framework for automated elucidation of metabolite structures in liquid chromatography-mass spectrometer (LC-MS metabolome data was constructed by integrating databases. High-resolution tandem mass spectra data automatically acquired from each metabolite signal were used for database searches. Three distinct databases, KNApSAcK, ReSpect, and the PRIMe standard compound database, were employed for the structural elucidation. The outputs were retrieved using the CAS metabolite identifier for identification and putative annotation. A simple metabolite ontology system was also introduced to attain putative characterization of the metabolite signals. The automated method was applied for the metabolome data sets obtained from the rosette leaves of 20 Arabidopsis accessions. Phenotypic variations in novel Arabidopsis metabolites among these accessions could be investigated using this method.

  4. Vibronic spectra of Gd3+ in metaphosphate glasses: Comparison with Raman and infrared spectra

    International Nuclear Information System (INIS)

    Hall, D.W.; Brawer, S.A.; Weber, M.J.

    1982-01-01

    Vibronic sidebands associated with the 6 P/sub 7/2/→ 8 S/sub 7/2/ transition of Gd 3+ -doped metaphosphate glasses are observed using line-narrowed fluorescence techniques. Glasses having metal cations of different mass and charge (La,Al,Mg,Ba) are examined. Vibronic spectra, which probe vibrations about the rare-earth element site, are compared with polarized Raman scattering data and the infrared dielectric constant obtained from near-normal reflectance measurements. Results indicate that in metaphosphate glasses vibronic selection rules are similar to HV (vertical height) Raman selection rules. The wavelengths and relative intensities of peaks in the high-frequency portion of the vibronic spectra change with respect to corresponding peaks in the Raman spectra when the mass and/or charge of Gd 3+ differs significantly from that of the metal cation

  5. AMS of 36Cl with the VERA 3 MV tandem accelerator

    International Nuclear Information System (INIS)

    Martschini, Martin; Andersson, Pontus; Forstner, Oliver; Golser, Robin; Hanstorp, Dag; Lindahl, Anton O.; Kutschera, Walter; Pavetich, Stefan; Priller, Alfred; Rohlén, Johan; Steier, Peter; Suter, Martin; Wallner, Anton

    2013-01-01

    Recent progress with compact ionization chambers has opened new possibilities for isobar suppression in accelerator mass spectrometry (AMS). Separation of 36 Cl (t 1/2 = 0.30 Ma) at natural isotopic levels from its stable isobar 36 S became feasible at particle energies of 24 MeV, which are also accessible for medium-sized tandem accelerators with 3 MV terminal voltage like VERA (Vienna Environmental Research Accelerator). Investigations with an ionization chamber revealed how physics favors isobar separation even at energies below the maximum of the Bragg curve. The strong energy focusing effect at high energy losses reduces energy straggling significantly and isobar separation steadily increases up to almost full energy loss. With an optimized detection setup, sulfur suppression factors of 2 × 10 4 have been achieved. Refraining from the additional use of degrader foils has the benefit of high transmission to the detector (∼16%), but requires a low sulfur output from the ion source. Therefore several backing materials have been screened for sulfur content. The dependence of the sulfur output on the AgCl sample size has been investigated as well. Precision and accuracy have been thoroughly assessed over the last two years. Since drifts in the spectra are efficiently corrected by monitoring the position of the 36 S peak, the reproducibility for high ratio samples ( 36 Cl/Cl > 10 −12 ) is better than 2%. Our blank value of 36 Cl/Cl ≈ (5 ± 5) × 10 −16 is competitive to other labs. 36 Cl has become a routine AMS-isotope at VERA. Recently we also explored novel techniques for additional sulfur suppression already in the ion source. While results with a small gas reaction cell in front of the sputter target were discouraging, a decrease in the sulfur/chlorine ratio by one order of magnitude was achieved by directing 300 mW continuous wave laser beam at 445 nm towards the cathode in the ion source.

  6. Oxygen-rich Mass Loss with a Pinch of Salt: NaCl in the Circumstellar Gas of IK Tauri and VY Canis Majoris

    Science.gov (United States)

    Milam, S. N.; Apponi, A. J.; Woolf, N. J.; Ziurys, L. M.

    2007-10-01

    The NaCl molecule has been observed in the circumstellar envelopes of VY Canis Majoris (VY CMa) and IK Tauri (IK Tau)-the first identifications of a metal refractory in oxygen-rich shells of evolved stars. Five rotational transitions of NaCl at 1 and 2 mm were detected toward VY CMa and three 1 mm lines were observed toward IK Tau, using the telescopes of the Arizona Radio Observatory. In both objects, the line widths of the NaCl profiles were extremely narrow relative to those of other molecules, indicating that sodium chloride has not reached the terminal outflow velocity in either star, likely a result of early condensation onto grains. Modeling the observed spectra suggests abundances, relative to H2, of f~5×10-9 in VY CMa and f~4×10-9 in IK Tau, with source sizes of 0.5" and 0.3", respectively. The extent of these sources is consistent with the size of the dust acceleration zones in both stars. NaCl therefore appears to be at least as abundant in O-rich shells as compared to C-rich envelopes, where f~(0.2-2)×10-9, although it appears to condense out earlier in the O-rich case. Chemical equilibrium calculations indicate that NaCl is the major carrier of sodium at T~1100 K for oxygen-rich stars, with predicted fractional abundances in good agreement with the observations. These measurements suggest that crystalline salt may be an important condensate for sodium in both C- and O-rich circumstellar shells.

  7. VIRIAL BLACK HOLE MASS ESTIMATES FOR 280,000 AGNs FROM THE SDSS BROADBAND PHOTOMETRY AND SINGLE-EPOCH SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Kozłowski, Szymon, E-mail: simkoz@astrouw.edu.pl [Warsaw University Observatory, Al. Ujazdowskie, 4 00-478 Warszawa (Poland)

    2017-01-01

    We use the Sloan Digital Sky Survey (SDSS) Quasar Data Release 12 (DR12Q), containing nearly 300,000 active galactic nuclei (AGNs), to calculate the monochromatic luminosities at 5100, 3000, and 1350 Å, derived from the broadband extinction-corrected SDSS magnitudes. After matching these sources to their counterparts from the SDSS Quasar Data Release 7 (DR7Q), we find very high correlations between our luminosities and DR7Q spectra-based luminosities with minute mean offsets (∼0.01 dex) and dispersions of differences of 0.11, 0.10, and 0.12 dex, respectively, across a luminosity range of 2.5 dex. We then estimate the black hole (BH) masses of the AGNs using the broad line region radius–disk luminosity relations and the FWHM of the Mg ii and C iv emission lines, to provide a catalog of 283,033 virial BH mass estimates (132,451 for Mg ii, 213,071 for C iv, and 62,489 for both) along with the estimates of the bolometric luminosity and Eddington ratio for 0.1 <  z  < 5.5 and for roughly a quarter of the sky covered by SDSS. The BH mass estimates from Mg ii turned out to be closely matched to the ones from DR7Q with a dispersion of differences of 0.34 dex across a BH mass range of ∼2 dex. We uncovered a bias in the derived C iv FWHMs from DR12Q as compared to DR7Q, which we correct empirically. The C iv BH mass estimates should be used with caution because the C iv line is known to cause problems in the estimation of BH mass from single-epoch spectra. Finally, after the FWHM correction, the AGN BH mass estimates from C iv closely match the DR7Q ones (with a dispersion of 0.28 dex), and more importantly the Mg ii and C iv BH masses agree internally with a mean offset of 0.07 dex and a dispersion of 0.39 dex.

  8. Structural characterization of ZnCl{sub 2} modified tellurite based glasses

    Energy Technology Data Exchange (ETDEWEB)

    Dhankhar, Sunil, E-mail: dhankhar.sunil@gmail.com; Kundu, R. S.; Sunita [Guru Jambheshwar University of Science and Technology, Hisar (Haryana) – 125001 (India); Punia, R. [Indira Gandhi University, Meerpur, Rewari (Haryana) -123401 (India); Parmar, R. [Maharishi Dayanand University, Rohtak (Haryana)-124001 (India); Sanjay [Rawal Institute of Engineering and Technology, Faridabad (Haryana)-121004 (India); Kishore, N. [Central University of Haryana, Mahendergarh (Haryana)-123029 (India)

    2016-05-06

    Glass composition 70 TeO{sub 2}-(30-x) BaO – x ZnCl{sub 2}; x = 5, 10, 15, 20 and 25 have been prepared by rapid melt quenching technique under controlled atmospheric conditions. Amorphous nature of the samples was confirmed by x-ray diffractogram. The glass transition temperature (T{sub g}) has been determined using differential scanning calorimetry (DSC) and its value is observed to decrease with increase in ZnCl{sub 2} content. The peaks in the Raman and FTIR spectra have been estimated by deconvolutation of the spectra and each of deconvoluted spectra exhibits several peaks. IR and Raman spectra of the present glass system indicate that TeO{sub 2} exists as TeO{sub 3} trigonal pyramidal (tp), TeO{sub 4} trigonal bipyramidal (tbp) and TeO{sub 6} polyhedra structural units. With increase in zinc halide content, transformation of some of TeO{sub 4} structural units into TeO{sub 3} structural units is observed Increase in TeO{sub 3} structural units shows that non-bridging oxygen contribution increases which confirms the decrease in glass transition temperature.

  9. CL from ZnO nanowires and microneedles Co-doped with N and Mn

    International Nuclear Information System (INIS)

    Herrera, M; Morales, A; Díaz, J A

    2014-01-01

    Cathodoluminescence (CL) was used to study the luminescence emission of ZnO : N, Mn nanowires and microneedles grown by thermal evaporation. CL spectra acquired at room temperature showed the presence of near band edge and defect-related emissions. The defect related emission comprised two bands centered at 2.28 and 2.5 eV. The first component was attributed to the formation of spinel ZnMn 2 O 4  and the second to the well-known ZnO green emission. CL spectra acquired at 100 K showed two emissions centered at 3.22 and 3.25 eV that were attributed to donor–acceptor pair (DAP) and FA transitions, respectively. It was proposed that substitutional nitrogen (N O ) and zinc interstitial (Zn i ) were acceptor and shallow-donor centers in the DAP transition. (paper)

  10. Luminescence and scintillation properties of Rb2HfCl6 crystals

    International Nuclear Information System (INIS)

    Saeki, Keiichiro; Wakai, Yuki; Fujimoto, Yutaka; Koshimizu, Masanori; Asai, Keisuke; Yanagida, Takayuki; Nakauchi, Daisuke

    2016-01-01

    We developed a scintillator based on a Rb 2 HfCl 6 crystal as a ternary halide crystal with intrinsic luminescence. In the photoluminescence spectra, two emission bands are observed at 383 and 434 nm. The 434 nm emission band for Rb 2 HfCl 6 may be attributed to [HfCl 6 ] 2- complex ion or [ZrCl 6 ] 2- impurity, since the Rb 2 HfCl 6 contained Zr as impurity at 0.62 mol %. The radioluminescence band is observed at 420 nm and can be attributed to the same origin as the photoluminescence band at 434 nm. The scintillation decay-time constants were 0.84 and 5.4 μs. The light yield was estimated to be 24,100 photons/MeV. (author)

  11. Synthesis and photoluminescence enhancement of nano-PAA-ZnCl_2 with controllable dimension and morphology

    International Nuclear Information System (INIS)

    Wu, Jianguo; Wang, Kaige; Zhou, Yukun; Wang, Shuang; Zhang, Chen; Wang, Guiren

    2016-01-01

    Highlights: • One kind of large area nano-PAA-ZnCl_2 composite film is fabricated, its dimension and morphology is controllable. The properties of nano-composite films have been heavily influenced by the concentration of initial ZnCl_2 solution, the depth of nano-PAAM substrate and the growth time of ZnCl_2 crystals. • At room temperature, the nano-PAA-ZnCl_2 film has the same excitation center (335 nm) and emission center (430 nm) as the nano-PAAM substrate, and the PL intensities can be doubly enhanced. • After annealing at 500 °C, the emission peak spectra of the nano-composite films stabilized at 385 nm, 402 nm, and 430 nm. - Abstract: One kind of ZnCl_2 nano-films with controllable dimension and morphology is successfully synthesized on the top surface of nano-porous anodic alumina membrane (nano-PAAM) by self-organized method. The nano-PAA-ZnCl_2 composite films are characterized by field emission scanning electron microscopy, energy dispersive spectrometer, and laser confocal Raman spectroscopy. The results indicate that the concentration of initial ZnCl_2 solution, the depth of nano-PAAM substrate and the growth time of ZnCl_2 crystals have important influences on the properties of nano-composite films. Furthermore, the characteristics of nano-composites such as the photoluminescence (PL) spectra are investigated. Compared with the nano-PAAM substrate, at room temperature, all of the nano-PAA-ZnCl_2 composite films have both the same excitation center (335 nm) and emission center (430 nm), no matter what the nano-composite morphologies being; and the PL intensity of nano-PAA-ZnCl_2 composite films are all enhanced and the maximum enhancement is two times; after annealing at 500 °C, the emission spectra of the nano-composite films stabilized at the 385 nm, 402 nm and 430 nm. The research provides a new, simple, economical and practical technology to fabricate nano-PAA composite films with higher luminousintensity.

  12. Mass Spectra of Tetraselenafulvalenes, Diselenadithiafulvalenes and Tetrathiafulvalenes

    DEFF Research Database (Denmark)

    Andersen, Jan Rud; Egsgaard, Helge; Larsen, Elfinn

    1978-01-01

    fragmentation of the molecular ion, as the selenium fulvalenes lose an alkyne molecule, whereas the sulphur fulvalenes first lose an (SĊR) radical. An important feature of the spectra of the simple heterofulvalenes is the formation of a rearrangement ion by migration of a heteroatom. The mechanism...

  13. Electron impact ionization mass spectra of 3-substituted-2-hydroxy-4(3H)-quinazolinones

    International Nuclear Information System (INIS)

    El Deen, I. M.; Abd El Fattah, M. E.

    2003-01-01

    2-Amino-2-hydroxy-4(3H)-quinazolinone (3) was prepared via condensation of 1 with hydrazine hydrate. Treatment of 3 with appropriate acid in POCl 3 , ethyl chloroacetate and activated olefinic compounds in DMF yielded the corresponding 3-(substituted)amino-2-hydroxy-4(3H)-quinazolinones 4,5 and 6. The electron impact ionization mass spectra of compounds 3 and 4 show a weak molecular ion peak and a base peak of m/z 146 resulting from a cleavage fragmentation. The compounds 5 and 6 give a characteristics fragmentation pattern with a very stable fragment of benzopyrazolone (m/z 132)

  14. Soft X-ray absorption spectra of aqueous salt solutions with highly charged cations in liquid microjets

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, Craig P.; Uejio, Janel S.; Duffin, Andrew M.; Drisdell, Walter S.; Smith, Jared D.; Saykally, Richard J.

    2010-03-11

    X-ray absorption spectra of 1M aqueous solutions of indium (III) chloride, yttrium (III) bromide, lanthanum (III) chloride, tin (IV) chloride and chromium (III) chloride have been measured at the oxygen K-edge. Relatively minor changes are observed in the spectra compared to that of pure water. SnCl{sub 4} and CrCl{sub 3} exhibit a new onset feature which is attributed to formation of hydroxide or other complex molecules in the solution. At higher energy, only relatively minor, but salt-specific changes in the spectra occur. The small magnitude of the observed spectral changes is ascribed to offsetting perturbations by the cations and anions.

  15. Study of atomic and molecular emission spectra of Sr by laser induced breakdown spectroscopy (LIBS).

    Science.gov (United States)

    Bhatt, Chet R; Alfarraj, Bader; Ayyalasomayajula, Krishna K; Ghany, Charles; Yueh, Fang Y; Singh, Jagdish P

    2015-12-01

    Laser Induced Breakdown Spectroscopy (LIBS) is an ideal analytical technique for in situ analysis of elemental composition. We have performed a comparative study of the quantitative and qualitative analysis of atomic and molecular emission from LIBS spectra. In our experiments, a mixture of SrCl2 and Al2O3 in powder form was used as a sample. The atomic emission from Sr and molecular emission from SrCl and SrO observed in LIBS spectra were analyzed. The optimum laser energies, gate delays, and gate widths for selected atomic lines and molecular bands were determined from spectra recorded at various experimental parameters. These optimum experimental conditions were used to collect calibration data, and the calibration curves were used to predict the Sr concentration. Limits of detection (LODs) for selected atomic and molecular emission spectra were determined.

  16. [Probabilistic calculations of biomolecule charge states that generate mass spectra of multiply charged ions].

    Science.gov (United States)

    Raznikova, M O; Raznikov, V V

    2015-01-01

    In this work, information relating to charge states of biomolecule ions in solution obtained using the electrospray ionization mass spectrometry of different biopolymers is analyzed. The data analyses have mainly been carried out by solving an inverse problem of calculating the probabilities of retention of protons and other charge carriers by ionogenic groups of biomolecules with known primary structures. The approach is a new one and has no known to us analogues. A program titled "Decomposition" was developed and used to analyze the charge distribution of ions of native and denatured cytochrome c mass spectra. The possibility of splitting of the charge-state distribution of albumin into normal components, which likely corresponds to various conformational states of the biomolecule, has been demonstrated. The applicability criterion for using previously described method of decomposition of multidimensional charge-state distributions with two charge carriers, e.g., a proton and a sodium ion, to characterize the spatial structure of biopolymers in solution has been formulated. In contrast to known mass-spectrometric approaches, this method does not require the use of enzymatic hydrolysis or collision-induced dissociation of the biopolymers.

  17. Algorithms for classification of astronomical object spectra

    Science.gov (United States)

    Wasiewicz, P.; Szuppe, J.; Hryniewicz, K.

    2015-09-01

    Obtaining interesting celestial objects from tens of thousands or even millions of recorded optical-ultraviolet spectra depends not only on the data quality but also on the accuracy of spectra decomposition. Additionally rapidly growing data volumes demands higher computing power and/or more efficient algorithms implementations. In this paper we speed up the process of substracting iron transitions and fitting Gaussian functions to emission peaks utilising C++ and OpenCL methods together with the NOSQL database. In this paper we implemented typical astronomical methods of detecting peaks in comparison to our previous hybrid methods implemented with CUDA.

  18. Properties and Structure of the LiCl-films on Lithium Anodes in Liquid Cathodes

    DEFF Research Database (Denmark)

    Mogensen, Mogens Bjerg; Hennesø, Erik

    2016-01-01

    Lithium anodes passivated by LiCl layers in different types of liquid cathodes (catholytes) based on LiAlCl4 in SOCl2 or SO2 have been studied by means of impedance spectroscopy. The impedance spectra have been fitted with two equivalent circuits using a nonlinear least squares fit program...

  19. Automated Energy Calibration and Fitting of LaCl3(Ce y-Spectra Using Peak Likelihood and Tabu Search

    Directory of Open Access Journals (Sweden)

    Timothy P. McClanahan

    2008-10-01

    Full Text Available An automated method for ?-emission spectrum calibration and deconvolution is presented for spaceflight applications for a Cerium doped Lanthanum Chloride, (LaCl3(Ce ?-ray detector system. This detector will be coupled with a pulsed neutron generator (PNG to induce and enhance nuclide signal quality and rates, yielding large volumes of spectral information. Automated analytical methods are required to deconvolve and quantify nuclide signals from spectra; this will both reduce human interactions in spectrum analysis and facilitate feedback to automated robotic and operations planning. Initial system tests indicate significant energy calibration drifts (>6%, that which must be mitigated for spectrum analysis. A linear energy calibration model is presently considered, with gain and zero factors. Deconvolution methods incorporate a tabu search heuristic to formulate and optimize searches using memory structures. Iterative use of a peak likelihood methodology identifies global calibration minima and peak areas. The method is compared to manual methods of calibration and indicates superior performance using tabu methods. Performance of the Tabu enhanced calibration method is superior to similar unoptimized local search. The techniques are also applicable to other emission spectroscopy, eg. X-ray and neutron.

  20. Evaluation report on CCTF core-I reflood tests Cl-5 (Run 14), Cl-10 (Run 19) and Cl-12 (Run 21)

    International Nuclear Information System (INIS)

    Akimoto, Hajime; Murao, Yoshio

    1983-06-01

    Three tests Cl-5 (Run 14), Cl-10 (Run 19) and Cl-12 (Run 21) were performed using the Cylindrical Core Test Facility to study the effect of the containment pressure on the core cooling and the system behaviors during the reflood phase of a PWR-LOCA. The containment pressures of these tests were 0.15, 0.20 and 0.30 MPa for the tests Cl-10, Cl-5 and Cl-12, respectively. Through the comparison of the test results from these three tests, the following results were obtained. (1) The higher containment pressure gave the higher heat transfer coefficient in the core. This resulted in the lower turnaround temperature, the shorter turnaround time and the shorter quench time at the higher containment pressure. (2) In the higher containment pressure test, the higher core water head, the higher upper plenum water head, the higher downcomer water head in the early period and the lower downcomer water head in the later period were observed than those in the lower containment pressure test. This resulted in the higher pressure drop through the intact loop in the early period of the tests and the lower pressure drop in the later period of the test with the containment pressure. (3) The pressure drop through the broken cold leg pressurized the primary system. The pressure drop through the broken cold leg was decreased with the containment pressure. (4) The core inlet mass flow rate was increased with the containment pressure as observed in the FLECHT-SET phase B1 test. In quantity, however, the effect of the containment pressure on the increase of the core inlet mass flow rate was less in the CCTF than that in the FLECHT-SET. The less sensitivity in the CCTF was attributed mainly to the great pressure drop through the broken cold leg, which was not observed in the FLECHT-SET with big broken cold leg. (5) The system effect of the containment pressure was explained quantitatively. (author)

  1. Photoluminescence properties of X5SiO4Cl6:Tb (X = Sr, Ba) green ...

    Indian Academy of Sciences (India)

    attracted more attention due to their potential applications ... materials were thoroughly mixed and ground in an agate mortar. ... Figure 2. Excitation spectra of Ba5SiO4Cl6:Tb3+ phosphor. spectrum of Tb3+ singly doped phosphor Ba5SiO4Cl6,.

  2. Synthesis and photoluminescence enhancement of nano-PAA-ZnCl{sub 2} with controllable dimension and morphology

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Jianguo [State Key Laboratory of Cultivation Base for Photoelectric Technology and Functional Materials, Laboratory of Optoelectronic Technology of Shaanxi Province, National Center for International Research of Photoelectric Technology & Nano-functional Materials and Application, Institute of Photonics and Photon-Technology, Northwest University, Xi’an 710069 (China); Physics Department, Northwest University, Xi’an 710069 (China); Wang, Kaige, E-mail: wangkg@nwu.edu.cn [State Key Laboratory of Cultivation Base for Photoelectric Technology and Functional Materials, Laboratory of Optoelectronic Technology of Shaanxi Province, National Center for International Research of Photoelectric Technology & Nano-functional Materials and Application, Institute of Photonics and Photon-Technology, Northwest University, Xi’an 710069 (China); Zhou, Yukun; Wang, Shuang; Zhang, Chen [State Key Laboratory of Cultivation Base for Photoelectric Technology and Functional Materials, Laboratory of Optoelectronic Technology of Shaanxi Province, National Center for International Research of Photoelectric Technology & Nano-functional Materials and Application, Institute of Photonics and Photon-Technology, Northwest University, Xi’an 710069 (China); Wang, Guiren [State Key Laboratory of Cultivation Base for Photoelectric Technology and Functional Materials, Laboratory of Optoelectronic Technology of Shaanxi Province, National Center for International Research of Photoelectric Technology & Nano-functional Materials and Application, Institute of Photonics and Photon-Technology, Northwest University, Xi’an 710069 (China); Mechanical Engineering Department & Biomedical Engineering Program, University of South Carolina, Columbia SC 29208 (United States); and others

    2016-12-30

    Highlights: • One kind of large area nano-PAA-ZnCl{sub 2} composite film is fabricated, its dimension and morphology is controllable. The properties of nano-composite films have been heavily influenced by the concentration of initial ZnCl{sub 2} solution, the depth of nano-PAAM substrate and the growth time of ZnCl{sub 2} crystals. • At room temperature, the nano-PAA-ZnCl{sub 2} film has the same excitation center (335 nm) and emission center (430 nm) as the nano-PAAM substrate, and the PL intensities can be doubly enhanced. • After annealing at 500 °C, the emission peak spectra of the nano-composite films stabilized at 385 nm, 402 nm, and 430 nm. - Abstract: One kind of ZnCl{sub 2} nano-films with controllable dimension and morphology is successfully synthesized on the top surface of nano-porous anodic alumina membrane (nano-PAAM) by self-organized method. The nano-PAA-ZnCl{sub 2} composite films are characterized by field emission scanning electron microscopy, energy dispersive spectrometer, and laser confocal Raman spectroscopy. The results indicate that the concentration of initial ZnCl{sub 2} solution, the depth of nano-PAAM substrate and the growth time of ZnCl{sub 2} crystals have important influences on the properties of nano-composite films. Furthermore, the characteristics of nano-composites such as the photoluminescence (PL) spectra are investigated. Compared with the nano-PAAM substrate, at room temperature, all of the nano-PAA-ZnCl{sub 2} composite films have both the same excitation center (335 nm) and emission center (430 nm), no matter what the nano-composite morphologies being; and the PL intensity of nano-PAA-ZnCl{sub 2} composite films are all enhanced and the maximum enhancement is two times; after annealing at 500 °C, the emission spectra of the nano-composite films stabilized at the 385 nm, 402 nm and 430 nm. The research provides a new, simple, economical and practical technology to fabricate nano-PAA composite films with higher

  3. MoFi: A Software Tool for Annotating Glycoprotein Mass Spectra by Integrating Hybrid Data from the Intact Protein and Glycopeptide Level.

    Science.gov (United States)

    Skala, Wolfgang; Wohlschlager, Therese; Senn, Stefan; Huber, Gabriel E; Huber, Christian G

    2018-04-18

    Hybrid mass spectrometry (MS) is an emerging technique for characterizing glycoproteins, which typically display pronounced microheterogeneity. Since hybrid MS combines information from different experimental levels, it crucially depends on computational methods. Here, we describe a novel software tool, MoFi, which integrates hybrid MS data to assign glycans and other post-translational modifications (PTMs) in deconvoluted mass spectra of intact proteins. Its two-stage search algorithm first assigns monosaccharide/PTM compositions to each peak and then compiles a hierarchical list of glycan combinations compatible with these compositions. Importantly, the program only includes those combinations which are supported by a glycan library as derived from glycopeptide or released glycan analysis. By applying MoFi to mass spectra of rituximab, ado-trastuzumab emtansine, and recombinant human erythropoietin, we demonstrate how integration of bottom-up data may be used to refine information collected at the intact protein level. Accordingly, our software reveals that a single mass frequently can be explained by a considerable number of glycoforms. Yet, it simultaneously ranks proteoforms according to their probability, based on a score which is calculated from relative glycan abundances. Notably, glycoforms that comprise identical glycans may nevertheless differ in score if those glycans occupy different sites. Hence, MoFi exposes different layers of complexity that are present in the annotation of a glycoprotein mass spectrum.

  4. Structure investigation, spectral, thermal, X-ray and mass characterization of piroxicam and its metal complexes

    Science.gov (United States)

    Zayed, M. A.; Nour El-Dien, F. A.; Mohamed, Gehad G.; El-Gamel, Nadia E. A.

    2004-10-01

    [M(H 2L) 2](A) 2. yH 2O (where H 2L: neutral piroxicam (Pir), A: Cl - in case of Ni(II) or acetate anion in case of Cu(II) and Zn(II) ions and y=0-2.5) and [M(H 2L) 3](A) z. yH 2O (A: SO 42- in case of Fe(II) ion ( z=1) or Cl - in case of Fe(III) ( z=3) and Co(II) ions ( z=2) and y=1-4) chelates are prepared and characterized using elemental analyses, IR, magnetic and electronic reflectance measurements, mass spectra and thermal analyses. IR spectra reveal that Pir behaves a neutral bidentate ligand coordinated to the metal ions through the pyridyl-N and carbonyl-O of the amide moiety. The reflectance and magnetic moment measurements reveal that these chelates have tetrahedral, square planar and octahedral geometrical structures. Mass spectra and thermal analyses are also used to confirm the proposed formulae and the possible fragments resulted from fragmentation of Pir and its chelates. The thermal behaviour of the chelates (TGA and DTA) are discussed in detail and the thermal stability of the anhydrous chelates follow the order Ni(II)≅Cu(II)

  5. The French accelerator mass spectrometry facility ASTER after 4 years: Status and recent developments on {sup 36}Cl and {sup 129}I

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, Maurice; Aumaitre, Georges; Bourles, Didier L.; Keddadouche, Karim [ASTER-Team, CNRS-IRD Aix-Marseille Universite, F-13545 Aix-en-Provence (France); CEREGE, CNRS-IRD Aix-Marseille,Universite, F-13545 Aix-en-Provence (France); Braucher, Regis [CEREGE, CNRS-IRD Aix-Marseille,Universite, F-13545 Aix-en-Provence (France); Finkel, Robert C. [CEREGE, CNRS-IRD Aix-Marseille,Universite, F-13545 Aix-en-Provence (France); Earth and Planetary Science Dept., UC Berkeley, Berkeley, CA 94720-4767 (United States); Nottoli, Emmanuelle; Benedetti, Lucilla [CEREGE, CNRS-IRD Aix-Marseille,Universite, F-13545 Aix-en-Provence (France); Merchel, Silke, E-mail: s.merchel@hzdr.de [Helmholtz-Zentrum Dresden-Rossendorf, D-01314 Dresden (Germany)

    2013-01-15

    Highlights: Black-Right-Pointing-Pointer Yearly sample throughput as high as over 3300 unknowns for {sup 10}Be in 2010. Black-Right-Pointing-Pointer {sup 35}Cl/{sup 37}Cl samples proved time dependent mass fractionation and/or source memory. Black-Right-Pointing-Pointer Need for improvement in measurement strategies, data evaluation and ion sources. Black-Right-Pointing-Pointer Cross-calibration of secondary in-house {sup 129}I standards vs. NIST 3231. Black-Right-Pointing-Pointer Cross-contamination for iodine {approx}0.5% within first 20 h of source running. - Abstract: Since the acceptance tests of the French 5 MV accelerator mass spectrometry facility ASTER in 2007, routine measurement conditions for the long-lived radionuclides {sup 10}Be and {sup 26}Al have been established. Yearly sample throughput as high as over 3300 unknowns has been reached for {sup 10}Be in 2010. Cross-contamination for volatile elements has been largely solved by an ion source upgrade allowing {sup 36}Cl measurements at ASTER. However, recent long-term tests using {sup 35}Cl/{sup 37}Cl samples with strongly varying ratios have shown that identical targets lead to different {sup 35}Cl/{sup 37}Cl results at the 2-4% level when being measured after a time gap of 24 h while the source is running other samples. Besides time dependent mass fractionation, another likely reason for this effect might be source memory, thus, asking for sophisticated measurement strategies and improved data evaluation and eventually further ion source improvement. Finally, after establishing quality assurance by cross-calibration of secondary in-house {sup 26}Al and {sup 41}Ca standards and taking part in round-robin exercises of {sup 10}Be and {sup 36}Cl, a two-step cross-calibration of secondary in-house {sup 129}I standards has been performed. The NIST 3231 standard containing {sup 129}I/{sup 127}I at (0.981 {+-} 0.012) Multiplication-Sign 10{sup -6} has been used for step-wise dilution with NaI to produce

  6. The Atacama Cosmology Telescope: ACT-CL J0102-4915 'EL GORDO', A Massive Merging Cluster at Redshift 0.87

    Science.gov (United States)

    Menanteau, Felipe; Hughes, John P.; Sifon, Cristobal; Hilton, Matt; Gonzalez, Jorge; Infante, Leopoldo; Barrientos, L. Felipe; Baker, Andrew J.; Bond, John R.; Das, Sudeep; hide

    2012-01-01

    We present a detailed analysis from new multi-wavelength observations of the exceptional galaxy cluster ACT-CL J0102-4915, likely the most massive, hottest, most X-ray luminous and brightest Sunyaev-Zel'dovich (SZ) effect cluster known at redshifts greater than 0.6. The Atacama Cosmology Telescope (ACT) collaboration discovered ACT-CL J0102-4915 as the most significant Sunyaev-Zeldovich (SZ) decrement in a sky survey area of 755 square degrees. Our VLT/FORS2 spectra of 89 member galaxies yield a cluster redshift, z = 0.870, and velocity dispersion, sigma(sub gal) = 1321+/-106 km s-1. Our Chandra observations reveal a hot and X-ray luminous system with an integrated temperature of T(sub X) = 14.5+/-1.0 keV and 0.5-2.0 keV band luminosity of L(sub X) = (2.19+/-0.11)×10(sup 45) h(sup -2)(sub 70) erg s-1. We obtain several statistically consistent cluster mass estimates; using empirical mass scaling relations with velocity dispersion, X-ray Y(sub X), and integrated SZ distortion, we estimate a cluster mass of M(sub 200a) = (2.16+/-0.32)×1015 h(sup -1)(sub 70) solar mass. We constrain the stellar content of the cluster to be less than 1% of the total mass, using Spitzer IRAC and optical imaging. The Chandra and VLT/FORS2 optical data also reveal that ACT-CL J0102-4915 is undergoing a major merger between components with a mass ratio of approximately 2 to 1. The X-ray data show significant temperature variations from a low of 6.6+/-0.7 keV at the merging low-entropy, high-metallicity, cool core to a high of 22+/-6 keV. We also see a wake in the X-ray surface brightness and deprojected gas density caused by the passage of one cluster through the other. Archival radio data at 843 MHz reveal diffuse radio emission that, if associated with the cluster, indicates the presence of an intense double radio relic, hosted by the highest redshift cluster yet. ACT-CL J0102-4915 is possibly a high-redshift analog of the famous Bullet Cluster. Such a massive cluster at this redshift

  7. Synthesis and purification of some alkyl phenanthrenes and presentation of their infrared, ultraviolet, nuclear magnetic resonance and mass spectra

    International Nuclear Information System (INIS)

    Persaud, K.

    1965-01-01

    We have carried out the synthesis of: - phenanthrene - its five monomethyl derivatives - three dimethyl derivatives - two trimethyl derivatives. We have then purified these products as well as a certain number of others obtained from various sources. We have been able to obtain in the majority of cases, a purity of 99.5 per cent or over, these figures being obtained by low voltage mass spectrometry. Finally we have recorded the infrared, ultraviolet, nuclear magnetic resonance and mass spectra of these products for which an atlas has been drawn up. (author) [fr

  8. Experimental search of structures in missing mass spectra of B=2, T=1 system: possible evidence for narrow states

    International Nuclear Information System (INIS)

    Tatischeff, B.; Combes, M.P.; Didelez, J.P.

    1984-01-01

    The missing mass spectra for the transfer reaction p( 3 He,d)X (B=2, T=1) have been measured at Tsub( 3 He) = 2.7 GeV. The data show: 1) a narrow structure lying on top of an important continuum, with a mass M = 2.240+-0.005 GeV and a width GAMMAsub(1/2) = .016 +- .003 GeV; 2) a large structure with centroid location close to Msub(x) approximately equal to 2.170 +- .005 GeV and width GAMMAsub(1/2) approximately .100 +- .005 Gev

  9. Preparation and characterization of visible light-driven AgCl/PPy photocatalyst

    International Nuclear Information System (INIS)

    Gu Shuna; Li Bing; Zhao Chongjun; Xu Yunlong; Qian Xiuzhen; Chen, Guorong

    2011-01-01

    Graphical abstract: AgCl/PPy composite exhibits improved photocatalytic performance and high stability under visible light. Display Omitted Highlights: → AgCl/(PPy) nanocomposites as visible light driven photocatalyst. → Composites exhibited high visible light-driven photocatalytic activity and stability. → Photocatalytic process on MO followed photoreduction mechanisms. → Used photocatalyst can be regenerated in aqueous FeCl 3 solution. - Abstract: Visible light photoactive AgCl/polypyrrole (PPy) composites were prepared via the reaction between excessive Ag + and Cl - ions in the presence of PPy . The AgCl/PPy composites were systematically characterized using Fourier transform infrared (FTIR) spectroscopy, Raman spectra, X-ray diffraction (XRD), Scanning electron microscope (SEM), Transmission electron microscope (TEM) and Thermal gravity analysis (TGA). It was found that face-centered cubic AgCl nanocrystallite and 0.2 wt% PPy component existed in the composite and spherical AgCl/PPy nanoparticles were in the range of 200-600 nm. The AgCl/PPy composites showed higher visible light-driven photocatalytic activity and stability than that of AgCl. A photoreduction mechanism was postulated for AgCl/PPy photocatalyst on dye methyl orange (MO). The used AgCl/PPy photocatalyst was facilely regenerated by an oxidation process in aqueous FeCl 3 solution.

  10. Preparation and characterization of visible light-driven AgCl/PPy photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Gu Shuna; Li Bing [Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Key Laboratory of Advanced Polymeric Materials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); Zhao Chongjun, E-mail: chongjunzhao@ecust.edu.cn [Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Key Laboratory of Advanced Polymeric Materials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); Xu Yunlong; Qian Xiuzhen; Chen, Guorong [Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Key Laboratory of Advanced Polymeric Materials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China)

    2011-05-05

    Graphical abstract: AgCl/PPy composite exhibits improved photocatalytic performance and high stability under visible light. Display Omitted Highlights: > AgCl/(PPy) nanocomposites as visible light driven photocatalyst. > Composites exhibited high visible light-driven photocatalytic activity and stability. > Photocatalytic process on MO followed photoreduction mechanisms. > Used photocatalyst can be regenerated in aqueous FeCl{sub 3} solution. - Abstract: Visible light photoactive AgCl/polypyrrole (PPy) composites were prepared via the reaction between excessive Ag{sup +} and Cl{sup -} ions in the presence of PPy{sub .} The AgCl/PPy composites were systematically characterized using Fourier transform infrared (FTIR) spectroscopy, Raman spectra, X-ray diffraction (XRD), Scanning electron microscope (SEM), Transmission electron microscope (TEM) and Thermal gravity analysis (TGA). It was found that face-centered cubic AgCl nanocrystallite and 0.2 wt% PPy component existed in the composite and spherical AgCl/PPy nanoparticles were in the range of 200-600 nm. The AgCl/PPy composites showed higher visible light-driven photocatalytic activity and stability than that of AgCl. A photoreduction mechanism was postulated for AgCl/PPy photocatalyst on dye methyl orange (MO). The used AgCl/PPy photocatalyst was facilely regenerated by an oxidation process in aqueous FeCl{sub 3} solution.

  11. Enhancing non-refractory aerosol apportionment from an urban industrial site through receptor modeling of complete high time-resolution aerosol mass spectra

    Science.gov (United States)

    McGuire, M. L.; Chang, R. Y.-W.; Slowik, J. G.; Jeong, C.-H.; Healy, R. M.; Lu, G.; Mihele, C.; Abbatt, J. P. D.; Brook, J. R.; Evans, G. J.

    2014-08-01

    Receptor modeling was performed on quadrupole unit mass resolution aerosol mass spectrometer (Q-AMS) sub-micron particulate matter (PM) chemical speciation measurements from Windsor, Ontario, an industrial city situated across the Detroit River from Detroit, Michigan. Aerosol and trace gas measurements were collected on board Environment Canada's Canadian Regional and Urban Investigation System for Environmental Research (CRUISER) mobile laboratory. Positive matrix factorization (PMF) was performed on the AMS full particle-phase mass spectrum (PMFFull MS) encompassing both organic and inorganic components. This approach compared to the more common method of analyzing only the organic mass spectra (PMFOrg MS). PMF of the full mass spectrum revealed that variability in the non-refractory sub-micron aerosol concentration and composition was best explained by six factors: an amine-containing factor (Amine); an ammonium sulfate- and oxygenated organic aerosol-containing factor (Sulfate-OA); an ammonium nitrate- and oxygenated organic aerosol-containing factor (Nitrate-OA); an ammonium chloride-containing factor (Chloride); a hydrocarbon-like organic aerosol (HOA) factor; and a moderately oxygenated organic aerosol factor (OOA). PMF of the organic mass spectrum revealed three factors of similar composition to some of those revealed through PMFFull MS: Amine, HOA and OOA. Including both the inorganic and organic mass proved to be a beneficial approach to analyzing the unit mass resolution AMS data for several reasons. First, it provided a method for potentially calculating more accurate sub-micron PM mass concentrations, particularly when unusual factors are present, in this case the Amine factor. As this method does not rely on a priori knowledge of chemical species, it circumvents the need for any adjustments to the traditional AMS species fragmentation patterns to account for atypical species, and can thus lead to more complete factor profiles. It is expected that this

  12. Enhancing non-refractory aerosol apportionment from an urban industrial site through receptor modelling of complete high time-resolution aerosol mass spectra

    Science.gov (United States)

    McGuire, M. L.; Chang, R. Y.-W.; Slowik, J. G.; Jeong, C.-H.; Healy, R. M.; Lu, G.; Mihele, C.; Abbatt, J. P. D.; Brook, J. R.; Evans, G. J.

    2014-02-01

    Receptor modelling was performed on quadrupole unit mass resolution aerosol mass spectrometer (Q-AMS) sub-micron particulate matter (PM) chemical speciation measurements from Windsor, Ontario, an industrial city situated across the Detroit River from Detroit, Michigan. Aerosol and trace gas measurements were collected on board Environment Canada's CRUISER mobile laboratory. Positive matrix factorization (PMF) was performed on the AMS full particle-phase mass spectrum (PMFFull MS) encompassing both organic and inorganic components. This approach was compared to the more common method of analysing only the organic mass spectra (PMFOrg MS). PMF of the full mass spectrum revealed that variability in the non-refractory sub-micron aerosol concentration and composition was best explained by six factors: an amine-containing factor (Amine); an ammonium sulphate and oxygenated organic aerosol containing factor (Sulphate-OA); an ammonium nitrate and oxygenated organic aerosol containing factor (Nitrate-OA); an ammonium chloride containing factor (Chloride); a hydrocarbon-like organic aerosol (HOA) factor; and a moderately oxygenated organic aerosol factor (OOA). PMF of the organic mass spectrum revealed three factors of similar composition to some of those revealed through PMFFull MS: Amine, HOA and OOA. Including both the inorganic and organic mass proved to be a beneficial approach to analysing the unit mass resolution AMS data for several reasons. First, it provided a method for potentially calculating more accurate sub-micron PM mass concentrations, particularly when unusual factors are present, in this case, an Amine factor. As this method does not rely on a priori knowledge of chemical species, it circumvents the need for any adjustments to the traditional AMS species fragmentation patterns to account for atypical species, and can thus lead to more complete factor profiles. It is expected that this method would be even more useful for HR-ToF-AMS data, due to the ability

  13. Search for and study of the effective mass spectra of nucleon clusters produced in relativistic nucleon collisions

    International Nuclear Information System (INIS)

    Didenko, L.A.; Grishin, V.G.; Kuznetsov, A.A.

    1991-01-01

    The effective mass spectra of nucleon clusters, produced in p, d, He and C collisions with carbon nuclei at P=4.2xA GeV/c are studied. The results obtained show that clusters with proton multiplicity n p =2 and 3 can be interpreted as decay products of nucleon resonances with a width from a few MeV to a few tens MeV. 11 refs.; 6 figs.; 4 tabs

  14. Study of the structural phase transitions of (CH 3NH 3) 3Sb 2Cl 9 (MACA) and (CH 3NH 3) 3Bi 2Cl 9 (MACB) by infrared spectroscopy

    Science.gov (United States)

    Bator, G.; Jakubas, R.; Malarski, Z.

    1991-06-01

    Infrared spectra of polycrystalline (CH 3NH 3) 3Sb 2Cl 9 and (CH 3NH 3) 3Bi 2Cl 9 have been studied in the temperature range 90-300 K. A systematic temperature dependence study of the internal modes has been carried out. We discuss the effects of the dynamic state of methylammonium (MA) cations on their vibrational spectra. The results show that the dynamics of MA cations in both compounds is similar in higher (about 300 K) and lower temperature (in the vicinity of 100 K) regions. Substantial differences are revealed in the intermediate temperature interval. The results are in good agreement with earlier dielectric, calorimetric and 1H NMR studies.

  15. The Synthesis and X-ray Structural Characterization of mer and fac isomers of the Technetium(I) Nitrosyl Complex [TcCl(2)(NO)(PNPpr)].

    Science.gov (United States)

    Nicholson, T L; Mahmood, A; Refosco, F; Tisato, F; Müller, P; Jones, A G

    2009-08-01

    The nitrosyl complex H[TcNOCl(4)] reacts with the tridentate ligand bis[(2-diphenylphosphino)propyl]amine (PNPpr) to yield a mixture of the mer or fac isomers of [TcCl(2)(NO)(PNPpr)]. In acetonitrile, where the ligand is freely soluble, reaction occurs at room temperature to yield mostly the mer isomer with the linear nitrosyl ligand cis to the amine ligand; and the phosphine ligands arranged in a mutually trans orientation. The reaction in methanol requires reflux to dissolve the lipophilic ligand and generates the fac isomer of [TcCl2(NO)(PNPpr)] as the major product, with the tridentate ligand in a facial arrangement, leaving the chlorides and nitrosyl ligand in the remaining facial sites. The steric bulk of the tridentate ligand's diphenylphophino- moieties results in a significant distortion from octahedral geometry, with the P-Tc-P bond angle expanded to 99.48(4)°. The infrared spectra display absorptions from these nitrosyl ligands in the 1700 and 1800 cm(-1) regions for the fac and mer isomers respectively. The ESI(+) mass spectra each display the parent ion at 647 m/z.

  16. Spectra, chromatograms, Metadata: mzML-the standard data format for mass spectrometer output.

    Science.gov (United States)

    Turewicz, Michael; Deutsch, Eric W

    2011-01-01

    This chapter describes Mass Spectrometry Markup Language (mzML), an XML-based and vendor-neutral standard data format for storage and exchange of mass spectrometer output like raw spectra and peak lists. It is intended to replace its two precursor data formats (mzData and mzXML), which had been developed independently a few years earlier. Hence, with the release of mzML, the problem of having two different formats for the same purposes is solved, and with it the duplicated effort of maintaining and supporting two data formats. The new format has been developed by a broad-based consortium of major instrument vendors, software vendors, and academic researchers under the aegis of the Human Proteome Organisation (HUPO), Proteomics Standards Initiative (PSI), with full participation of the main developers of the precursor formats. This comprehensive approach helped mzML to become a generally accepted standard. Furthermore, the collaborative development insured that mzML has adopted the best features of its precursor formats. In this chapter, we discuss mzML's development history, its design principles and use cases, as well as its main building components. We also present the available documentation, an example file, and validation software for mzML.

  17. Luminescence and scintillation properties of Ce-doped Cs2ZnCl4 crystals

    Science.gov (United States)

    Sugawara, K.; Koshimizu, M.; Yanagida, T.; Fujimoto, Y.; Haruki, R.; Nishikido, F.; Kishimoto, S.; Asai, K.

    2015-03-01

    In this study, we have synthesized scintillation materials based on Ce-doped Cs2ZnCl4 crystals. The light yield was enhanced by up to 20% by doping Cs2ZnCl4 with Ce3+ ions. In the scintillation time profiles, fast components exhibited decay time constants on the order of nanoseconds, which was ascribed to Auger-free luminescence (AFL). The light yield of the AFL component decreased at 10 mol% Ce3+ concentration, which is mainly attributed to the reabsorption of AFL photons inside the crystals by Ce3+ ions, as seen in the scintillation spectra. Long components had decay time constants of approximately 30 ns. In addition, at 10 mol% Ce3+ concentration, a prominent band appeared at approximately 500 nm in the scintillation spectrum, which was not observed in the photoluminescence spectra. The long components in the scintillation time profiles and the 500 nm band in the scintillation spectra were tentatively attributed to self-trapped excitons perturbed by Ce3+ ions.

  18. Luminescence of the SrCl2:Pr crystals under high-energy excitation

    International Nuclear Information System (INIS)

    Antonyak, O.T.; Voloshinovskii, A.S.; Vistovskyy, V.V.; Stryganyuk, G.B.; Kregel, O.P.

    2014-01-01

    The present research was carried out in order to elucidate the mechanisms of energy transfer from the crystal lattice to Pr 3+ ions in SrCl 2 . The luminescence excitation and emission spectra as well as luminescence kinetics of the SrCl 2 :Pr single crystals containing 0.2 mol% Pr were investigated at 300 and 10 K using the vacuum ultraviolet (VUV) synchrotron radiation. The X-ray excited luminescence spectra of the SrCl 2 :Pr (C Pr =0.2 and 0.5 mol%) and SrCl 2 :Pr, K (C Pr =1.5 mol%; C K =1.5 mol%) crystals were studied at 294 and 80 K. Under optical excitation of the samples in the Pr 3+ absorption bands, there were observed five fast ultraviolet emissions assigned to the 4f 1 5d→4f 2 transitions, and two long-wave bands corresponding to the f–f transitions. Furthermore, the intrinsic emission bands of SrCl 2 were observed at 10 K. The X-ray excited luminescence spectrum of the SrCl 2 :Pr crystal containing 0.2 mol% Pr, besides intrinsic emission band near 400 nm, has got a long-wave band at about 490 nm of the Pr 3+ centers. There were not observed any emission bands of the Pr 3+ centers corresponding to the 4f 1 5d–4f 2 transitions in the X-ray excited luminescence spectrum of the SrCl 2 :Pr crystal. The possible mechanisms of energy transfer from the SrCl 2 matrix to the Pr 3+ centers are discussed. -- Highlights: • Spectral-luminescent properties of SrCl 2 :Pr have been investigated. • The identification of emission 4f–4f and 5d–4f bands of Pr 3+ ions was performed. • Adding of potassium prevents clustering of the Pr 3+ centers in the SrCl 2 :Pr, K crystals. • Under X-ray excitation at 80–300 K only Pr 3+ 4f–4f and intrinsic emission is observed

  19. Variable valence ion spectra in a crystal field

    International Nuclear Information System (INIS)

    Ghiordanescu, V.

    1979-01-01

    Using the Cadmium chloride as a host lattice, the optical spectra and RES of Mnsup(2+) were studied and the following results were obtained: a) By controlled dopings, the absorbtion and excitation spectra of ion Mnsup(2+) in CdCl 2 within the concentration range between 0.01 M and 25 M were plotted. Thus, the band structure for small concentrations was pointed out to differ from the structure observed for high concentrations. In the literature, this effect has not been observed on similar compounds, due to the small intensity values of the absorbtion spectra. b) Considering that for CdCl 2 :Mnsup(2+) 0.1 M, the optical spectra correspond to the isolated ion in the lattice, the energy levels were evaluated using electrostatic and spin-orbit terms in a perturbation calculation of the crystal field approximation. c) The calculation of parameter a which represents the effect of the cubic field in the spjn Hamiltonian of Mnsup(2+), is closer to the experjmental value -0.5.10 -4 cm -1 of the crystal field Dq and zeta parameters are used, respectively, parameters of the spin-orbit interaction obtained under b). d) The coupling effects of spins into more concentrated crystals with Mn 2+ are a function of temperature. The emjssion yield was given a quasi-cantitative evaluation in thjs paper as a function of temperature and concentratjon on the basis of which the isolated centers of Mn 2+ were found to display ectra whose intensity vary with temperature according to the Laporte forbidden transitions and spin rule theory, and the clusters including Mn 2+ - Mn 2+ pairs provide spectra whose intensity vary with the strength of the spin-spin coupling. (author)

  20. Experimental determination of the H2O + 15 wt% NaCl and H2O + 25 wt% NaCl liquidi to 1.4 GPa

    Science.gov (United States)

    Valenti, P.; Schmidt, C.

    2009-12-01

    The binary H2O+NaCl is one of the most important model systems for chloridic fluids in many geologic environments such as the Earth’s crust, upper mantle, and subducting slabs, and is also applicable to extraterrestrial icy planetary bodies (e.g., Manning 2004, Zolensky et al., 1999). The knowledge on phase equilibria and PVTx properties of this system is still fragmentary at high pressures, e.g., very little has been reported on liquidi at compositions Daniel 2008). In this study, we investigated the liquidus of 15 and 25 wt% NaCl solutions at pressures up to 1.4 GPa. The experiments were performed using a hydrothermal diamond-anvil cell (Bassett et al. 1993) modified for Raman spectroscopy and accurate temperature measurements. A quartz chip, halite, and water were loaded into the sample chamber, which also contained a small trapped air bubble (10 vol%) when it was sealed. The actual salinity was then determined from measurement of the vapor-saturated liquidus temperature. The sample chamber was then compressed until the bubble disappeared. After freezing, phase transitions occurring with increasing temperature were observed optically, and the pressure was determined from the frequency shift of the 464 cm-1 Raman line of quartz (Schmidt and Ziemann 2000). The sample chamber was then compressed further, and the experiment was repeated at various bulk densities until a pressure of ~1.4 GPa was attained. At some conditions, Raman spectra were acquired for identification of the phase assemblage. The solution always crystallized to a single phase upon cooling above ~0.15 GPa at 25 wt% NaCl and above ~1 GPa at 15 wt% NaCl. Raman spectra in the OH stretching region indicate that this phase contains or is a NaCl hydrate other than hydrohalite, probably in solid solution with ice. Melting of this phase produced liquid and hydrohalite and/or ice VI. Ice VI was the last solid that dissolved upon heating, between 1100 MPa, 3 °C and 1370 MPa, 17 °C for 15 wt% NaCl and at

  1. The effect of age on Br, Ca, Cl, K, Mg, Mn, and Na mass fraction in pediatric and young adult prostate glands investigated by neutron activation analysis

    International Nuclear Information System (INIS)

    Zaichick, Vladimir; Zaichick, Sofia

    2013-01-01

    The effect of age on chemical element mass fractions in intact prostate of 50 apparently healthy 0–30 year old males was investigated by neutron activation analysis with high resolution spectrometry of short-lived radionuclides. Mean values (M±SΕΜ) for mass fraction (mg kg −1 , dry mass basis) of chemical elements before the time of puberty and in the period of puberty and post-puberty were: Br 46.0±6.7, Ca 1151±140, Cl 14572±700, K 10147±700, Mg 771±131, Mn 2.13±0.25, Na 9880±659 and Br 29.0±4.6, Ca 2049±364, Cl 11518±1121, K 13029±542, Mg 1186±134, Mn 1.74±0.16, Na 9887±716, respectively. A tendency of age-related increase in Ca, K, and Mg mass fraction and of age-related decrease in Br mass fraction was observed in period of life from 0 to 30 years. This new data indicates that of the elements studied, only the Ca, K, and Mg mass fraction in prostate tissue is an androgen-dependent parameter

  2. A scale space approach for unsupervised feature selection in mass spectra classification for ovarian cancer detection.

    Science.gov (United States)

    Ceccarelli, Michele; d'Acierno, Antonio; Facchiano, Angelo

    2009-10-15

    Mass spectrometry spectra, widely used in proteomics studies as a screening tool for protein profiling and to detect discriminatory signals, are high dimensional data. A large number of local maxima (a.k.a. peaks) have to be analyzed as part of computational pipelines aimed at the realization of efficient predictive and screening protocols. With this kind of data dimensions and samples size the risk of over-fitting and selection bias is pervasive. Therefore the development of bio-informatics methods based on unsupervised feature extraction can lead to general tools which can be applied to several fields of predictive proteomics. We propose a method for feature selection and extraction grounded on the theory of multi-scale spaces for high resolution spectra derived from analysis of serum. Then we use support vector machines for classification. In particular we use a database containing 216 samples spectra divided in 115 cancer and 91 control samples. The overall accuracy averaged over a large cross validation study is 98.18. The area under the ROC curve of the best selected model is 0.9962. We improved previous known results on the problem on the same data, with the advantage that the proposed method has an unsupervised feature selection phase. All the developed code, as MATLAB scripts, can be downloaded from http://medeaserver.isa.cnr.it/dacierno/spectracode.htm.

  3. Deconvolution of mixture spectra and increased throughput of Peptide identification by utilization of intensified complementary ions formed in tandem mass spectrometry

    DEFF Research Database (Denmark)

    Kryuchkov, Fedor; Verano-Braga, Thiago; Hansen, Thomas Aarup

    2013-01-01

    -resolution orbitrap mass spectrometry, an increase in the number of peptide identifications was obtained relative to the original CAD MS/MS spectra when intensified golden complementary (+18.6%) and CAD complementary pairs (+17.2%) were submitted to the Mascot search engine. This also exceeded the results obtained...

  4. Reactions and mass spectra of complex particles using Aerosol CIMS

    Science.gov (United States)

    Hearn, John D.; Smith, Geoffrey D.

    2006-12-01

    Aerosol chemical ionization mass spectrometry (CIMS) is used both on- and off-line for the analysis of complex laboratory-generated and ambient particles. One of the primary advantages of Aerosol CIMS is the low degree of ion fragmentation, making this technique well suited for investigating the reactivity of complex particles. To demonstrate the usefulness of this "soft" ionization, particles generated from meat cooking were reacted with ozone and the composition was monitored as a function of reaction time. Two distinct kinetic regimes were observed with most of the oleic acid in these particles reacting quickly but with 30% appearing to be trapped in the complex mixture. Additionally, detection limits are measured to be sufficiently low (100-200 ng/m3) to detect some of the more abundant constituents in ambient particles, including sulfate, which is measured in real-time at 1.2 [mu]g/m3. To better characterize complex aerosols from a variety of sources, a novel off-line collection method was also developed in which non-volatile and semi-volatile organics are desorbed from particles and concentrated in a cold U-tube. Desorption from the U-tube followed by analysis with Aerosol CIMS revealed significant amounts of nicotine in cigarette smoke and levoglucosan in oak and pine smoke, suggesting that this may be a useful technique for monitoring particle tracer species. Additionally, secondary organic aerosol formed from the reaction of ozone with R-limonene and volatile organics from orange peel were analyzed off-line showing large molecular weight products (m/z > 300 amu) that may indicate the formation of oligomers. Finally, mass spectra of ambient aerosol collected offline reveal a complex mixture of what appears to be highly processed organics, some of which may contain nitrogen.

  5. Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo)

    International Nuclear Information System (INIS)

    Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie

    2016-01-01

    Two isotypic compounds, Na 3 MO 4 Cl (M = W, Mo) have been obtained from the high temperature solution, and their structures were determined by single-crystal X-ray diffraction. Both of them crystallize in the space group P4/nmm of tetragonal system with the unit cells: a=7.5181(15), c=5.360(2) for Na 3 WO 4 Cl and a=7.4942(12), c=5.3409(18) for Na 3 MoO 4 Cl. The structure exhibits a 3D network built up by the ClNa 6 groups, and the MO 4 groups reside in the tunnels of the 3D network. The structural similarities and differences between Na 3 MO 4 Cl (M=W, Mo) and Sr 3 MO 4 F (M=Al, Ga) have been discussed. Meanwhile, detailed structure comparison analyses between Na 3 MO 4 Cl (M=W, Mo) and Na 3 MO 4 F (M=W, Mo) indicate that the different connection modes of ClNa 6 and FNa 6 make Na 3 MO 4 Cl and Na 3 MO 4 F crystallize in different structures. The IR spectra were used to verify the validity of the structure. The diffuse reflectance spectra show that the UV absorption edges are about 249 nm (4.99 eV) and 265 nm (4.69 eV) for Na 3 WO 4 Cl and Na 3 MoO 4 Cl, respectively. In addition, the first-principles theoretical studies are also carried out to aid the understanding of electronic structures and linear optical properties. - Graphical abstract: Two isotypic compounds, Na 3 MO 4 Cl (M=W, Mo) have been obtained from the high temperature solution. Both of them crystallize in the space group P4/nmm of tetragonal system. The structure exhibits a 3D network built up by the ClNa 6 groups, and the MO 4 groups reside in the tunnels of the 3D network. - Highlights: • Structure and properties of Na 3 MO 4 Cl (M=W, Mo) are reported for the first time. • They show a 3D network built by ClNa 6 , and WO 4 lies in the tunnels of the network. • IR spectra were used to verify the validity of the structure. • Band structures and density of states have been calculated.

  6. Features of the core-valence luminescence and electron energy band structure of A1-xCsxCaCl3 (A = K,Rb) crystals

    International Nuclear Information System (INIS)

    Chornodolskyy, Ya; Stryganyuk, G; Syrotyuk, S; Voloshinovskii, A; Rodnyi, P

    2007-01-01

    From luminescence spectroscopy of CsCaCl 3 , Rb 1-x Cs x CaCl 3 and K 1-x Cs x CaCl 3 crystals, we have found evidence for intrinsic and impurity core-valence luminescence due to the radiative recombination of valence electrons with the holes of intrinsic or impurity 5p Cs + core states. The structural similarity of core-valence luminescence spectra has been revealed for the A 1-x Cs x CaCl 3 (A = K,Rb) crystals investigated. The electron energy structure of the CsCaCl 3 crystal has been calculated using the pseudopotential approach taking into account the gradient corrections for the exchange-correlation energy. The calculated density of the electronic states of CsCaCl 3 has been compared with corresponding parameters obtained from the analysis of core-valence luminescence spectra

  7. Deposition, Accumulation, and Alteration of Cl(-), NO3(-), ClO4(-) and ClO3(-) Salts in a Hyper-Arid Polar Environment: Mass Balance and Isotopic Constraints

    Science.gov (United States)

    Jackson, Andrew; Davila, Alfonso F.; Boehlke, J. K.; Sturchio, Neil C.; Sevanthi, Ritesh; Estrada, Nubia; Brundrette, Megan; Lacell, Denis; McKay, Christopher P.; Poghosyan, Armen; hide

    2016-01-01

    The salt fraction in permafrost soils/sediments of the McMurdo Dry Valleys (MDV) of Antarctica can be used as a proxy for cold desert geochemical processes and paleoclimate reconstruction. Previous analyses of the salt fraction in MDV permafrost soils have largely been conducted in coastal regions where permafrost soils are variably affected by aqueous processes and mixed inputs from marine and stratospheric sources. We expand upon this work by evaluating permafrost soil/sediments in University Valley, located in the ultraxerous zone where both liquid water transport and marine influences are minimal. We determined the abundances of Cl(-), NO3(-, ClO4(-)and ClO3(-)in dry and ice-cemented soil/sediments, snow and glacier ice, and also characterized Cl(-) and NO3(-) isotopically. The data are not consistent with salt deposition in a sublimation till, nor with nuclear weapon testing fall-out, and instead point to a dominantly stratospheric source and to varying degrees of post depositional transformation depending on the substrate, from minimal alteration in bare soils to significant alteration (photodegradation and/or volatilization) in snow and glacier ice. Ionic abundances in the dry permafrost layer indicate limited vertical transport under the current climate conditions, likely due to percolation of snowmelt. Subtle changes in ClO4(-)/NO3(-) ratios and NO3(-) isotopic composition with depth and location may reflect both transport related fractionation and depositional history. Low molar ratios of ClO3(-)/ClO4(-) in surface soils compared to deposition and other arid systems suggest significant post depositional loss of ClO3(-), possibly due to reduction by iron minerals, which may have important implications for oxy-chlorine species on Mars. Salt accumulation varies with distance along the valley and apparent accumulation times based on multiple methods range from approximately 10 to 30 kyr near the glacier to 70-200 kyr near the valley mouth. The relatively

  8. The Atacama Cosmology Telescope: ACT-CL J0102-4215 "El Gordo," a Massive Merging Cluster at Redshift 0.87

    Science.gov (United States)

    Menanteau, Felipe; Hughes, John Pl; Baker, Andrew J.; Sifon, Cristobal; Gonzalez, Jorge; Infante, Leopoldo; Barrientos, L. Felipe; Hilton, Matt; Das, Sudeep; Spergel, David N.; hide

    2011-01-01

    We present a detailed analysis from new multi-wavelength observations of the exceptional galaxy cluster ACT-CL J0102-4915, likely the most massive, hottest, most X-ray luminous and brightest Sunyaev-Zel'dovich (SZ) effect cluster known at redshifts greater than 0.6. The Atacama Cosmology Telescope (ACT) collaboration discovered ACT-CL J0102-4915 as the most significant Sunyaev-Zeldovich (SZ) decrement in a sky survey area of 755 square degrees. Our VLT/FORS2 spectra of 89 member galaxies yield a cluster redshift, z = 0.870, and velocity dispersion, sigma(gal) +/- 1321 106 km s-1. Our Chandra observations reveal a hot and X-ray luminous system with an integrated temperature of T(X) = 14:5 +/- 0:1 keV and 0.5 2.0 keV band luminosity of L(X) = (2:19 0:11) 1045 h(exp -2)70erg s-1. We obtain several statistically consistent cluster mass estimates; using empirical mass scaling relations with velocity dispersion, X-ray Y(X) , and integrated SZ distortion, we estimate a cluster mass of M(200) = (2:16 +/- 0:32) 10(exp 15) h(exp-1) 70M compared to the Sun. We constrain the stellar content of the cluster to be less than 1% of the total mass, using Spitzer IRAC and optical imaging. The Chandra and VLT/FORS2 optical data also reveal that ACT-CL J0102-4915 is undergoing a major merger between components with a mass ratio of approximately 2 to 1. The X-ray data show significant temperature variations from a low of 6:6 +/- 0:7 keV at the merging low-entropy, high-metallicity, cool core to a high of 22 +/- 6 keV. We also see a wake in the X-ray surface brightness and deprojected gas density caused by the passage of one cluster through the other from which we estimate a merger speed of around 1300 km s(exp -1) for an assumed merger timescale of 1 Gyr. ACTCL J0102-4915 is possibly a high-redshift analog of the famous Bullet Cluster. Such a massive cluster at this redshift is rare, although consistent with the standard CDM cosmology in the lower part of its allowed mass range. Massive

  9. A new 36Cl hydrological model and 36Cl systematics in the Jordan River/Dead Sea system

    International Nuclear Information System (INIS)

    Paul, M.; Fink, D.; Meirav, O.; Kaim, R.

    1986-01-01

    Accelerator mass spectrometry results of 36 Cl for the Jordan River/Dead Sea system show that the amount of chloride leached from rocks ranges from approx. 70% in source springs to >90% in water bodies downstream. Furthermore, the amount of water left after evaporation decreases from approx. 50% in the source springs to 20% in the intermediate Lake Kinneret. In the terminal Dead Sea, 99% of the stable chloride originates from ancient rocks and evaporite formations while approx. 80% of its 36 Cl content is of meteoric origin. Using 36 Cl measurements, the accumulation time of the Dead Sea salt is estimated to be 19,000-25,000 yr. (author)

  10. Gold chloride clusters with Au(III) and Au(I) probed by FT-ICR mass spectrometry and MP2 theory.

    Science.gov (United States)

    Lemke, Kono H

    2014-05-07

    Microsolvated clusters of gold chloride are probed by electrospray ionization mass spectrometry (ESI-MS) and scalar relativistic electronic structure calculations. Electrospray ionization of aqueous AuCl3 leads to mononuclear clusters of types [AuCl2](+)(H2O)n (n = 0-4), [AuOHCl](+)(H2O)n (n = 0-1) and [AuCl2](+)(HCl)2(H2O)n (n = 0-4). In addition, strong ion signals due to dinuclear [Au2Cl5-xOHx](+)(H2O)n (x = 0-1) are present in ESI mass spectra of aqueous AuCl3, with the abundance of individual dinuclear species controlled by the concentration-dependent variation of the precursor complexes [AuCl2-xOHx](+)(H2O)n and AuCl3. Equilibrium structures, energies and thermodynamic properties of mono- and dinuclear gold clusters have been predicted using MP2 and CCSD(T) theory, and these data have been applied to examine the influence of microsolvation on cluster stability. Specifically, results from CCSD(T) calculations indicate that non-covalently bound ion-neutral complexes Au(+)(Cl2)(H2O)n, with formal Au(I), are the dominant forms of mononuclear gold with n = 0-2, while higher hydrates (n > 2) are covalently bound [AuCl2](+)(H2O)n complexes in which gold exists as Au(III). MP2 calculations show that the lowest energy structure of dinuclear gold is an ion-molecule cluster [Au2Cl(Cl2)2](+) consisting of a single-bridged digold-chloronium ion bound end-on to two dichlorine ligands, with two higher energy isomers, single-bridged [Au2Cl3(Cl2)](+) and double-bridged [Au2Cl5](+) clusters. Finally, AuAu interactions in the singly-bridged clusters [Au2Cl(Cl2)2](+)(H2O)n and [Au2Cl3(Cl2)](+)(H2O)n are examined employing a wide range of computational tools, including natural bond order (NBO) analysis and localized orbital locator (LOL) profiles.

  11. Synthesis of nanoparticles in helium droplets—A characterization comparing mass-spectra and electron microscopy data

    International Nuclear Information System (INIS)

    Thaler, Philipp; Volk, Alexander; Lackner, Florian; Steurer, Johannes; Schnedlitz, Martin; Ernst, Wolfgang E.; Knez, Daniel; Haberfehlner, Georg

    2015-01-01

    Micrometer sized helium droplets provide an extraordinary environment for the growth of nanoparticles. The method promises great potential for the preparation of core-shell particles as well as one-dimensional nanostructures, which agglomerate along quantum vortices, without involving solvents, ligands, or additives. Using a new apparatus, which enables us to record mass spectra of heavy dopant clusters (>10 4 amu) and to produce samples for transmission electron microscopy simultaneously, we synthesize bare and bimetallic nanoparticles consisting of various materials (Au, Ni, Cr, and Ag). We present a systematical study of the growth process of clusters and nanoparticles inside the helium droplets, which can be described with a simple theoretical model

  12. Synthesis of nanoparticles in helium droplets—A characterization comparing mass-spectra and electron microscopy data

    Energy Technology Data Exchange (ETDEWEB)

    Thaler, Philipp; Volk, Alexander; Lackner, Florian; Steurer, Johannes; Schnedlitz, Martin; Ernst, Wolfgang E., E-mail: wolfgang.ernst@tugraz.at [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz (Austria); Knez, Daniel; Haberfehlner, Georg [Institute for Electron Microscopy and Nanoanalysis & Graz Centre for Electron Microscopy, TU Graz, Steyrergasse 17, A-8010 Graz (Austria)

    2015-10-07

    Micrometer sized helium droplets provide an extraordinary environment for the growth of nanoparticles. The method promises great potential for the preparation of core-shell particles as well as one-dimensional nanostructures, which agglomerate along quantum vortices, without involving solvents, ligands, or additives. Using a new apparatus, which enables us to record mass spectra of heavy dopant clusters (>10{sup 4} amu) and to produce samples for transmission electron microscopy simultaneously, we synthesize bare and bimetallic nanoparticles consisting of various materials (Au, Ni, Cr, and Ag). We present a systematical study of the growth process of clusters and nanoparticles inside the helium droplets, which can be described with a simple theoretical model.

  13. THE ATACAMA COSMOLOGY TELESCOPE: ACT-CL J0102–4915 'EL GORDO', A MASSIVE MERGING CLUSTER AT REDSHIFT 0.87

    International Nuclear Information System (INIS)

    Menanteau, Felipe; Hughes, John P.; Baker, Andrew J.; Sifón, Cristóbal; González, Jorge; Infante, Leopoldo; Felipe Barrientos, L.; Hilton, Matt; Bond, John R.; Hajian, Amir; Nolta, Michael R.; Das, Sudeep; Devlin, Mark J.; Marsden, Danica; Dunkley, Joanna; Hincks, Adam D.; Kosowsky, Arthur; Marriage, Tobias A.; Moodley, Kavilan; Niemack, Michael D.

    2012-01-01

    We present a detailed analysis from new multi-wavelength observations of the exceptional galaxy cluster ACT-CL J0102–4915, likely the most massive, hottest, most X-ray luminous and brightest Sunyaev-Zel'dovich (SZ) effect cluster known at redshifts greater than 0.6. The Atacama Cosmology Telescope (ACT) collaboration discovered ACT-CL J0102–4915 as the most significant SZ decrement in a sky survey area of 755 deg 2 . Our Very Large Telescope (VLT)/FORS2 spectra of 89 member galaxies yield a cluster redshift, z = 0.870, and velocity dispersion, σ gal = 1321 ± 106 km s –1 . Our Chandra observations reveal a hot and X-ray luminous system with an integrated temperature of T X = 14.5 ± 0.1 keV and 0.5-2.0 keV band luminosity of L X = (2.19 ± 0.11) × 10 45 h –2 70 erg s –1 . We obtain several statistically consistent cluster mass estimates; using empirical mass scaling relations with velocity dispersion, X-ray Y X , and integrated SZ distortion, we estimate a cluster mass of M 200a = (2.16 ± 0.32) × 10 15 h –1 70 M ☉ . We constrain the stellar content of the cluster to be less than 1% of the total mass, using Spitzer IRAC and optical imaging. The Chandra and VLT/FORS2 optical data also reveal that ACT-CL J0102–4915 is undergoing a major merger between components with a mass ratio of approximately 2 to 1. The X-ray data show significant temperature variations from a low of 6.6 ± 0.7 keV at the merging low-entropy, high-metallicity, cool core to a high of 22 ± 6 keV. We also see a wake in the X-ray surface brightness and deprojected gas density caused by the passage of one cluster through the other. Archival radio data at 843 MHz reveal diffuse radio emission that, if associated with the cluster, indicates the presence of an intense double radio relic, hosted by the highest redshift cluster yet. ACT-CL J0102–4915 is possibly a high-redshift analog of the famous Bullet cluster. Such a massive cluster at this redshift is rare, although consistent

  14. Formation of an Ion-Pair Molecule with a Single NH+...Cl- Hydrogen Bond: Raman spectra of 1,1,3,3-Tetramethylguanidinium chloride in the solid state, in solution and in the vapor phase

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Riisager, Anders; Fehrmann, Rasmus

    2008-01-01

    Some ionic compounds (salts) form liquids when heated to temperatures in the range of 200-300 °C. They may be referred to as moderate temperature ionic liquids. An example of such a compound is the 1,1,3,3- tetramethylguanidinium chloride, [TMGH]Cl, melting at ∼212 °C. The chemistry of this compo......Some ionic compounds (salts) form liquids when heated to temperatures in the range of 200-300 °C. They may be referred to as moderate temperature ionic liquids. An example of such a compound is the 1,1,3,3- tetramethylguanidinium chloride, [TMGH]Cl, melting at ∼212 °C. The chemistry...... and the dimeric chloride ion-pair salt converged to give geometries near the established crystal structure of [TMGH]Cl. The structures and their binding energies are given as well as calculated vibrational harmonic normal modes (IR and Raman band wavenumbers and intensities). Experimentally obtained Raman...... scattering spectra are presented and assigned, by comparing to the quantum mechanical calculations. It is concluded that dimeric molecular ion pairs with four N-H+ · · · Cl- hydrogen bonds probably exist in the solutions and are responsible for the relatively high solubility of the “salt” in ethanol...

  15. Study of the transverse mass spectra of strange particles in Pb-Pb collisions at 158 A GeV/c

    Czech Academy of Sciences Publication Activity Database

    Antinori, F.; Bacon, P. A.; Badala, A.; Staroba, Pavel; Závada, Petr

    2004-01-01

    Roč. 30, - (2004), s. 823-840 ISSN 0954-3899 R&D Projects: GA AV ČR KSK1048102 Keywords : NA57 experiment * K o s, .XI. and .OMEGA. hyperons * Pb-Pb collisions at 158 A GeV/c * ultrarelativistic heavy-ion collisions * transverse mass spectra * excited nuclear matter * phase transition Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 1.533, year: 2004

  16. Microstructure and Thermal Properties of Polypropylene/Clay Nanocomposites with TiCl4/MgCl2/Clay Compound Catalyst

    Directory of Open Access Journals (Sweden)

    Limei Wang

    2015-01-01

    Full Text Available Polypropylene (PP/clay nanocomposites were synthesized by in situ intercalative polymerization with TiCl4/MgCl2/clay compound catalyst. Microstructure and thermal properties of PP/clay nanocomposites were studied in detail. Fourier transform infrared (FTIR spectra indicated that PP/clay nanocomposites were successfully prepared. Both wide-angle X-ray diffraction (XRD and transmission electron microscopy (TEM examination proved that clay layers are homogeneously distributed in PP matrix. XRD patterns also showed that the α phase was the dominate crystal phase of PP in the nanocomposites. Thermogravimetric analysis (TGA examinations confirmed that thermal stability of PP/clay nanocomposites was markedly superior to pure PP. Differential scanning calorimetry (DSC scans showed that the melt temperature and the crystallinity of nanocomposites were slightly lower than those of pure PP due to crystals imperfections.

  17. Quantifying biological samples using Linear Poisson Independent Component Analysis for MALDI-ToF mass spectra

    Science.gov (United States)

    Deepaisarn, S; Tar, P D; Thacker, N A; Seepujak, A; McMahon, A W

    2018-01-01

    Abstract Motivation Matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry (MALDI) facilitates the analysis of large organic molecules. However, the complexity of biological samples and MALDI data acquisition leads to high levels of variation, making reliable quantification of samples difficult. We present a new analysis approach that we believe is well-suited to the properties of MALDI mass spectra, based upon an Independent Component Analysis derived for Poisson sampled data. Simple analyses have been limited to studying small numbers of mass peaks, via peak ratios, which is known to be inefficient. Conventional PCA and ICA methods have also been applied, which extract correlations between any number of peaks, but we argue makes inappropriate assumptions regarding data noise, i.e. uniform and Gaussian. Results We provide evidence that the Gaussian assumption is incorrect, motivating the need for our Poisson approach. The method is demonstrated by making proportion measurements from lipid-rich binary mixtures of lamb brain and liver, and also goat and cow milk. These allow our measurements and error predictions to be compared to ground truth. Availability and implementation Software is available via the open source image analysis system TINA Vision, www.tina-vision.net. Contact paul.tar@manchester.ac.uk Supplementary information Supplementary data are available at Bioinformatics online. PMID:29091994

  18. A Higgs at 125.1 GeV and baryon mass spectra derived from a Common U(3) Lie group framework

    DEFF Research Database (Denmark)

    Trinhammer, Ole; Bohr, Henrik; Jensen, Mogens O Stibius

    2015-01-01

    Baryons are described by a Hamiltonian on an intrinsic U(3) Lie group configuration space with electroweak degrees of freedom originating in specific Bloch wave factors. By opening the Bloch degrees of freedom pairwise via a U(2) Higgs mechanism, the strong and electroweak energy scales become...... related to yield the Higgs mass 125.085+/-0.017 GeV and the usual gauge boson masses. From the same Hamiltonian we derive both the relative neutron to proton mass ratio and the N and Delta mass spectra. All compare rather well with the experimental values. We predict neutral flavour baryon singlets...... to be sought for in negative pions scattering on protons or in photoproduction on neutrons and in invariant mass like Σ+c(2455)D- from various decays above the open charm threshold, e.g. at 4499, 4652 and 4723 MeV. The fundamental predictions are based on just one length scale and the fine structure coupling...

  19. Large Band Gap of alpha-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopy

    Science.gov (United States)

    Sinn, Soobin; Kim, Choong Hyun; Sandilands, Luke; Lee, Kyungdong; Won, Choongjae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

    The Kitaev honeycomb lattice model has attracted great attention because of its possibility to stabilize a quantum spin liquid ground state. Recently, it was proposed that alpha-RuCl3 is its material realization and the first 4 d relativistic Mott insulator from an optical spectrum and LDA + U + SO calculations. Here, we present photoemission and inverse photoemission spectra of alpha-RuCl3. The observed band gap is about 1.8 eV, which suggests that the previously assigned optical gap of 0.3 eV is misinterpreted, and that the strong peak at about 1.2 eV in the optical spectrum may be associated with an actual optical gap. Assuming a strong excitonic effect of 0.6 eV in the optical spectrum, all the structures except for the peak at 0.3 eV are consistent with our electronic spectra. When compared with LDA + U + SO calculations, the value of U should be considerably larger than the previous one, which implies that the spin-orbit coupling is not a necessary ingredient for the insulating mechanism of alpha-RuCl3. We also present angle-resolved photoemission spectra to be compared with LDA + U + SO and LDA +DMFT calculations.

  20. Diffusion of chlorine in single-crystal (Sr,Y)Cl2.03

    International Nuclear Information System (INIS)

    Goff, J.P.; Hayes, W.; Ward, R.C.C; Hull, S.; Hutchings, M.T.

    1992-01-01

    Quasielastic energy broadening of the incoherent neutron scattering from single-crystal (Sr,Y)Cl 2.03 has been studied at elevated temperatures using the time-of-flight spectrometer IRIS at the Rutherford-Appleton Laboratory. Incoherent spectra measured at temperatures of 923 and 973 K have been fitted by a Chudley-Elliott model, in which individual anions occupy sites for a mean residence time τ before hopping to adjacent regular lattice sites. These results obtained from an anion-excess system are compared with a previous investigation of chlorine diffusion in pure SrCl 2 . (orig.)

  1. THE ATACAMA COSMOLOGY TELESCOPE: ACT-CL J0102-4915 'EL GORDO', A MASSIVE MERGING CLUSTER AT REDSHIFT 0.87

    Energy Technology Data Exchange (ETDEWEB)

    Menanteau, Felipe; Hughes, John P.; Baker, Andrew J. [Department of Physics and Astronomy, Rutgers University, 136 Frelinghuysen Rd, Piscataway, NJ 08854 (United States); Sifon, Cristobal; Gonzalez, Jorge; Infante, Leopoldo; Felipe Barrientos, L. [Departamento de Astronomia y Astrofisica, Facultad de Fisica, Pontificia Universidad Catolica de Chile, Casilla 306, Santiago 22 (Chile); Hilton, Matt [School of Physics and Astronomy, University of Nottingham, University Park, Nottingham, NG7 2RD (United Kingdom); Bond, John R.; Hajian, Amir; Nolta, Michael R. [Canadian Institute for Theoretical Astrophysics, University of Toronto, Toronto, ON M5S 3H8 (Canada); Das, Sudeep [Berkeley Center for Cosmological Physics, LBL and Department of Physics, University of California, Berkeley, CA 94720 (United States); Devlin, Mark J.; Marsden, Danica [Department of Physics and Astronomy, University of Pennsylvania, 209 South 33rd Street, Philadelphia, PA 19104 (United States); Dunkley, Joanna [Department of Astrophysics, Oxford University, Oxford, OX1 3RH (United Kingdom); Hincks, Adam D. [Joseph Henry Laboratories of Physics, Jadwin Hall, Princeton University, Princeton, NJ 08544 (United States); Kosowsky, Arthur [Physics and Astronomy Department, University of Pittsburgh, 100 Allen Hall, 3941 O' Hara Street, Pittsburgh, PA 15260 (United States); Marriage, Tobias A. [Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, MD 21218-2686 (United States); Moodley, Kavilan [Astrophysics and Cosmology Research Unit, School of Mathematical Sciences, University of KwaZulu-Natal, Durban 4041 (South Africa); Niemack, Michael D. [NIST Quantum Devices Group, 325 Broadway Mailcode 817.03, Boulder, CO 80305 (United States); and others

    2012-03-20

    We present a detailed analysis from new multi-wavelength observations of the exceptional galaxy cluster ACT-CL J0102-4915, likely the most massive, hottest, most X-ray luminous and brightest Sunyaev-Zel'dovich (SZ) effect cluster known at redshifts greater than 0.6. The Atacama Cosmology Telescope (ACT) collaboration discovered ACT-CL J0102-4915 as the most significant SZ decrement in a sky survey area of 755 deg{sup 2}. Our Very Large Telescope (VLT)/FORS2 spectra of 89 member galaxies yield a cluster redshift, z = 0.870, and velocity dispersion, {sigma}{sub gal} = 1321 {+-} 106 km s{sup -1}. Our Chandra observations reveal a hot and X-ray luminous system with an integrated temperature of T{sub X} = 14.5 {+-} 0.1 keV and 0.5-2.0 keV band luminosity of L{sub X} = (2.19 {+-} 0.11) Multiplication-Sign 10{sup 45} h{sup -2}{sub 70} erg s{sup -1}. We obtain several statistically consistent cluster mass estimates; using empirical mass scaling relations with velocity dispersion, X-ray Y{sub X}, and integrated SZ distortion, we estimate a cluster mass of M{sub 200a} = (2.16 {+-} 0.32) Multiplication-Sign 10{sup 15} h{sup -1}{sub 70} M{sub Sun }. We constrain the stellar content of the cluster to be less than 1% of the total mass, using Spitzer IRAC and optical imaging. The Chandra and VLT/FORS2 optical data also reveal that ACT-CL J0102-4915 is undergoing a major merger between components with a mass ratio of approximately 2 to 1. The X-ray data show significant temperature variations from a low of 6.6 {+-} 0.7 keV at the merging low-entropy, high-metallicity, cool core to a high of 22 {+-} 6 keV. We also see a wake in the X-ray surface brightness and deprojected gas density caused by the passage of one cluster through the other. Archival radio data at 843 MHz reveal diffuse radio emission that, if associated with the cluster, indicates the presence of an intense double radio relic, hosted by the highest redshift cluster yet. ACT-CL J0102-4915 is possibly a high

  2. TWO EXTRASOLAR ASTEROIDS WITH LOW VOLATILE-ELEMENT MASS FRACTIONS

    International Nuclear Information System (INIS)

    Jura, M.; Xu, S.; Klein, B.; Zuckerman, B.; Koester, D.

    2012-01-01

    Using ultraviolet spectra obtained with the Cosmic Origins Spectrograph on the Hubble Space Telescope, we extend our previous ground-based optical determinations of the composition of the extrasolar asteroids accreted onto two white dwarfs, GD 40 and G241-6. Combining optical and ultraviolet spectra of these stars with He-dominated atmospheres, 13 and 12 polluting elements are confidently detected in GD 40 and G241-6, respectively. For the material accreted onto GD 40, the volatile elements C and S are deficient by more than a factor of 10 and N by at least a factor of 5 compared to their mass fractions in primitive CI chondrites and approach what is inferred for bulk Earth. A similar pattern is found for G241-6 except that S is undepleted. We have also newly detected or placed meaningful upper limits for the amount of Cl, Al, P, Ni, and Cu in the accreted matter. Extending results from optical studies, the mass fractions of refractory elements in the accreted parent bodies are similar to what is measured for bulk Earth and chondrites. Thermal processing, perhaps interior to a snow line, appears to be of central importance in determining the elemental compositions of these particular extrasolar asteroids.

  3. Positron trapping defects in free-volume investigation of Ge–Ga–S–CsCl glasses

    International Nuclear Information System (INIS)

    Klym, H.; Ingram, A.; Shpotyuk, O.; Hotra, O.; Popov, A.I.

    2016-01-01

    Evolution of free-volume positron trapping defects caused by crystallization process in (80GeS_2–20Ga_2S_3)_1_0_0_−_x(CsCl)_x, 0 ≤ x ≤ 15 chalcogenide-chalcohalide glasses was studied by positron annihilation lifetime technique. It is established that CsCl additives in Ge–Ga–S glassy matrix transform defect-related component spectra, indicating that the agglomeration of free-volume voids occurs in initial and crystallized (80GeS_2–20Ga_2S_3)_1_0_0_−_x(CsCl)_x, 0 ≤ x ≤ 10 glasses. Void fragmentation in (80GeS_2–20Ga_2S_3)_8_5(CsCl)_1_5 glass can be associated with loosing of their inner structure. Full crystallization in each of these glasses corresponds to the formation of defect-related voids. These trends are confirmed by positron-positronium decomposition algorithm. It is shown, that CsCl additives result in white shift in the visible regions in transmission spectra. The γ-irradiation of 80GeS_2–20Ga_2S_3 base glass leads to slight long-wavelength shift of the fundamental optical absorption edge and decreasing of transmission speaks in favor of possible formation of additional defects in glasses and their darkening. - Highlights: • CsCl additives in Ge–Ga–S glassy matrix lead to the agglomeration of voids. • Full crystallization of Ge–Ga–S–CsCl glasses corresponds to the formation of defect voids. • Gamma-irradiation of glass stimulates the creation of additional defects and darkening.

  4. UV-POSIT: Web-Based Tools for Rapid and Facile Structural Interpretation of Ultraviolet Photodissociation (UVPD) Mass Spectra

    Science.gov (United States)

    Rosenberg, Jake; Parker, W. Ryan; Cammarata, Michael B.; Brodbelt, Jennifer S.

    2018-04-01

    UV-POSIT (Ultraviolet Photodissociation Online Structure Interrogation Tools) is a suite of web-based tools designed to facilitate the rapid interpretation of data from native mass spectrometry experiments making use of 193 nm ultraviolet photodissociation (UVPD). The suite includes four separate utilities which assist in the calculation of fragment ion abundances as a function of backbone cleavage sites and sequence position; the localization of charge sites in intact proteins; the calculation of hydrogen elimination propensity for a-type fragment ions; and mass-offset searching of UVPD spectra to identify unknown modifications and assess false positive fragment identifications. UV-POSIT is implemented as a Python/Flask web application hosted at http://uv-posit.cm.utexas.edu. UV-POSIT is available under the MIT license, and the source code is available at https://github.com/jarosenb/UV_POSIT. [Figure not available: see fulltext.

  5. UV-POSIT: Web-Based Tools for Rapid and Facile Structural Interpretation of Ultraviolet Photodissociation (UVPD) Mass Spectra.

    Science.gov (United States)

    Rosenberg, Jake; Parker, W Ryan; Cammarata, Michael B; Brodbelt, Jennifer S

    2018-04-06

    UV-POSIT (Ultraviolet Photodissociation Online Structure Interrogation Tools) is a suite of web-based tools designed to facilitate the rapid interpretation of data from native mass spectrometry experiments making use of 193 nm ultraviolet photodissociation (UVPD). The suite includes four separate utilities which assist in the calculation of fragment ion abundances as a function of backbone cleavage sites and sequence position; the localization of charge sites in intact proteins; the calculation of hydrogen elimination propensity for a-type fragment ions; and mass-offset searching of UVPD spectra to identify unknown modifications and assess false positive fragment identifications. UV-POSIT is implemented as a Python/Flask web application hosted at http://uv-posit.cm.utexas.edu . UV-POSIT is available under the MIT license, and the source code is available at https://github.com/jarosenb/UV_POSIT . Graphical Abstract.

  6. Energy levels of Ho3+ in HoCl63-

    International Nuclear Information System (INIS)

    Tanner, P.A.

    1987-01-01

    The 5 S 2 , 5 F 4 , 5 F 2 , 3 K 8 , 5 G 6 , 5 F 1 , 5 G 5 5 I 8 absorption spectra of Cs 2 NaHoCl 6 have been recorded at temperatures down to that of liquid helium and new assignments are made for the 5 S 2 , 5 F 4 , 3 K 8 and 5 G 5 terms of HoCl 6 3- . The 5 F 3 → 5 I 8 , 5 F 4 , 5 S 2 → 5 I 7 , 5 I 8 and 5 F 5 → 5 I 7 luminescence transitions of HoCl 6 3- in various elpasolite lattices are reported and assigned, together with luminescence decay measurements. Including the previously reported data, these results enable 57 of the first 60 crystal-field levels of HoCl 6 3- , comprising 14 Lsub(j) terms, to be firmly assigned and tentative assignments are made for the remaining three levels. The agreement between the calculated and observed crystal-field splittings is reasonable. (author)

  7. QUALITATIVE INTERPRETATION OF GALAXY SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez Almeida, J.; Morales-Luis, A. B. [Instituto de Astrofisica de Canarias, E-38205 La Laguna, Tenerife (Spain); Terlevich, R.; Terlevich, E. [Instituto Nacional de Astrofisica, Optica y Electronica, Tonantzintla, Puebla (Mexico); Cid Fernandes, R., E-mail: jos@iac.es, E-mail: abml@iac.es, E-mail: rjt@ast.cam.ac.uk, E-mail: eterlevi@inaoep.mx, E-mail: cid@astro.ufsc.br [Departamento de Fisica-CFM, Universidade Federal de Santa Catarina, P.O. Box 476, 88040-900 Florianopolis, SC (Brazil)

    2012-09-10

    We describe a simple step-by-step guide to qualitative interpretation of galaxy spectra. Rather than an alternative to existing automated tools, it is put forward as an instrument for quick-look analysis and for gaining physical insight when interpreting the outputs provided by automated tools. Though the recipe is for general application, it was developed for understanding the nature of the Automatic Spectroscopic K-means-based (ASK) template spectra. They resulted from the classification of all the galaxy spectra in the Sloan Digital Sky Survey data release 7, thus being a comprehensive representation of the galaxy spectra in the local universe. Using the recipe, we give a description of the properties of the gas and the stars that characterize the ASK classes, from those corresponding to passively evolving galaxies, to H II galaxies undergoing a galaxy-wide starburst. The qualitative analysis is found to be in excellent agreement with quantitative analyses of the same spectra. We compare the mean ages of the stellar populations with those inferred using the code STARLIGHT. We also examine the estimated gas-phase metallicity with the metallicities obtained using electron-temperature-based methods. A number of byproducts follow from the analysis. There is a tight correlation between the age of the stellar population and the metallicity of the gas, which is stronger than the correlations between galaxy mass and stellar age, and galaxy mass and gas metallicity. The galaxy spectra are known to follow a one-dimensional sequence, and we identify the luminosity-weighted mean stellar age as the affine parameter that describes the sequence. All ASK classes happen to have a significant fraction of old stars, although spectrum-wise they are outshined by the youngest populations. Old stars are metal-rich or metal-poor depending on whether they reside in passive galaxies or in star-forming galaxies.

  8. 75 FR 37994 - Airworthiness Directives; Bombardier, Inc. Model CL-600-1A11 (CL-600), CL-600-2A12 (CL-601), CL...

    Science.gov (United States)

    2010-07-01

    ... provides data for replacement of the accumulators. The commenter requests that stronger language be... numbers 1004 through 1085 inclusive; (2) Bombardier, Inc. CL-600-2A12 (CL-601) airplanes, serial numbers 3001 through 3066 inclusive; and (3) Bombardier, Inc. CL-600-2B16 (CL-601-3A, CL-601-3R, and CL- 604...

  9. Missing mass spectra in pp inelastic scattering at total energies of 23 GeV and 31 GeV

    CERN Document Server

    Albrow, M G; Barber, D P; Bogaerts, A; Bosnjakovic, B; Brooks, J R; Clegg, A B; Erné, F C; Gee, C N P; Locke, D H; Loebinger, F K; Murphy, P G; Rudge, A; Sens, Johannes C; Van der Veen, F

    1974-01-01

    Results are reported of measurements of the momentum spectra of protons emitted at small angles in inelastic reactions at the CERN ISR. The data are for total energies s/sup 1///sub 2/ of 23 GeV and 31 GeV. The structure of the peak at low values of the missing mass M (of the system recoiling against the observed proton) is studied. The missing mass distributions have the form (M/sup 2/)-/sup B(t)/ where t is the four-momentum transfer squared. B(t) drops from 0.98+or-0.06 at t=-0.15 GeV/sup 2/ to 0.20+or-0.15 at t=-1.65 GeV/sup 2/. The results are compared with a simple triple-Regge formula. (12 refs).

  10. Fabrication of AgX-loaded Ag2CO3 (X = Cl, I) composites and their efficient visible-light-driven photocatalytic activity

    International Nuclear Information System (INIS)

    Xu, Hui; Zhu, Jiaxiang; Song, Yongxiu; Zhu, Tingting; Zhao, Wenkai; Song, Yanhua; Da, Zulin; Liu, Chengbao; Li, Huaming

    2015-01-01

    Highlights: • The novel AgX/Ag 2 CO 3 composites have been synthesized by ion exchange reaction. • AgX/Ag 2 CO 3 exhibit higher photoactivity and stability than that of Ag 2 CO 3 . • The band structure of AgX/Ag 2 CO 3 is beneficial to improve the photoactivity. - Abstract: The novel visible-light-driven AgX/Ag 2 CO 3 (X = Cl, I) hybrid materials were synthesized by ion exchange reaction. The physical and chemical properties of the catalysts were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), energy dispersive spectrometer (EDS), transmission electron microscopy (TEM), diffuse-reflection spectra (DRS) and photocurrent techniques. The as-prepared AgX/Ag 2 CO 3 (X = Cl, I) composites showed higher photocatalytic activity than that of the pure Ag 2 CO 3 photocatalyst under visible light irradiation (λ ⩾ 400 nm) in the process of methylene blue (MB) degradation. The optimal mass percentage of AgCl and AgI in the AgX/Ag 2 CO 3 (X = Cl, I) composite was 20.54 wt% and 40 wt%, respectively. The enhancement of photocatalytic activity was attributed to the suitable band potential between AgX and Ag 2 CO 3 , which was beneficial to increase the separation efficiency of electrons and holes. Besides, the photocatalytic mechanism of AgX/Ag 2 CO 3 (X = Cl, I) composites was also proposed

  11. Electronic Structure of the Kitaev Material α-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopies

    Science.gov (United States)

    Sinn, Soobin; Kim, Choong Hyun; Kim, Beom Hyun; Lee, Kyung Dong; Won, Choong Jae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

    2016-12-01

    Recently, α-RuCl3 has attracted much attention as a possible material to realize the honeycomb Kitaev model of a quantum-spin-liquid state. Although the magnetic properties of α-RuCl3 have been extensively studied, its electronic structure, which is strongly related to its Kitaev physics, is poorly understood. Here, the electronic structure of α-RuCl3 was investigated by photoemission (PE) and inverse-photoemission (IPE) spectroscopies. The band gap was directly measured from the PE and IPE spectra and was found to be 1.9 eV, much larger than previously estimated values. Local density approximation (LDA) calculations showed that the on-site Coulomb interaction U could open the band gap without spin-orbit coupling (SOC). However, the SOC should also be incorporated to reproduce the proper gap size, indicating that the interplay between U and SOC plays an essential role. Several features of the PE and IPE spectra could not be explained by the results of LDA calculations. To explain such discrepancies, we performed configuration-interaction calculations for a RuCl63- cluster. The experimental data and calculations demonstrated that the 4d compound α-RuCl3 is a Jeff = 1/2 Mott insulator rather than a quasimolecular-orbital insulator. Our study also provides important physical parameters required for verifying the proposed Kitaev physics in α-RuCl3.

  12. Effect of AgCl NPs: Physical, thermal, absorption and luminescence properties

    Science.gov (United States)

    Nurhafizah, H.; Rohani, M. S.

    2017-06-01

    Silver nanoparticles (AgCl NPs) are embedded in Er3+/Nd3+ co-doped lithium niobate tellurite glasses of the form (68-x)TeO2-15Li2CO3-15Nb2O5-1Er2O3-1Nd2O3-(x)AgCl with x = 1,2 and 3 mol% via conventional melt-quenching technique. The physical properties such as density, ionic packing density, refractive index and electronic polarizability are computed utilizing the usual method. The existence of AgCl NPs with an average size of 3.7 nm is confirmed using TEM analysis. Moreover, the thermal stability and Hruby criterion of the glass decreases as the AgCl NPs content increases. The direct optical band gap are found decrease as the AgCl NPs content increase, but both indirect optical band gap and Urbach energy are found increases as AgCl NPs content increases. The luminescence spectra shows two strong emission which is the purple emission at 436 nm and red emission at 724 nm which also been observed has strong quenching due to the AgCl NPs, Er3+/Nd3+ dopant and modifier, lithium niobate which possessed magnetic penetration. These glass compositions may be potential for various applications such as solid state devices including laser.

  13. The interaction of CsCl with films of solid water

    CERN Document Server

    Borodin, A; Krischok, S; Kempter, V

    2003-01-01

    The interaction of CsCl molecules with films of solid water (three layers thick, typically), deposited on a tungsten crystal at 130 K, was studied. Metastable impact electron spectroscopy (MIES) and UPS(HeI) were applied to study the emission from Cl3p and Cs5p and the highest occupied states 1b sub 1 , 3a sub 1 and 1b sub 2 of molecular water. Below a critical stoichiometry of about CsCl centre dot nH sub 2 O with n=6 the UPS spectra are quite similar to those from chlorides solvated in liquid water in as much as the relative positions and intensities of the water and salt features are concerned; very little emission from the ionization of Cl3p and Cs5p is observed with MIES. We conclude that the CsCl molecules become solvated in the water film. As long as n>6, the water spectrum remains characteristic for condensed water; at n6, water molecules not involved directly into the hydration of the salt molecules desorb around 140 K. Around 160 K all water has disappeared from the surface. Above this temperature o...

  14. Interpretation of tandem mass spectra of posttranslationally modified peptides

    DEFF Research Database (Denmark)

    Bunkenborg, J.; Matthiesen, R.

    2013-01-01

    spectra and protein database search engines have been developed to match the experimental data to peptide candidates. In most studies there is a schism between discarding perfectly valid data and including nonsensical peptide identifications-this is currently a major bottleneck in data...

  15. Mass-Dependent and -Independent Fractionation of Mercury Isotope during Gas-Phase Oxidation of Elemental Mercury Vapor by Atomic Cl and Br.

    Science.gov (United States)

    Sun, Guangyi; Sommar, Jonas; Feng, Xinbin; Lin, Che-Jen; Ge, Maofa; Wang, Weigang; Yin, Runsheng; Fu, Xuewu; Shang, Lihai

    2016-09-06

    This study presents the first measurement of Hg stable isotope fractionation during gas-phase oxidation of Hg(0) vapor by halogen atoms (Cl(•), Br(•)) in the laboratory at 750 ± 1 Torr and 298 ± 3 K. Using a relative rate technique, the rate coefficients for Hg(0)+Cl(•) and Hg(0)+Br(•) reactions are determined to be (1.8 ± 0.5) × 10(-11) and (1.6 ± 0.8) × 10(-12) cm(3) molecule(-1) s(-1), respectively. Results show that heavier isotopes are preferentially enriched in the remaining Hg(0) during Cl(•) initiated oxidation, whereas being enriched in the product during oxidation by Br(•). The fractionation factors for (202)Hg/(198)Hg during the Cl(•) and Br(•) initiated oxidations are α(202/198) = 0.99941 ± 0.00006 (2σ) and 1.00074 ± 0.00014 (2σ), respectively. A Δ(199)Hg/Δ(201)Hg ratio of 1.64 ± 0.30 (2σ) during oxidation of Hg(0) by Br atoms suggests that Hg-MIF is introduced by the nuclear volume effect (NVE). In contrast, the Hg(0) + Cl(•) reaction produces a Δ(199)Hg/Δ(201)Hg-slope of 1.89 ± 0.18 (2σ), which in addition to a high degree of odd-mass-number isotope MIF suggests impacts from MIF effects other than NVE. This reaction also exhibits significant MIF of (200)Hg (Δ(200)Hg, up to -0.17‰ in the reactant) and is the first physicochemical process identified to trigger (200)Hg anomalies that are frequently detected in atmospheric samples.

  16. SYNTHESIS OF 4’-ALLYLBENZO-3N-CROWN-N ETHERS AND THEIR MASS SPECTRA COMPARED WITH BENZO-3N-CROWN-N ETHERS

    OpenAIRE

    Anwar, Chairil

    2008-01-01

    Synthesis of 4’allylbenzo-3n-crown-n ethers was carried out by reacting demethylated eugenol with α,ω-dichloro-oligoethylene glycols in 1-butanol under basic condition. The mass spectra of 4’allylbenzo-3n-crown-n and benzo-3n-crown-n were investigated by mass spectrometry using electron impact under 70 eV of electron bombardment as ionisation method. The difference between the group of compounds is only the present of allyl moiety as a side chain at the other side of benzene ring. The first g...

  17. Liquid-vapor equilibrium in LaCl3-LuCl3 and PrCl3-NdCl3 systems

    International Nuclear Information System (INIS)

    Nisel'son, L.A.; Lyzlov, Yu.N.; Solov'ev, S.I.

    1978-01-01

    The liquid-vapour equilibrium in the systems LaCl 3 -LuCl 3 and PrCl 3 -NdCl 3 was studied by the boiling-point method. It was established that the system LaCl 3 -LuCl 3 is near-ideal. In the PrCl 3 -NdCl 3 system, a considerable positive deviation from the ideal with the formation of an azeotrope was detected. The azeotrope has a ''smeared-out'' minimum, which falls on a mixture containing approximately 65 mol.% neodymium trichloride. The boiling point of this mixture at a pressure of 1 mm Hg is approximately 975 deg C. The relative volatility coefficients in both systems were studied by the Raleigh distillation method. The presence of the azeotrope in the system PrCl 3 -NdCl 3 is confirmed by the nature of the dependence of the relative volatility coefficient on the composition of the mixture

  18. Radiation processes in organic halides (Cl, Br, I) studied by ESR spectroscopy

    International Nuclear Information System (INIS)

    Symons, M.C.R.

    1980-01-01

    Electron-loss from alkyl halides (Cl, Br, I) gives Rhal. + which may dimerise to give (Rhal-halR) + σ* radicals with characteristic ESR spectra, or may lose H + to give α-halo radicals (R 2 Chal) also with well characterised ESR spectra. Electron-capture gives dissociation, but there may be weak residual charge-transfer interaction between R. and hal - which gives rise to well defined hyperfine coupling from the halide nuclei. Loss of β-hydrogen gives β-halo radicals, R 2 C-CH 2 hal (Cl,Br) whose conformation, established by ESR spectroscopy, is such that the halogen atom lies out of the radical plane so that overlap between the half-filled 2p(π) orbital and the C-hal (σ) orbital is maximised. Electron addition to α-halocarboxylates and related compounds probably gives β-halo radical anions, (R 2 C[hal]CO 2 H) - with a similar preferred conformation. Alternative structures are considered for these species. (author)

  19. Relation between Kitaev magnetism and structure in α -RuCl3

    Science.gov (United States)

    Glamazda, A.; Lemmens, P.; Do, S.-H.; Kwon, Y. S.; Choi, K.-Y.

    2017-05-01

    Raman scattering has been employed to investigate lattice and magnetic excitations of the honeycomb Kitaev material α -RuCl3 and its Heisenberg counterpart CrCl3. Our phonon Raman spectra give evidence for a first-order structural transition from a monoclinic to a rhombohedral structure for both compounds. Significantly, only α -RuCl3 features a large thermal hysteresis, consistent with the formation of a wide phase of coexistence. In the related temperature interval of 70 -170 K, we observe a hysteretic behavior of magnetic excitations as well. The stronger magnetic response in the rhombohedral compared to the monoclinic phase evidences a coupling between the crystallographic structure and low-energy magnetic response. Our results demonstrate that the Kitaev magnetism concomitant with fractionalized excitations is susceptible to small variations of bonding geometry.

  20. A new method to discriminate secondary organic aerosols from different sources using high-resolution aerosol mass spectra

    Science.gov (United States)

    Heringa, M. F.; Decarlo, P. F.; Chirico, R.; Tritscher, T.; Clairotte, M.; Mohr, C.; Crippa, M.; Slowik, J. G.; Pfaffenberger, L.; Dommen, J.; Weingartner, E.; Prévôt, A. S. H.; Baltensperger, U.

    2012-02-01

    Organic aerosol (OA) represents a significant and often major fraction of the non-refractory PM1 (particulate matter with an aerodynamic diameter da car and a two-stroke Euro 2 scooter were characterized with an Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-TOF-AMS) and compared to SOA from α-pinene. The emissions were sampled from the chimney/tailpipe by a heated inlet system and filtered before injection into a smog chamber. The gas phase emissions were irradiated by xenon arc lamps to initiate photo-chemistry which led to nucleation and subsequent particle growth by SOA production. Duplicate experiments were performed for each SOA type, with the averaged organic mass spectra showing Pearson's r values >0.94 for the correlations between the four different SOA types after five hours of aging. High-resolution mass spectra (HR-MS) showed that the dominant peaks in the MS, m/z 43 and 44, are dominated by the oxygenated ions C2H3O+ and CO2+, respectively, similarly to the relatively fresh semi-volatile oxygenated OA (SV-OOA) observed in the ambient aerosol. The atomic O:C ratios were found to be in the range of 0.25-0.55 with no major increase during the first five hours of aging. On average, the diesel SOA showed the lowest O:C ratio followed by SOA from wood burning, α-pinene and the scooter emissions. Grouping the fragment ions revealed that the SOA source with the highest O:C ratio had the largest fraction of small ions. The HR data of the four sources could be clustered and separated using principal component analysis (PCA). The model showed a significant separation of the four SOA types and clustering of the duplicate experiments on the first two principal components (PCs), which explained 79% of the total variance. Projection of ambient SV-OOA spectra resolved by positive matrix factorization (PMF) showed that this approach could be useful to identify large contributions of the tested SOA sources to SV-OOA. The first results from this

  1. Analysis of organic compounds by secondary neutral mass spectrometry (SNMS) and secondary ion mass spectrometry (SIMS)

    International Nuclear Information System (INIS)

    Ewinger, H.P.

    1993-05-01

    This study is about the use of secondary neutral mass spectrometry (SNMS) and secondary ion mass spectrometry (SIMS) as analytical techniques with depth resolution in determining organic components in environmental solid microparticles. The first application of plasma SNMS to organic compounds revealed the spectra to be composed mainly of signals from the atoms of all participating elements, such as C, H, O, N, S, P, and Cl. In addition, signals produced by multi-atomic clusters can be detected, such as CH, C 2 , CH 2 , C 2 H, and C 3 , as well as signals indicating the presence of organic compounds with hetero elements, such as OH, NH, and CN. Their intensity decreases very markedly with increasing numbers of atoms. Among the signals from bi-atomic clusters, those coming from elements with large mass differences are most intense. The use of plasma SNMS with organic compounds has shown that, except for spurious chemical reactions induced by ion bombardment and photodesorption by the photons of the plasma, it is possible to analyze with resolution in depth, elements of organic solids. A more detailed molecular characterization of organic compounds is possible by means of SIMS on the basis of multi-atomic fragments and by comparison with suitable signal patterns. (orig./BBR) [de

  2. Conformation and orientation effects in the x-ray photoelectron spectra of organic polymers

    International Nuclear Information System (INIS)

    Beamson, G.

    2001-01-01

    Conformation and orientation effects in the XPS spectra of organic polymers are small but can be observed with modem high performance equipment. This paper discusses some of the experimental factors that should be considered when attempting to detect such effects, and describes several recent studies which illustrate the subtle phenomena that can now be observed. Conformation effects, revealed by melting semicrystalline polymer samples in the analysis chamber of an XPS spectrometer, are reported for the valence band and C 1s spectra of nylon 12 and poly(ethylene adipate), and for the valence band spectrum of poly(ethylene succinate). For nylon 12 the changes in the C 2s region of the valence band spectrum are interpreted in terms of disordering of the planar zig-zag conformation of the (CH 2 ) 11 segments of the polymer chain. Pendant group surface orientation effects, detected by angle resolved XPS (with emission angles as low as 5 deg. relative to the sample surface), are reported for poly(2-chloroethyl methacrylate) (PCEMA), poly(lauryl methacrylate) (PLMA) and poly(2-hydroxyethyl methacrylate) (PHEMA). For PCEMA and PLMA the uppermost surfaces are enriched with -CH 2 CH 2 Cl and -(CH 2 ) 11 CH 3 pendant groups respectively, whereas for PHEMA the data suggest relatively few -CH 2 CH 2 OH pendant groups at the surface. The C 1s and Cl 2p spectra of PCEMA reveal surface core level binding energy shifts of - +0.2 eV, and the Cl L 23 M 23 M 23 spectrum a surface Auger kinetic energy shift of ∼ -0.6. The C 1s spectra of PLMA and PHEMA also reveal surface core level shifts and for PLMA this is interpreted in terms of a disordered and open arrangement of the -(CH 2 ) 11 CH 3 pendant groups at the polymer surface. (author)

  3. Propagating particle density fluctuations in molten NaCl

    International Nuclear Information System (INIS)

    Demmel, F.; Hosokawa, S.; Pilgrim, W.-C.; Lorenzen, M.

    2004-01-01

    In this paper we present the observation of acoustic modes in the spectra of molten NaCl measured over a large momentum transfer range using synchrotron radiation. A surprisingly large positive dispersion was deduced with a mode velocity exceeding the adiabatic value by nearly 70%. The large effect seems to be describable as a viscoelastic reaction of the liquid. Additionally, the derived dispersion resembles the Q-ω relation of the acoustic modes in liquid sodium. As an explanation for the large positive dispersion we propose that the density fluctuations in molten NaCl can be interpreted as a decoupled motion of the lighter and smaller cations on a nearly resting anionic background. These molten alkali halide measurements are the first experimental evidences for the so-called fast sound in a binary ionic liquid

  4. 23Na and 35/37Cl as NMR probes of growth and shape of sodium taurodeoxycholate micellar aggregates in the presence of NaCl.

    Science.gov (United States)

    Asaro, Fioretta; Feruglio, Luigi; Galantini, Luciano; Nardelli, Alessia

    2013-02-15

    The growth of the aggregates of the dihydroxylated bile salt sodium taurodeoxycholate (NaTDC) upon NaCl addition and the involvement of the counterion were investigated by NMR spectroscopy of monoatomic ionic species. (23)Na T(1) values from 0.015, 0.100, and 0.200 mol kg(-1) NaTDC solutions in D(2)O, at variable NaCl content, proved to be sensitive to the transition from primary to secondary aggregates, which occurs in the former sample, and to intermicellar interaction. Some (79)Br NMR measurements were performed on a 0.100 mol kg(-1) NaTDC sample added by NaBr in place of NaCl for comparison purposes. The (23)Na, (35)Cl, and (37)Cl double quantum filtered (DQF) patterns, from the 0.100 mol kg(-1) NaTDC sample, and (23)Na ones also from the 0.200 mol kg(-1) NaTDC one, in the presence of 0.750 mol kg(-1) NaCl, are a clear manifestation of motional anisotropy. Moreover, the DQF spectra of (23)Na and (37)Cl, which possess close quadrupole moments, display a striking similarity. The DQF lineshapes were simulated exploiting the Scilab environment to obtain an estimate of the residual quadrupole splitting magnitude. These results support the description of NaTDC micelles as cylindrical aggregates, strongly interacting at high ionic strengths, and capable of association with added electrolytes. Copyright © 2012 Elsevier Inc. All rights reserved.

  5. A new method to discriminate secondary organic aerosols from different sources using high-resolution aerosol mass spectra

    Directory of Open Access Journals (Sweden)

    M. F. Heringa

    2012-02-01

    Full Text Available Organic aerosol (OA represents a significant and often major fraction of the non-refractory PM1 (particulate matter with an aerodynamic diameter da < 1 μm mass. Secondary organic aerosol (SOA is an important contributor to the OA and can be formed from biogenic and anthropogenic precursors. Here we present results from the characterization of SOA produced from the emissions of three different anthropogenic sources. SOA from a log wood burner, a Euro 2 diesel car and a two-stroke Euro 2 scooter were characterized with an Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-TOF-AMS and compared to SOA from α-pinene.

    The emissions were sampled from the chimney/tailpipe by a heated inlet system and filtered before injection into a smog chamber. The gas phase emissions were irradiated by xenon arc lamps to initiate photo-chemistry which led to nucleation and subsequent particle growth by SOA production.

    Duplicate experiments were performed for each SOA type, with the averaged organic mass spectra showing Pearson's r values >0.94 for the correlations between the four different SOA types after five hours of aging. High-resolution mass spectra (HR-MS showed that the dominant peaks in the MS, m/z 43 and 44, are dominated by the oxygenated ions C2H3O+ and CO2+, respectively, similarly to the relatively fresh semi-volatile oxygenated OA (SV-OOA observed in the ambient aerosol. The atomic O:C ratios were found to be in the range of 0.25–0.55 with no major increase during the first five hours of aging. On average, the diesel SOA showed the lowest O:C ratio followed by SOA from wood burning, α-pinene and the scooter emissions. Grouping the fragment ions revealed that the SOA source with the highest O:C ratio had the largest fraction of small ions.

    The HR data of the four sources could be clustered and separated using

  6. Measurement and interpretation of plutonium spectra

    International Nuclear Information System (INIS)

    Blaise, J.; Fred, M.S.; Carnall, W.T.; Crosswhite, H.M.; Crosswhite, H.

    1982-01-01

    The atomic spectroscopic data available for plutonium are among the rickest of any in the periodic system. They include high-resolution grating and Fourier-transform spectra as well as extensive Zeeman and isotope-shift studies. We summarize the present status of the term analysis and cite the configurations that have been identified. A least-squares adjustment of a parametric Hamiltonian for configurations of both Pu I and Pu II has shown that almost all of the expected low levels are now known. The use of a model Hamiltonian applicable to both lanthanide and actinide atomic species has been applied to the low configurations of Pu I and Pu II making use of trends predicted by ab initio calculations. This same model has been used to describe the energy levels of Pu 3+ in LaCl 3 , and an extension has permitted preliminary calculations of the spectra of other valence states

  7. An experimental and theoretical study of the valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine

    Science.gov (United States)

    Holland, D. M. P.; Powis, I.; Trofimov, A. B.; Menzies, R. C.; Potts, A. W.; Karlsson, L.; Badsyuk, I. L.; Moskovskaya, T. E.; Gromov, E. V.; Schirmer, J.

    2017-10-01

    The valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine have been studied both experimentally and theoretically. Synchrotron radiation has been employed to record angle resolved photoelectron spectra in the photon energy range 20-100 eV, and these have enabled anisotropy parameters and branching ratios to be derived. The experimental results have been compared with theoretical predictions obtained using the continuum multiple scattering Xα approach. This comparison shows that the anisotropy parameter associated with the nominally chlorine lone-pair orbital lying in the molecular plane is strongly affected by the atomic Cooper minimum. In contrast, the photoionization dynamics of the second lone-pair orbital, orientated perpendicular to the molecular plane, seem relatively unaffected by this atomic phenomenon. The outer valence ionization has been studied theoretically using the third-order algebraic-diagrammatic construction (ADC(3)) approximation scheme for the one-particle Green's function, the outer valence Green's function method, and the equation-of-motion (EOM) coupled cluster (CC) theory at the level of the EOM-IP-CCSD and EOM-EE-CC3 models. The convergence of the results to the complete basis set limit has been investigated. The ADC(3) method has been employed to compute the complete valence shell ionization spectra of 2-chloropyridine and 3-chloropyridine. The relaxation mechanism for ionization of the nitrogen σ-type lone-pair orbital (σN LP) has been found to be different to that for the corresponding chlorine lone-pair (σCl LP). For the σN LP orbital, π-π* excitations play the main role in the screening of the lone-pair hole. In contrast, excitations localized at the chlorine site involving the chlorine πCl LP lone-pair and the Cl 4p Rydberg orbital are the most important for the σCl LP orbital. The calculated photoelectron spectra have allowed assignments to be proposed for most of the structure observed in the

  8. Isotope Effects in the Reactions of Chloroform Isotopologues with Cl, OH and OD

    DEFF Research Database (Denmark)

    Nilsson, Elna Johanna Kristina; Johnson, Matthew Stanley; Nielsen, Claus J.

    2009-01-01

    The kinetic isotope effects in the reactions of CHCl3, CDCl3, and 13CHCl3 with Cl, OH, and OD radicals have been determined in relative rate experiments at 298 ( 1 K and atmospheric pressure monitored by long path FTIR spectroscopy. The spectra were analyzed using a nonlinear least-squares spectral.......002, kCHCl3+OD/kCDCl3+OD ) 3.95 ( 0.03, and kCHCl3+OD/k13CHCl3+OD ) 1.032 ( 0.004. Larger isotope effects in the OH reactions than in the Cl reactions are opposite to the trends for CH4 and CH3Cl reported in the literature. The origin of these differences was investigated using electronic structure...

  9. Process and apparatus for determining molecular spectra

    International Nuclear Information System (INIS)

    Boesl, U.; Neusser, H.J.; Schlag, E.W.

    1984-01-01

    A process for determining molecular spectra in unseparated mixtures, in particular unseparated isotopic mixtures, which comprises allowing said mixture to successively flow through a photoreactor which is irradiated by an adjustable-wavelength laser and then through a mass spectrometer wherein the concentration of particles of specified mass is determined by variation of the wavelength of the laser or variation of the mass setting of the mass spectrometer in such a manner that a two-dimensional spectrum results having the parameters of wavelength and mass

  10. Independent component analysis for the extraction of reliable protein signal profiles from MALDI-TOF mass spectra.

    Science.gov (United States)

    Mantini, Dante; Petrucci, Francesca; Del Boccio, Piero; Pieragostino, Damiana; Di Nicola, Marta; Lugaresi, Alessandra; Federici, Giorgio; Sacchetta, Paolo; Di Ilio, Carmine; Urbani, Andrea

    2008-01-01

    Independent component analysis (ICA) is a signal processing technique that can be utilized to recover independent signals from a set of their linear mixtures. We propose ICA for the analysis of signals obtained from large proteomics investigations such as clinical multi-subject studies based on MALDI-TOF MS profiling. The method is validated on simulated and experimental data for demonstrating its capability of correctly extracting protein profiles from MALDI-TOF mass spectra. The comparison on peak detection with an open-source and two commercial methods shows its superior reliability in reducing the false discovery rate of protein peak masses. Moreover, the integration of ICA and statistical tests for detecting the differences in peak intensities between experimental groups allows to identify protein peaks that could be indicators of a diseased state. This data-driven approach demonstrates to be a promising tool for biomarker-discovery studies based on MALDI-TOF MS technology. The MATLAB implementation of the method described in the article and both simulated and experimental data are freely available at http://www.unich.it/proteomica/bioinf/.

  11. Reduction behaviors of Zr for LiCl-KCl-ZrCl4 and LiCl-KCl-ZrCl4-CdCl2

    International Nuclear Information System (INIS)

    Kim, Si Hyung; Yoon, Jongho; Kim, Gha Young; Kim, Tack Jin; Shim, Joon Bo; Kim, Kwang Rag; Jung, Jae Hoo; Ahn, Do Hee; Paek, Seungwoo

    2013-01-01

    The reduction potentials of most of the zirconium ions on the solid cathode are smaller (about 0.4V) than that of uranium, and thus zirconium can be recovered prior to uranium during the reduction stage. In the case of a liquid cadmium cathode, which is one of the major cathodes, the reduction potential can be changed because zirconium reacts with the liquid cadmium. Up to now, it has not been well known what the reduction potential of Zr was on the liquid Cd cathode. According to the Cd-Zr phase diagram, there are four intermetallic compounds between cadmium and zirconium. It is easier to use the solid cathode than the liquid cadmium cathode in LiCl-KCl-ZrCl 4 containing CdCl 2 to identify the formation of the Cd-Zr phase. In this study, the reduction behaviors of zirconium were compared in the LiCl-KCl-ZrCl 4 and LiCl-KCl-ZrCl 4 -CdCl 2 solutions when using a solid cathode. The reduction behavior of Zr at a solid W cathode and a Cd-coated W cathode was compared in a LiCl-KCl-ZrCl 4 solution at 500 .deg. C. It was observed from the results using a solid W cathode that Zr 4+ ions were gradually oxidized to Zr 2+ , Zr, and ZrCl during the reduction sweep, but the final oxidation peak of Zr 2+ to Zr 4+ seemed to be unclear during the oxidation sweep. In the case of the Cd-coated W electrode, only a Cd 2 Zr phase was formed at 500 .deg. C, which seemed to be related to the melting point of Cd-Zr intermetallics. Through additional studies at different temperatures, the formation behavior will be studied

  12. Molecular absorption spectra of beryllium, cerium, lanthanum, iron, and platinum salts

    International Nuclear Information System (INIS)

    Daidoji, Hidehiro

    1980-01-01

    The absorption spectra of some salts of beryllium, cerium, lanthanum, iron and platinum in air-acetylene flame were measured in the wavelength range from 200 to 400 nm. A Hitachi 207 type atomic absorption spectrophotometer was used. A deuterium lamp, a home-made continuous radiation lamp and some hollow cathode lamps were used as light sources. The new molecular absorption spectra of cerium, lanthanum and platinum and the absorption spectra due to Be(OH) 2 , LaO, PtH, FeO and FeCl in 200-400 nm region were obtained. Emission spectra of CeO, LaO and FeOH were also obtained. These molecular absorption bands were estimated as absorption errors of maximum 15 times to the sensitivity of each elements in atomic absorption spectrometry. In addition, spectral line interferences of iron were observed in atomic absorption spectrometry of Zn, Cd, Ni, Cu and Cr. (author)

  13. A fragmentation study of kaempferol using electrospray quadrupole time-of-flight mass spectrometry at high mass resolution

    Science.gov (United States)

    March, Raymond E.; Miao, Xiu-Sheng

    2004-02-01

    A mass spectrometric method based on the combined use of electrospray ionization, collision-induced dissociation and tandem mass spectrometry at high mass resolution has been applied to an investigation of the structural characterization of protonated and deprotonated kaempferol (3,5,7,4'-tetrahydroxyflavone). Low-energy product ion mass spectra of [M+H]+ ions showed simple fragmentations of the C ring that permitted characterization of the substituents in the A and B rings. In addition, four rearrangement reactions accompanied by losses of C2H2O, CHO[radical sign], CO, and H2O were observed. Low-energy product ion mass spectra of [M-H]- ions showed only four rearrangement reactions accompanied by losses of OH[radical sign], CO, CH2O, and C2H2O. The use of elevated cone voltages permitted observation of product ion mass spectra of selected primary and secondary fragment ions so that each fragment ion reported was observed as a direct product of its immediate precursor ion. Product ion mass spectra examined at high mass resolution allowed unambiguous determination of the elemental composition of fragment ions and resolution of two pairs of isobars. Fragmentation mechanisms and ion structures have been proposed.

  14. ?????????? ?????, ?????????? ??????????? ?? ?????????? ?????????? ????? ? ?????? ???????? ZnCl2 +NH4Cl

    OpenAIRE

    Kuntyi, Orest; Zozulya, Galyna

    2010-01-01

    Zinc cementation by magnesium from ZnCl2 + NH4Cl aqueous solutions has been investigated. The amount of magnesium has been established as 0.8?2.0 g per 1 g of conditioned zinc to obtain recovery degree ? 99 %. At low concentrations of Zn2+ ions (0.025?0.1 M ZnCl2) dispersed deposit is formed with nanoparticles of reduced metal; at high concentrations (0.25?0.5 M) coarse-crystalline and fern-shaped deposit is formed. ?????????? ?????????? ????? ??????? ? ?????? ???????? ZnCl2 + NH4Cl. ????????...

  15. Lattice Dynamics of NaCI, KCI, RbCl and RbF

    Energy Technology Data Exchange (ETDEWEB)

    Raunio, G; Rolandson, S [Physics Dept., Chalmers Univ. of Technology, Goet eborg (Sweden)

    1970-07-01

    In a series of earlier papers experimental results on phonon dispersion relations at 80 K in NaCl, KCl, RbCl and RbF have been reported. We now present calculations on these halides using the extended shell model approach with both ions polarizable and including next-nearest neighbour interactions. The parameters obtained in a least squares fit to the experimental points in the symmetry directions have been used to calculate the phonon frequencies in 512,000 equally spaced points in an octant of the Brillouin zone, -whereby, after sorting these into intervals of width {delta}{omega} = 2 x 10{sup 11} rad/sec , the frequency spectrum was obtained. From these spectra the variation of the Debye temperature with temperature was also calculated. The agreement with results from specific heat measurements for NaCl and KCl is quite satisfactory at low temperatures.

  16. General Notes on Processes and Their Spectra

    Directory of Open Access Journals (Sweden)

    Gustav Cepciansky

    2012-01-01

    Full Text Available The frequency spectrum performs one of the main characteristics of a process. The aim of the paper is to show the coherence between the process and its own spectrum and how the behaviour and properties of a process itself can be deduced from its spectrum. Processes are categorized and general principles of their spectra calculation and recognition are given. The main stress is put on power spectra of electric and optic signals, as they also perform a kind of processes. These spectra can be directly measured, observed and examined by means of spectral analyzers and they are very important characteristics which can not be omitted at transmission techniques in telecommunication technologies. Further, the paper also deals with non electric processes, mainly with processes and spectra at mass servicing and how these spectra can be utilised in praxis.

  17. Cl-36 in polar ice, rainwater and seawater

    Science.gov (United States)

    Finkel, R. C.; Nishiizumi, K.; Elmore, D.; Ferraro, R. D.; Gove, H. E.

    1980-01-01

    Concentrations of the cosmogenic radioisotope Cl-36 in Antarctic ice, rain, and an upper limit of the seawater value are determined using van de Graaff accelerator high energy mass spectrometry. Cl-36 concentrations in Antarctic ice range between 2.5 to 8.7 x 10 to the 6th atoms Cl-36/kg, while those concentrations in samples collected at the Alan Hills ice field locations where meteorites have been brought to the surface by glacial flow and ablation are found to vary by more than a factor of three. This variation is attributed either to the effects of atmospheric mixing and scavenging or to radioactive decay in old ice. The Cl-36 concentration found in a present sample of rainwater is much lower than that reported in samples collected in the early 1960's, suggesting the occurrence of a decrease in the concentration of atmospheric Cl-36 derived from nuclear weapons tests over this time period.

  18. Application of 36Cl as a dating tool for modern groundwater

    International Nuclear Information System (INIS)

    Tosaki, Yuki; Tase, Norio; Massmann, Gudrun; Nagashima, Yasuo; Seki, Riki; Takahashi, Tsutomu; Sasa, Kimikazu; Sueki, Keisuke; Matsuhiro, Takeshi; Miura, Taichi; Bessho, Kotaro; Matsumura, Hiroshi; He, Ming

    2007-01-01

    The 36 Cl/Cl ratios of groundwater samples were measured by accelerator mass spectrometry (AMS) in order to investigate the potential use of 36 Cl as a dating tool for modern groundwater. Groundwater samples were obtained from several piezometers in the Oderbruch in northeastern Germany. The shallow confined aquifer of the area is mainly recharged by the infiltration from the River Oder. From the results of measurements, the pre-bomb and the recent background 36 Cl/Cl ratios in the basin of the Oder were estimated to be 7-9 x 10 -14 . The 36 Cl fallout values estimated from the 36 Cl/Cl ratios of the Oderbruch samples, which were dated by the 3 H/ 3 He method, show good agreement with Dye-3 ice core data. These results suggest that the distribution of 36 Cl in groundwaters reflects the influence of the 36 Cl bomb pulse. This, in turn, suggests that the distribution of 36 Cl/Cl in modern groundwaters could reveal groundwater ages and flow systems in a region

  19. The effect of artificial seawater on SERS spectra of amino acids-Ag colloids: An experiment of prebiotic chemistry

    Science.gov (United States)

    Nascimento, Fernanda C.; Carneiro, Cristine E. A.; Santana, Henrique de; Zaia, Dimas A. M.

    2014-01-01

    The large enhancement of signal observed in surface enhanced Raman spectroscopy (SERS) could be helpful for identifying amino acids on the surface of other planets, in particular for Mars, as well as in prebiotic chemistry experiments of interaction minerals/amino acids. This paper reports the effect of several substances (NaCl, MgCl2, KBr, CaSO4, K2SO4, MgSO4, KI, NH4Cl, SrCl2, CaCl2, Na2SO4, KOH, NaOH, H3BO3) on the SERS spectra of colloid of sodium citrate-CSC and colloid of sodium borohydride-CSB. The effect of four different artificial seawaters and these artificial seawaters plus amino acids (α-Ala-alanine, Gly-glycine, Cys-cysteine, AIB-2-aminoisobutiric acid) on SERS spectra using both CSC and CSB was also studied. For CSC, the effect of water, after dilution of the colloid, was the appearance of several absorption bands belonging to sodium citrate in the SERS spectrum. In general, artificial seawaters enhanced several bands in SERS spectra using CSC and CSB and CSC was more sensitive to those artificial seawaters than CSB. The identification of Gly, α-Ala and AIB using CSC or CSB was not possible because several bands belonging to artificial seawaters, sodium citrate or sodium borohydride were enhanced. On the other hand, artificial seawaters did not interfere in the SERS spectra of Cys using CSC or CSB, although the interaction of Cys with each colloid was different. For CSC the band at 2568 cm-1 (S-H stretching) of Cys vanished and for CSB the intensity of this band decreased, indicating the -SH of Cys was bonded to Ag to form -S-Ag. Thus SERS spectroscopy could be used for Cys detection on Mars soils using Mars land rovers as well as to study the interaction between Cys and minerals in prebiotic chemistry experiments.

  20. DeNovoGUI: an open source graphical user interface for de novo sequencing of tandem mass spectra.

    Science.gov (United States)

    Muth, Thilo; Weilnböck, Lisa; Rapp, Erdmann; Huber, Christian G; Martens, Lennart; Vaudel, Marc; Barsnes, Harald

    2014-02-07

    De novo sequencing is a popular technique in proteomics for identifying peptides from tandem mass spectra without having to rely on a protein sequence database. Despite the strong potential of de novo sequencing algorithms, their adoption threshold remains quite high. We here present a user-friendly and lightweight graphical user interface called DeNovoGUI for running parallelized versions of the freely available de novo sequencing software PepNovo+, greatly simplifying the use of de novo sequencing in proteomics. Our platform-independent software is freely available under the permissible Apache2 open source license. Source code, binaries, and additional documentation are available at http://denovogui.googlecode.com .

  1. Crystal structure, vibrational spectra, optical and DFT studies of bis (3-azaniumylpropyl) azanium pentachloroantimonate (III) chloride monohydrate (C6H20N3)SbClCl·H2O

    Science.gov (United States)

    Ahmed, Houssem Eddine; Kamoun, Slaheddine

    2017-09-01

    The crystal structure of (C6H20N3)SbClCl·H2O is built up of [NH3(CH2)3NH2(CH2)3NH3]3 + cations, [SbCl5]2 - anions, free Cl- anions and neutral water molecules connected together by Nsbnd H ⋯ Cl, Nsbnd H ⋯ O and Osbnd H ⋯ Cl hydrogen bonds. The optical band gap determined by diffuse reflection spectroscopy (DRS) is 3.78 eV for a direct allowed transition. Optimized molecular geometry, atomic Mulliken charges, harmonic vibrational frequencies, HOMO-LUMO and related molecular properties of the (C6H20N3)SbClCl·H2O compound were calculated by Density functional theory (DFT) using B3LYP method with GenECP sets. The calculated structural parameters (bond lengths and angles) are in good agreement with the experimental XRD data. The vibrational unscaled wavenumbers were calculated and scaled by a proper scaling factor of 0.984. Acceptable consistency was observed between calculated and experimental results. The assignments of wavenumbers were made on the basis of potential energy distribution (PED) using Vibrational Energy Distribution Analysis (VEDA) software. The HOMO-LUMO study was extended to calculate various molecular parameters like ionization potential, electron affinity, global hardness, electro-chemical potential, electronegativity and global electrophilicity of the given molecule.

  2. 37Cl/35Cl isotope ratio analysis in perchlorate by ion chromatography/multi collector -ICPMS: Analytical performance and implication for biodegradation studies.

    Science.gov (United States)

    Zakon, Yevgeni; Ronen, Zeev; Halicz, Ludwik; Gelman, Faina

    2017-10-01

    In the present study we propose a new analytical method for 37 Cl/ 35 Cl analysis in perchlorate by Ion Chromatography(IC) coupled to Multicollector Inductively Coupled Plasma Mass Spectrometry (MC-ICPMS). The accuracy of the analytical method was validated by analysis of international perchlorate standard materials USGS-37 and USGS -38; analytical precision better than ±0.4‰ was achieved. 37 Cl/ 35 Cl isotope ratio analysis in perchlorate during laboratory biodegradation experiment with microbial cultures enriched from the contaminated soil in Israel resulted in isotope enrichment factor ε 37 Cl = -13.3 ± 1‰, which falls in the range reported previously for perchlorate biodegradation by pure microbial cultures. The proposed analytical method may significantly simplify the procedure for isotope analysis of perchlorate which is currently applied in environmental studies. Copyright © 2017. Published by Elsevier Ltd.

  3. Stable isotope analyses of oxygen (18O:17O:16O) and chlorine (37Cl:35Cl) in perchlorate: reference materials, calibrations, methods, and interferences

    Science.gov (United States)

    Böhlke, John Karl; Mroczkowski, Stanley J.; Sturchio, Neil C.; Heraty, Linnea J.; Richman, Kent W.; Sullivan, Donald B.; Griffith, Kris N.; Gu, Baohua; Hatzinger, Paul B.

    2017-01-01

    RationalePerchlorate (ClO4−) is a common trace constituent of water, soils, and plants; it has both natural and synthetic sources and is subject to biodegradation. The stable isotope ratios of Cl and O provide three independent quantities for ClO4− source attribution and natural attenuation studies: δ37Cl, δ18O, and δ17O (or Δ17O or 17Δ) values. Documented reference materials, calibration schemes, methods, and interferences will improve the reliability of such studies.MethodsThree large batches of KClO4 with contrasting isotopic compositions were synthesized and analyzed against VSMOW-SLAP, atmospheric O2, and international nitrate and chloride reference materials. Three analytical methods were tested for O isotopes: conversion of ClO4− to CO for continuous-flow IRMS (CO-CFIRMS), decomposition to O2 for dual-inlet IRMS (O2-DIIRMS), and decomposition to O2 with molecular-sieve trap (O2-DIIRMS+T). For Cl isotopes, KCl produced by thermal decomposition of KClO4 was reprecipitated as AgCl and converted into CH3Cl for DIIRMS.ResultsKClO4 isotopic reference materials (USGS37, USGS38, USGS39) represent a wide range of Cl and O isotopic compositions, including non-mass-dependent O isotopic variation. Isotopic fractionation and exchange can affect O isotope analyses of ClO4− depending on the decomposition method. Routine analyses can be adjusted for such effects by normalization, using reference materials prepared and analyzed as samples. Analytical errors caused by SO42−, NO3−, ReO42−, and C-bearing contaminants include isotope mixing and fractionation effects on CO and O2, plus direct interference from CO2 in the mass spectrometer. The results highlight the importance of effective purification of ClO4− from environmental samples.ConclusionsKClO4 reference materials are available for testing methods and calibrating isotopic data for ClO4− and other substances with widely varying Cl or O isotopic compositions. Current ClO4−extraction, purification

  4. Towards a full reference library of MS(n) spectra. II: A perspective from the library of pesticide spectra extracted from the literature/Internet.

    Science.gov (United States)

    Milman, Boris L; Zhurkovich, Inna K

    2011-12-30

    To gain perspective on building full transferable libraries of MS(n) spectra from their diverse/numerous collections, a new library was built from 1723 MS(>1) spectra (mainly MS² spectra) of 490 pesticides and related compounds. Spectra acquired on different types of tandem instruments in various experimental conditions were extracted from 168 literature articles and Internet sites. Testing of the library was based on searches where 'unknown' and reference spectra originated from different sources (mainly from different laboratories) were cross-compared. The NIST 05 MS² library was added to the reference spectra. The library searches were performed with all the test spectra or were divided into different subsamples containing (a) various numbers of replicate spectra of test compounds or (b) spectra acquired from different instrument types. Thus, the dependence of true/false search (identification) result rates on different factors was explored. The percentage of 1st rank correct identifications (true positives) for the only 'unknown' mass spectrum and two and more reference spectra and matching precursor ion m/z values was 89%. For qualified matches, above the cut-off match factor, that rate decreased to 80%. The corresponding rates based on the best match for two and more 'unknown' and reference spectral replicates were 89-94%. For quadrupole instruments, the rates were even higher: 91-95% (one 'unknown' spectrum) and 90-100% (two and more such spectra). This study shows that MS² spectral libraries generated from the numerous literature/Internet sources are not less efficient for the goal of identification of unknown compounds including pesticides than very common EI-MS¹ libraries and are almost as efficient as the most productive from current MS² spectral databases. Such libraries may be used as individual reference databases or supplements to large experimental spectral collections covering many groups of abundant compounds and different types of tandem

  5. Laboratory Measurements of Mass Specific Absorption Spectra for Suites of Black Carbon-like, Biomass Burning and Mineral Dust Aerosols

    Science.gov (United States)

    Radney, J.; Zangmeister, C.

    2017-12-01

    Light-absorbing atmospheric aerosols can be grouped into three categories: black carbon (BC), brown carbon (BrC) or mineral dust (MD). In many cases, the absorption of these species is best quantified using a mass-specific absorption cross section (MAC) since the particles are in the Rayleigh regime (BC) or optically thin (BrC and MD); notably, MAC values are both traceable to the SI and transferrable between photoacoustic spectroscopy and filter-based absorption measurements. Here, we present laboratory measurements of MAC for all three light-absorbing aerosol classes. Particles were size- and mass-selected using a differential mobility analyzer and aerosol particle mass analyzer, respectively, with absorption coefficients (αabs) and number concentrations (N) being measured by a broadband photoacoustic spectrometer and condensation particle counter, respectively. This suite of instrumentation allows for direct quantification of MAC from the measured parameters (MAC = αabs/Nmp). Further, the measurements contained > 8 data points spanning λ = 405 nm to 840 nm allowing for spectral curvatures (i.e. the Absorption Angstrom Exponent or AAE) to be fit from many data points versus the more common 2-point interpolations. For the carbonaceous, BC-like aerosols - five samples generated from flames, spark discharge soot (i.e. fullerene soot), graphene, reduced graphene oxide (rGO), and fullerene (C60) - we found: 1) measured MAC ranged between 2.4 m2 g-1 and 8.6 m2 g-1 at λ = 550 nm, 2) most AAEs ranged between 0.5 and 1.3; C60 AAE was 7.5 ± 0.9 and 3) MAC spectra were dependent on fuel type and formation conditions. For BrC particles generated from smoldering combustion of 3 hardwood (Oak, Hickory and Mesquite) and 3 softwood species (Western redcedar, Blue spruce and Baldcypress), we found: 1) median MAC values ranged from 1.4 x 10-2 m2 g-1 to 7.9 x 10-2 m2 g-1 at λ = 550 nm, 2) AAE values ranged between 3.5 and 6.2, and 3) Oak, Western redcedar and Blue spruce

  6. 36Cl-AMS measurements with 3-MV tandem accelerator

    International Nuclear Information System (INIS)

    Wang Huijuan; Guan Yongjing; Zhang Wei; Jiang Shan; Ming He

    2013-01-01

    36 C- is one of the most interesting nuclides in accelerator mass spectrometry (AMS) measurements. The application of 36 Cl has been widely applied in various fields. All most all of 36 Cl AMS measurements at natural isotopic concentrations have yet been performed at tandem accelerator with 5 MV or higher terminal voltage. The measure improvement of 36 Cl and other medium heavy isotopes performed at 3 MV in AMS facilities is one of the hottest topics in AMS measurements. In order to increase the suppression factor of 36 S, the energy loss straggling and angular straggling of 36 Cl and 36 S ions in various counter gases (P10, isobutane and propane) were investigated. Some groundwater samples were measured with energy of 32 MeV, and the results were in good agreement with the result obtained with ion energy of 72 MeV. The results indicate that the approximate detection limit of 36 Cl in 3 MV AMS facility is 36 Cl/Cl=1 × 10 -14 , and the uncertainty is 30% when the sample with isotopic ration 36 Cl/Cl≈10 -13 . (authors)

  7. Comparison between simplified load spectra in accordance with Germanische Lloyd guidelines, and load spectra derived from time domain simulations

    Energy Technology Data Exchange (ETDEWEB)

    Rees, M [Aerodyn Energiesysteme gmbH, Rendsburg (Germany)

    1996-09-01

    The Germanische Lloyd guideline allows calculations of load spectra in two fundamentally different ways. In the case of the so-called `simplified load spectra` the maximum amplitude of fluctuation of a load component is formed as {+-}75% of the average value of the purely aerodynamic loads of this component at rated wind conditions, together with an overlay of mass-related loads. The second method allowed in the GL guideline is the calculation of load spectra from simulation results in the time domain. For a number of average wind speeds the time-dependent characteristics of the load components are calculated taking account of the natural spatial turbulence of the wind. These are converted into load spectra using the rainflow method. In a parametric study the load spectra are calculated according to both methods and compared. The calculations are performed for turbines with rated powers of 100 kW to 2000 kW, with two and three blades, and also for stall-controlled and pitch-controlled turbines. The calculated load spectra are compared with each by means of 1 P fatigue equivalent load spectra. The influence of individual parameters is presented, as is the validity of the simplified load spectra. (au)

  8. New regularities in mass spectra of hadrons

    International Nuclear Information System (INIS)

    Kajdalov, A.B.

    1989-01-01

    The properties of bosonic and baryonic Regge trajectories for hadrons composed of light quarks are considered. Experimental data agree with an existence of daughter trajectories consistent with string models. It is pointed out that the parity doubling for baryonic trajectories, observed experimentally, is not understood in the existing quark models. Mass spectrum of bosons and baryons indicates to an approximate supersymmetry in the mass region M>1 GeV. These regularities indicates to a high degree of symmetry for the dynamics in the confinement region. 8 refs.; 5 figs

  9. Photoinduced electric dipole in CuCl quantum dots

    International Nuclear Information System (INIS)

    Masumoto, Yasuaki; Naruse, Fumitaka; Kanno, Atsushi

    2003-01-01

    Electromodulated absorption spectra of CuCl quantum dots modulated at twice the modulation frequency of electric field, 2f, show prominent structure around persistently burned hole. It grows in proportion to square of the electric field in the same manner as the 2f component of electromodulated absorption spectra of the dots without the laser exposure. Even the f component of electromodulated signal was observed around the burned hole position. These observations are explained by considering electric dipole formed in hole burned and photoionized quantum dots. Photoionization not only produces persistent spectral hole burning but also the local built-in electric field and photoinduced dipole moment in quantum dots. The dipole moment is estimated to be about 5 debye for 3.2-nm-radius quantum dots. The dipole moments are randomly oriented but 1% anisotropy is deduced from the electromodulated signal at f

  10. High-pressure X-ray diffraction, Raman, and computational studies of MgCl2 up to 1 Mbar: Extensive pressure stability of the β-MgCl2 layered structure.

    Science.gov (United States)

    Stavrou, Elissaios; Yao, Yansun; Zaug, Joseph M; Bastea, Sorin; Kalkan, Bora; Konôpková, Zuzana; Kunz, Martin

    2016-08-12

    Magnesium chloride (MgCl2) with the rhombohedral layered CdCl2-type structure (α-MgCl2) has been studied experimentally using synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy using a diamond-anvil cell up to 100 GPa at room temperature and theoretically using first-principles density functional calculations. The results reveal a pressure-induced second-order structural phase transition to a hexagonal layered CdI2-type structure (β-MgCl2) at 0.7 GPa: the stacking sequence of the Cl anions are altered resulting in a reduction of the c-axis length. Theoretical calculations confirm this phase transition sequence and the calculated transition pressure is in excellent agreement with the experiment. Lattice dynamics calculations also reproduce the experimental Raman spectra measured for the ambient and high-pressure phase. According to our experimental results MgCl2 remains in a 2D layered phase up to 100 GPa and further, the 6-fold coordination of Mg cations is retained. Theoretical calculations of relative enthalpy suggest that this extensive pressure stability is due to a low enthalpy of the layered structure ruling out kinetic barrier effects. This observation is unusual, as it contradicts with the general structural behavior of highly compressed AB2 compounds.

  11. Preparation and Characterization of cis- and trans-[Ir(tn)2Cl2]CF3SO3 and of [Ir(tn)3]Cl3 (tn=propane-1,3-diamine)

    DEFF Research Database (Denmark)

    Brorson, Michael; Galsbøl, Frode; Simonsen, Kim

    1998-01-01

    for the preparation of [Rh(tn)3]Cl3 in quantitative yield from Rh(thtp)3Cl3 is also given. The complexes were characterized by 1H and 13C NMR and by UV/VIS spectroscopy. The conformation of the six-membered chelate rings of [Ir(tn)3]3+ in the solid state was determined by single-crystal X-ray diffraction of [Ir(tn)3......Procedures are given for the preparation and isolation of cis- and trans-[Ir(tn)2Cl2]CF3SO3 and of [Ir(tn)3]Cl3, (tn=propane-1,3-diamine). The compounds were prepared by the use of Ir(thtp)3Cl3 (thtp=tetrahydrothiophene) as starting material, using either DMSO or neat tn as solvent. A procedure......] [Co(CN)6] x 5H2O. The three chelate rings all adopt the energetically favoured chair conformation; however, the overall idealized symmetry is C1. A comparative ligand field analysis, based on Gaussian resolution of the solution UV/VIS spectra for a number of homoleptic [M(N6)]3+ (M=CoIII, RhIII, Ir...

  12. CONFIRMATION OF ENHANCED DWARF-SENSITIVE ABSORPTION FEATURES IN THE SPECTRA OF MASSIVE ELLIPTICAL GALAXIES: FURTHER EVIDENCE FOR A NON-UNIVERSAL INITIAL MASS FUNCTION

    International Nuclear Information System (INIS)

    Van Dokkum, Pieter G.; Conroy, Charlie

    2011-01-01

    We recently found that massive cluster elliptical galaxies have strong Na I λ8183, 8195 and FeH λ9916 Wing-Ford band absorption, indicating the presence of a very large population of stars with masses ∼ sun . Here we test this result by comparing the elliptical galaxy spectra to those of luminous globular clusters associated with M31. These globular clusters have similar metallicities, abundance ratios, and ages as massive elliptical galaxies but their low dynamical mass-to-light ratios rule out steep stellar initial mass functions (IMFs). From high-quality Keck spectra we find that the dwarf-sensitive absorption lines in globular clusters are significantly weaker than in elliptical galaxies and consistent with normal IMFs. The differences in the Na I and Wing-Ford indices are 0.027 ± 0.007 mag and 0.017 ± 0.006 mag, respectively. We directly compare the two classes of objects by subtracting the averaged globular cluster spectrum from the averaged elliptical galaxy spectrum. The difference spectrum is well fit by the difference between a stellar population synthesis model with a bottom-heavy IMF and one with a bottom-light IMF. We speculate that the slope of the IMF may vary with velocity dispersion, although it is not yet clear what physical mechanism would be responsible for such a relation.

  13. New Accurate Wavenumbers of H35Cl^+ and H37Cl^+ Rovibrational Transitions in the v=0-1 Band of the ^2Π State.

    Science.gov (United States)

    Domenech, Jose Luis; Cueto, Maite; Herrero, Victor Jose; Tanarro, Isabel; Cernicharo, Jose; Drouin, Brian

    2015-06-01

    HCl^+ is a key intermediate in the interstellar chemistry of chlorine. It has been recently identified in space from Herschel's spectra and it has also been detected in the laboratory through its optical emission, infrared and mm-wave spectra. Now that Hershchel is decomissioned, further astrophysical studies on this radical ion will likely rely on ground-based observations in the mid-infrared. We have used a difference frequency laser spectrometer coupled to a hollow cathode discharge to measure the absorption spectrum of H35Cl^+ and H37Cl^+ in the v=0-1 band of the ^2Π state with Dopppler limited resolution. The accuracy of the individual measurements (˜ 10 MHz (3σ)) relies on a solid state wavemeter referenced to an iodine-stabilized Ar^+ laser. The new data are being fit using the CALPGM software from JPL, and the current status will be presented. M. De Luca et al., Astrophys. J. Lett. 751, L37 (2012) W. D. Sheasley and C. W. Mathews, J. Mol. Spectrosc. 47, 420 (1973) P. B. Davies, P. A. Hamilton, B. A. Johnson, Mol. Phys. 57, 217 (1986) H. Gupta, B. J. Drouin, and J. C. Pearson, Astrophys. J. Lett. 751, L37 (2012)

  14. Matrix-assisted ultraviolet laser desorption/ionization time-of-flight mass spectrometry of beta-(1 --> 3), beta-(1 --> 4)-xylans from Nothogenia fastigiata using nor-harmane as matrix.

    Science.gov (United States)

    Fukuyama, Yuko; Kolender, Adriana A; Nishioka, Masae; Nonami, Hiroshi; Matulewicz, María C; Erra-Balsells, Rosa; Cerezo, Alberto S

    2005-01-01

    Three xylan fractions isolated from the red seaweed Nothogenia fastigiata (Nemaliales) were analyzed by ultraviolet matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (UV-MALDI-TOFMS). UV-MALDI-TOFMS was carried out in the linear and reflectron modes, and as routine in the positive and negative ion modes. Of the several matrices tested, nor-harmane was the only effective one giving good spectra in the positive ion mode. The number-average molar masses of two of the fractions, calculated from the distribution profiles, were lower than those determined previously by (1)H NMR analysis, suggesting a decrease in the ionization efficiency with increasing molecular weight; weight-average molar mass and polydispersity index were also determined. As the xylans retained small but significant quantities of calcium salts, the influence of added Ca(2+) as CaCl(2) on UV-MALDI-MS was investigated. The simultaneous addition of sodium chloride and calcium chloride was also analyzed. Addition of sodium chloride did not change the distribution profile of the native sample showing that the inhibitory effect is due to Ca(2+) and not to Cl(-). Addition of calcium chloride with 1:1 analyte/salt molar ratio gave spectra with less efficient desorption/ionization of oligomers; the signals of these oligomers were completely suppressed when the addition of the salt became massive (1:100 analyte/salt molar ratio). Copyright (c) 2005 John Wiley & Sons, Ltd.

  15. Diode laser slit-jet spectra and analysis of the ν14 fundamental of 1-chloro-1,1-difluoroethane (HCFC-142b)

    Science.gov (United States)

    D'Amico, Giuseppe; Snels, Marcel

    2003-01-01

    High resolution infrared spectra (0.001 cm -1 FWHM) have been measured for mixtures of 1-chloro-1,1-difluoroethane in Ne, expanded in a supersonic planar jet. The ν14 fundamental has been analyzed for both isotopic species, CH3CF235Cl and CH3CF237Cl.

  16. Development and characterization of a single particle laser ablation mass spectrometer (SPLAM for organic aerosol studies

    Directory of Open Access Journals (Sweden)

    F. Gaie-Levrel

    2012-01-01

    Full Text Available A single particle instrument was developed for real-time analysis of organic aerosol. This instrument, named Single Particle Laser Ablation Mass Spectrometry (SPLAM, samples particles using an aerodynamic lens system for which the theoretical performances were calculated. At the outlet of this system, particle detection and sizing are realized by using two continuous diode lasers operating at λ = 403 nm. Polystyrene Latex (PSL, sodium chloride (NaCl and dioctylphtalate (DOP particles were used to characterize and calibrate optical detection of SPLAM. The optical detection limit (DL and detection efficiency (DE were determined using size-selected DOP particles. The DE ranges from 0.1 to 90% for 100 and 350 nm DOP particles respectively and the SPLAM instrument is able to detect and size-resolve particles as small as 110–120 nm. During optical detection, particle scattered light from the two diode lasers, is detected by two photomultipliers and the detected signals are used to trigger UV excimer laser (λ = 248 nm used for one-step laser desorption ionization (LDI of individual aerosol particles. The formed ions are analyzed by a 1 m linear time-of-flight mass spectrometer in order to access to the chemical composition of individual particles. The TOF-MS detection limit for gaseous aromatic compounds was determined to be 0.85 × 10−15 kg (∼4 × 103 molecules. DOP particles were also used to test the overall operation of the instrument. The analysis of a secondary organic aerosol, formed in a smog chamber by the ozonolysis of indene, is presented as a first application of the instrument. Single particle mass spectra were obtained with an effective hit rate of 8%. Some of these mass spectra were found to be very different from one particle to another possibly reflecting chemical differences within the investigated indene SOA particles. Our study shows that an exhaustive statistical analysis, over hundreds of particles

  17. Atmospheric chemistry of CH3O(CF2CF2O)(n)CH3 (n=1-3): Kinetics and mechanism of oxidation initiated by Cl atoms and OH radicals, IR spectra, and global warmin potentials

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Hurley, MD; Wallington, TJ

    2004-01-01

    Smog chambers equipped with FTIR spectrometers were used to study the Cl atom and OH radical initiated oxidation of CH3O(CF2CF2O)(n)CH3 (n = 1-3) in 720 +/- 20 Torr of air at 296 +/- 3 K. Relative rate techniques were used to measure k(Cl + CH3O(CF2CF2O)(n)CH3) (3.7 +/- 10.7) x 10(-13) and k......(OH + CH3O(CF2CF2O)(n)CH3) = (2.9 +/- 0.5) x 10(-11) cm(3) molecule(-1) s(-1) leading to an estimated atmospheric lifetime of 2 years for CH3O(CF2CF2O),CH3. The Cl initiated oxidation of CH3O(CF2CF2O),CH3 in air diluent gives CH3O(CF2CF2O)(n)C(O)H in a yield which is indistinguishable from 100 Further...... oxidation leads to the diformate, H(O)CO(CF2CF2O)(n)C(O)H. A rate constant of k(Cl + CH3O(CF2CF2O)(n)CHO) = (1.81 +/- 0.36) x 10(-13) cm(3) molecule(-1) s-1 was determined. Quantitative infrared spectra for CH3O(CF2CF2O)(n)CH3 (n = 1-3) were recorded and used to estimate halocarbon global warming potentials...

  18. Inland Concentrations of Cl2 and ClNO2 in Southeast Texas Suggest Chlorine Chemistry Significantly Contributes to Atmospheric Reactivity

    Directory of Open Access Journals (Sweden)

    Cameron B. Faxon

    2015-10-01

    Full Text Available Measurements of molecular chlorine (Cl2, nitryl chloride (ClNO2, and dinitrogen pentoxide (N2O5 were taken as part of the DISCOVER-AQ Texas 2013 campaign with a High Resolution Time-of-Flight Chemical Ionization Mass Spectrometer (HR-ToF-CIMS using iodide (I- as a reagent ion. ClNO2 concentrations exceeding 50 ppt were regularly detected with peak concentrations typically occurring between 7:00 a.m. and 10:00 am. Hourly averaged Cl2 concentrations peaked daily between 3:00 p.m. and 4:00 p.m., with a 29-day average of 0.9 ± 0.3 (1σ ppt. A day-time Cl2 source of up to 35 ppt∙h−1 is required to explain these observations, corresponding to a maximum chlorine radical (Cl• production rate of 70 ppt∙h−1. Modeling of the Cl2 source suggests that it can enhance daily maximum O3 and RO2• concentrations by 8%–10% and 28%–50%, respectively. Modeling of observed ClNO2 assuming a well-mixed nocturnal boundary layer indicates O3 and RO2• enhancements of up to 2.1% and 38%, respectively, with a maximum impact in the early morning. These enhancements affect the formation of secondary organic aerosol and compliance with air quality standards for ozone and particulate matter.

  19. The structure of BPS spectra

    Science.gov (United States)

    Longhi, Pietro

    In this thesis we develop and apply novel techniques for analyzing BPS spectra of supersymmetric quantum field theories of class S. By a combination of wall-crossing, spectral networks and quiver methods we explore the BPS spectra of higher rank four-dimensional N = 2 super Yang-Mills, uncovering surprising new phenomena. Focusing on the SU(3) case, we prove the existence of wild BPS spectra in field theory, featuring BPS states of higher spin whose degeneracies grow exponentially with the energy. The occurrence of wild BPS states is surprising because it appears to be in tension with physical expectations on the behavior of the entropy as a function of the energy scale. The solution to this puzzle comes from realizing that the size of wild BPS states grows rapidly with their mass, and carefully analyzing the volume-dependence of the entropy of BPS states. We also find some interesting structures underlying wild BPS spectra, such as a Regge-like relation between the maximal spin of a BPS multiplet and the square of its mass, and the existence of a universal asymptotic distribution of spin-j irreps within a multiplet of given charge. We also extend the spectral networks construction by introducing a refinement in the topological classification of 2d-4d BPS states, and identifying their spin with a topological invariant known as the "writhe of soliton paths". A careful analysis of the 2d-4d wall-crossing behavior of this refined data reveals that it is described by motivic Kontsevich-Soibelman transformations, controlled by the Protected Spin Character, a protected deformation of the BPS index encoding the spin of BPS states. Our construction opens the way for the systematic study of refined BPS spectra in class S theories. We apply it to several examples, including ones featuring wild BPS spectra, where we find an interesting relation between spectral networks and certain functional equations. For class S theories of A 1 type, we derive an alternative technique for

  20. Photoexcitation, photoionization and photofragmentation studies on Pyrosulfuryl chloride, (ClSO{sub 2}){sub 2}O, between 12 and 300 eV

    Energy Technology Data Exchange (ETDEWEB)

    Betancourt, Angelica Moreno; Romano, Rosana M.; Erben, Mauricio F.; Gerones, Mariana; Berrueta Martinez, Y.; Rodriguez Pirani, Lucas; Della Vedova, Carlos O. [Universidad Nacional de La Plata, La PLata B.A. (Argentina); Cavasso Filho, R.L. [Universidade Federal do ABC (UFABC), Santo Andre, SP (Brazil)

    2012-07-01

    Full text: Recent investigations in our research group have been dedicated to the elucidation of photochemical reaction mechanisms between small molecules, relevant as atmospheric contaminants or components. For example the photochemical gas-phase reaction between SO{sub 2}, O{sub 2} and Cl{sub 2} was studied and the reaction mechanisms were proposed on the basis of the isolation and identification of the products [1]. Molecules of the type ClSO{sub 2} (OSO{sub 2}){sub n}Cl, with n=1,2 and the novel peroxide ClSO{sub 2}OOSO{sub 2}Cl were determined, among others, as the main photoproducts. It was proposed that this reaction could play an important role in atmospheric chemistry, particularly in regions of high Cl{sub 2} and SO{sub 2} abundances. It was also suggested that it could account for chemical processes to explain the unexpectedly low oxygen content of the Venus stratosphere [2]. Pyrosulfuryl chloride, was prepared by the reaction of SO{sub 3} and CCl{sub 4},1 and subsequently purified by fractional distillation first, and then by trap-to-trap distillations in vacuum conditions. The identity and purity of the sample were checked by IR and Raman spectroscopy. The photoexcitation and photofragmentation in the energy region between 12 and 300 eV was studied. The Total Ion Yield (TIY) spectra show the S 2p, Cl 2p and S 2s edges, at 182.4, 212.4 and 236.6 eV, respectively. The most abundant ion detected in the PEPICO spectra, after the photoexcitation of the sample in the 12-21 eV energy region, was the ClSO{sub 2}{sup +} fragment (43.4% at 13 eV and 44.0% at 21 eV). At higher ionization energies, the atomization processes dominate the PEPICO spectra, being the abundances of O{sup +}, S{sup +} and Cl{sup +} 46.5, 15.9 and 22.2. [1] R. M. Romano, C.O. Della Vedova, H. Beckers, H. Willner. Inorganic Chemistry. 2009. 48 (5), 1906. [2] W. B. Demore, M.-T. Leu, R. H. Smith, Y. L. Yung., 1985, 63, 347-353. (author)

  1. Evaluation report on CCTF Core-I reflood tests Cl-2 (Run 11) and Cl-3 (Run 12)

    International Nuclear Information System (INIS)

    Akimoto, Hajime; Murao, Yoshio

    1983-06-01

    In order to clarify the effect of the initial superheat of the downcomer wall on the system and the core cooling behaviors during the reflood phase of a PWR-LOCA, two tests were performed with the Cylindrical Core Test Facility (CCTF). One is the superheated wall test (test Cl-2) with the initial superheat of 79K, as in the actual PWR, and the other is the saturated wall test (test Cl-3) without any initial superheat. Through the comparisons of the test results from these two tests, the following conclusions were obtained. (1) The initial superheat of the downcomer wall resulted in the lower downcomer water head as observed in our separate-effect tests for the downcomer water head. (2) The superheat also caused the core inlet subcooling to be decreased, and led to the lower core water head. (3) The mass flow rate through the intact loop was reduced only by 4% by the initial superheat of the downcomer wall because the core water head was reduced as well as the downcomer water head. Whereas the mass flow rate through the broken loop was increased because of the increased pressure drop through the broken cold leg. (4) The difference of the core inlet mass flow rate was small between the superheated and the saturated wall tests. It can be considered that small difference of the core inlet mass flow rate results from the compensation of the decreased mass flow rate through the intact loops by the increased mass flow rate through the broken loop. (5) The main discrepancies of the core cooling and the carry-over behaviors between two CCTF tests, were consistent with those observed in the parametric tests for the core inlet subcooling of the FLECHT LOW FLOODING TEST series. (author)

  2. A database application for pre-processing, storage and comparison of mass spectra derived from patients and controls

    Directory of Open Access Journals (Sweden)

    Sillevis Smitt Peter A

    2006-09-01

    Full Text Available Abstract Background Statistical comparison of peptide profiles in biomarker discovery requires fast, user-friendly software for high throughput data analysis. Important features are flexibility in changing input variables and statistical analysis of peptides that are differentially expressed between patient and control groups. In addition, integration the mass spectrometry data with the results of other experiments, such as microarray analysis, and information from other databases requires a central storage of the profile matrix, where protein id's can be added to peptide masses of interest. Results A new database application is presented, to detect and identify significantly differentially expressed peptides in peptide profiles obtained from body fluids of patient and control groups. The presented modular software is capable of central storage of mass spectra and results in fast analysis. The software architecture consists of 4 pillars, 1 a Graphical User Interface written in Java, 2 a MySQL database, which contains all metadata, such as experiment numbers and sample codes, 3 a FTP (File Transport Protocol server to store all raw mass spectrometry files and processed data, and 4 the software package R, which is used for modular statistical calculations, such as the Wilcoxon-Mann-Whitney rank sum test. Statistic analysis by the Wilcoxon-Mann-Whitney test in R demonstrates that peptide-profiles of two patient groups 1 breast cancer patients with leptomeningeal metastases and 2 prostate cancer patients in end stage disease can be distinguished from those of control groups. Conclusion The database application is capable to distinguish patient Matrix Assisted Laser Desorption Ionization (MALDI-TOF peptide profiles from control groups using large size datasets. The modular architecture of the application makes it possible to adapt the application to handle also large sized data from MS/MS- and Fourier Transform Ion Cyclotron Resonance (FT-ICR mass

  3. A database application for pre-processing, storage and comparison of mass spectra derived from patients and controls.

    Science.gov (United States)

    Titulaer, Mark K; Siccama, Ivar; Dekker, Lennard J; van Rijswijk, Angelique L C T; Heeren, Ron M A; Sillevis Smitt, Peter A; Luider, Theo M

    2006-09-05

    Statistical comparison of peptide profiles in biomarker discovery requires fast, user-friendly software for high throughput data analysis. Important features are flexibility in changing input variables and statistical analysis of peptides that are differentially expressed between patient and control groups. In addition, integration the mass spectrometry data with the results of other experiments, such as microarray analysis, and information from other databases requires a central storage of the profile matrix, where protein id's can be added to peptide masses of interest. A new database application is presented, to detect and identify significantly differentially expressed peptides in peptide profiles obtained from body fluids of patient and control groups. The presented modular software is capable of central storage of mass spectra and results in fast analysis. The software architecture consists of 4 pillars, 1) a Graphical User Interface written in Java, 2) a MySQL database, which contains all metadata, such as experiment numbers and sample codes, 3) a FTP (File Transport Protocol) server to store all raw mass spectrometry files and processed data, and 4) the software package R, which is used for modular statistical calculations, such as the Wilcoxon-Mann-Whitney rank sum test. Statistic analysis by the Wilcoxon-Mann-Whitney test in R demonstrates that peptide-profiles of two patient groups 1) breast cancer patients with leptomeningeal metastases and 2) prostate cancer patients in end stage disease can be distinguished from those of control groups. The database application is capable to distinguish patient Matrix Assisted Laser Desorption Ionization (MALDI-TOF) peptide profiles from control groups using large size datasets. The modular architecture of the application makes it possible to adapt the application to handle also large sized data from MS/MS- and Fourier Transform Ion Cyclotron Resonance (FT-ICR) mass spectrometry experiments. It is expected that the

  4. Growth and luminescent properties of the Ce, Pr doped NaCl single crystals grown by the modified micro-pulling-down method

    International Nuclear Information System (INIS)

    Yokota, Yuui; Yanagida, Takayuki; Fujimoto, Yutaka; Nikl, Martin; Yoshikawa, Akira

    2010-01-01

    We have investigated luminescent properties of nondope, Ce and Pr doped NaCl [nondope NaCl, Ce:NaCl, Pr:NaCl] single crystals grown by a modified micro-pulling-down method with a removable chamber system. Nondope, Ce 1% and Pr 1% doped NaCl crystals with a single phase of NaCl structure were obtained and the crystals indicated general crystal quality by the X-ray rocking curve measurement. For the nondope NaCl and Pr:NaCl crystals, the transmittance spectra indicated almost more than 60% in the wavelength from 200 to 800 nm and an absorption of Ce 3+ ion was observed in the transmittance spectrum of Ce:NaCl crystal. The emission spectrum originated from Ce 3+ 5d-4f transition appeared around 300 nm in the photoluminescence spectrum and the decay time was 19.7 ns.

  5. Quantum synchrotron spectra from semirelativistic electrons in teragauss magnetic fields

    International Nuclear Information System (INIS)

    Brainerd, J.J.

    1987-01-01

    Synchrotron spectra are calculated from quantum electrodynamic transition rates for thermal and power-law electron distributions. It is shown that quantum effects appear in thermal spectra when the photon energy is greater than the electron temperature, and in power-law spectra when the electron energy in units of the electron rest mass times the magnetic field strength in units of the critical field strength is of order unity. These spectra are compared with spectra calculated from the ultrarelativistic approximation for synchrotron emission. It is found that the approximation for the power-law spectra is good, and the approximation for thermal spectra produces the shape of the spectrum accurately but fails to give the correct normalization. Single photon pair creation masks the quantum effects for power-law distributions, so only modifications to thermal spectra are important for gamma-ray bursts. 13 references

  6. Diode laser slit-jet spectra and analysis of the fundamental of 1-chloro-1,1-difluoroethane (HCFC-142b)

    Science.gov (United States)

    Snels, M.; D'Amico, G.

    2002-11-01

    High resolution infrared spectra (0.001 cm^{-1}) have been measured for mixtures of 1-chloro-1,1-difluoroethane in Ne, expanded in a supersonic planar jet. The ν_7 fundamental has been analyzed for both isotopic species, CH3CF2 ^{35}Cl and CH3CF2 ^{37}Cl. A weak b-type component has been observed for the first time.

  7. Null-plane Bethe-Salpeter dynamics: Mass spectra, decay constants of pseudoscalar mesons, and the pion form factor

    International Nuclear Information System (INIS)

    Gupta, K.K.; Mitra, A.N.; Singh, N.N.

    1990-01-01

    A new relativistic definition of the reduced mass (μ 12 ) of a q bar q pair, so as to be in conformity with the standard Wightman-Garding definition of its relative four-momenta q μ , is introduced into the kernel of an ongoing Bethe-Salpeter (BS) program on a two-tier basis. The new definition of μ 12 (involving the hadron mass M) is found to produce a natural Regge asymptotic behavior (M 2 ∼N) in the hadron mass spectra, while retaining the property of an asymptotically linear (∼r) confinement in the three-dimensional structure of the BS kernel. The relativistic structure of μ 12 is responsible for a significant improvement in the fits to the ground-state masses of q bar q and Q bar q mesons as compared to its nonrelativistic definition m 1 m 2 /(m 1 +m 2 ). The leptonic decay constants f p and the charge radii thus calculated are also in excellent agreement with data (π,k) where available, while f p predictions for Q bar q mesons have good overlap with recent lattice predictions. Further, the scaling property (∼k μ -2 ) of the hadron's electromagnetic form factor at large k 2 is a consequence of the ''on-shell'' form of its null-plane wave function. All these results (which are indicated in the barest outline) are preceded by a perspective summary of the theoretical premises and practical working of the BS equation with a four-fermion interaction kernel as a necessary background on a two-tier basis

  8. What can we learn from inclusive spectra

    International Nuclear Information System (INIS)

    Nagamiya, S.

    1981-05-01

    The present experimental status on single particle inclusive measurements is described. Then, the geometrical aspect of the collision is discussed from the data of total integrated cross sections of nuclear charge or mass. The dynamical aspect of the collision, especially that for the participating region is discussed in connection with proton spectra, composite fragment spectra, pion production, ratios of π - /π + , n/p and t/ 3 He, and production of strange particles. The spectator physics is described from the data on projectile fragments

  9. Activation measurements for thermal neutrons. Part E. 36Cl measurements in Germany

    International Nuclear Information System (INIS)

    Ruehm, Werner; Huber, Thomas; Nolte, Eckehart; Kato, Kazuo; Egbert, Stephen D.

    2005-01-01

    The long-lived radioisotope 36 Cl (half-life: 301,000 years) was measured in bomb-exposed granite and concrete samples from Hiroshima, and in granite samples not exposed to A-bomb neutrons, by means of accelerator mass spectrometry (AMS). For those samples exposed to A-bomb neutrons, measured 36 Cl/Cl ratios as a function of distance to the epicenter were compared with calculated ratios based on the new dosimetry system DS02. (J.P.N.)

  10. High 36Cl/Cl ratios in Chernobyl groundwater

    International Nuclear Information System (INIS)

    Roux, Céline; Le Gal La Salle, Corinne; Simonucci, Caroline; Van Meir, Nathalie; Fifield, L. Keith; Diez, Olivier; Bassot, Sylvain

    2014-01-01

    After the explosion of the Chernobyl Nuclear Power Plant in April 1986, contaminated material was buried in shallow trenches within the exclusion zone. A 90 Sr plume was evidenced downgradient of one of these trenches, trench T22. Due to its conservative properties, 36 Cl is investigated here as a potential tracer to determine the maximal extent of the contamination plume from the trench in groundwater. 36 Cl/Cl ratios measured in groundwater, trench soil water and leaf leachates are 1–5 orders of magnitude higher than the theoretical natural 36 Cl/Cl ratio. This contamination occurred after the Chernobyl explosion and currently persists. Trench T22 acts as an obvious modern point source of 36 Cl, however other sources have to be involved to explain such contamination. 36 Cl contamination of groundwater can be explained by dilution of trench soil water by uncontaminated water (rainwater or deep groundwater). With a plume extending further than that of 90 Sr, radionuclide which is impacted by retention and decay processes, 36 Cl can be considered as a suitable tracer of contamination from the trench in groundwater provided that modern release processes of 36 Cl from trench soil are better characterized. - Highlights: • High 36 Cl/Cl ratios measured in the Chernobyl Pilot Site groundwater. • Trench T22 acts as a modern source of groundwater contamination by 36 Cl but other sources are involved. • Contamination results from dilution of a contaminated “T22” soil water with rainwater. • Processes involved in the modern release need to be investigated

  11. Interpretation of the [ClIII] Lines in Gaseous Nebulae.

    Science.gov (United States)

    Aller, L H; Czyzak, S J; Walker, M F; Krueger, T K

    1970-05-01

    The intensity ratio of the green lambdalambda5517 and 5537 lines of [ClIII] serves as an indicatrix of the electron density in many gaseous nebulae whose spectra can be observed with an image converter. Quantitative interpretation of the line ratio requires accurate values of the collisional strengths and transition probabilities. With improved values of these parameters we have revised electron densities for a number of nebulae; the results seem to be in good accord with those derived from other criteria.

  12. Nuclear hyperfine structure of muonium in CuCl resolved by means of avoided level crossing

    International Nuclear Information System (INIS)

    Schneider, J.W.; Celio, M.; Keller, H.; Kuendig, W.; Odermatt, W.; Puempin, B.; Savic, I.M.; Simmler, H.; Estle, T.L.; Schwab, C.; Kiefl, R.F.; Renker, D.

    1990-01-01

    We report detailed avoided-level-crossing spectra of a muonium center (Mu II ) in single-crystal CuCl in a magnetic field range of 4--5 T and at a temperature of 100 K. The hyperfine parameters of the muon and the closest two shells of nuclei indicate that this center consists of muonium at a tetrahedral interstice with four Cu nearest neighbors and six Cl next-nearest neighbors and that the spin density is appreciable on the muon and on the ten neighboring nuclei but negligible elsewhere

  13. A hydrochemical investigation using 36Cl/Cl in groundwaters

    International Nuclear Information System (INIS)

    Metcalfe, Richard

    2003-03-01

    This report describes 36 Cl studies which were undertaken during the H14 financial year. The results of this study suggest that, if 36 Cl data can be obtained for groundwaters at spatial scales comparable with, or smaller than, the spatial scales of the variability in in-situ 36 Cl production in the host rock, the data could potentially be useful for interpreting groundwater origins and flow paths. Four groundwater samples and one onsen water sample from the Tono area were collected for 36 Cl analysis. The groundwater samples came from boreholes MSB-2 and MSB-4 in the MIU Construction Site, whereas the onsen water was taken from Oniiwa Onsen (Komatsuya). In addition, a single sample from borehole HDB-1 at Horonobe was also sent for analysis. Supporting rock chemical data and wireline geophysical data have also been evaluated, to provide a basis for interpreting the 36 Cl data. Rock analyses and spectral gamma wireline data were used to estimate theoretical limiting equilibrium 36 Cl/Cl ratios in the rock. These have been compared with the compositions measured for groundwater samples, enabling a judgement to be made as to: whether the waters have resided for long enough in the rock to approach equilibrium (> c. 1.5 Ma); the spatial scales of mixing of the dissolved Cl in the groundwater. The estimates of in-situ 36 Cl/Cl production made with the newly available rock chemical data and wireline geophysical data have enabled 36 Cl data obtained previously from MIU-4, KNA-6 and DH-12 during H12 and H13 to be interpreted more confidently. In particular it seems that 36 Cl/Cl ratios measured previously in groundwater samples from MIU-4 are not in equilibrium with in-situ production in the granite. Furthermore, they imply that the Cl is homogenised, at least on the scale of the upper half of borehole. In contrast, the data from DH-12 imply that the Cl could be in equilibrium with in-situ 36 Cl production in the granite, which would be consistent with a relatively long

  14. Uptake of hexanitrohexaazaisowurtzitane (CL-20) by the earthworm Eisenia fetida through dermal contact

    International Nuclear Information System (INIS)

    Gong Ping; Escalon, B. Lynn; Hayes, Charolett A.; Perkins, Edward J.

    2008-01-01

    The explosive compound hexanitrohexaazaisowurtzitane (CL-20) has been shown to cause both lethal and sublethal (reproductive and neurotoxic) effects in exposed oligochaetes. However, whether worms take up CL-20 and how much CL-20 enters worm bodies leading to toxicity (e.g., lethality) remain to be determined. In the present study, we used high performance liquid chromatography (HPLC) and radiolabeled tracer methods to investigate the CL-20 uptake in the whole worm body after contact exposures. Worms (Eisenia fetida) were exposed to filter paper spiked with non-radioactive or [U- 14 C]-labeled CL-20 for 1-3 d. The radiolabeled tracer method allowed us to detect the parent compound and transformation products in worms exposed to as low as 0.04 μg CL-20 cm -2 of filter paper. The HPLC method without radiolabeled tracer was far less sensitive with a detection limit of 2.17 μg CL-20 cm -2 . Using the radiolabeled tracer, we were able to demonstrate that the worm body concentration linearly correlated to the filter paper concentration ≤ 0.34 μg cm -2 (r = 0.94) if no breakdown products are assumed. At higher concentrations, the body concentration increased slowly and saturated at around 11 μg g -1 dry mass resulting in an estimated lethal critical body burden of 10-15 μg CL-20 g -1 dry mass. These findings demonstrate that CL-20 or potential transformation products are taken into the earthworm body through dermal contact. This information should prove valuable in assessing the bioaccumulation potential and ecological risks of CL-20

  15. Uptake of hexanitrohexaazaisowurtzitane (CL-20) by the earthworm Eisenia fetida through dermal contact

    Energy Technology Data Exchange (ETDEWEB)

    Gong Ping [SpecPro, 3909 Halls Ferry Road, Vicksburg, MS 39180 (United States)], E-mail: ping.gong@erdc.usace.army.mil; Escalon, B. Lynn; Hayes, Charolett A. [SpecPro, 3909 Halls Ferry Road, Vicksburg, MS 39180 (United States); Perkins, Edward J. [Environmental Laboratory, US Army Engineer Research and Development Center, 3909 Halls Ferry Road, Vicksburg, MS 39180 (United States)

    2008-02-01

    The explosive compound hexanitrohexaazaisowurtzitane (CL-20) has been shown to cause both lethal and sublethal (reproductive and neurotoxic) effects in exposed oligochaetes. However, whether worms take up CL-20 and how much CL-20 enters worm bodies leading to toxicity (e.g., lethality) remain to be determined. In the present study, we used high performance liquid chromatography (HPLC) and radiolabeled tracer methods to investigate the CL-20 uptake in the whole worm body after contact exposures. Worms (Eisenia fetida) were exposed to filter paper spiked with non-radioactive or [U-{sup 14}C]-labeled CL-20 for 1-3 d. The radiolabeled tracer method allowed us to detect the parent compound and transformation products in worms exposed to as low as 0.04 {mu}g CL-20 cm{sup -2} of filter paper. The HPLC method without radiolabeled tracer was far less sensitive with a detection limit of 2.17 {mu}g CL-20 cm{sup -2}. Using the radiolabeled tracer, we were able to demonstrate that the worm body concentration linearly correlated to the filter paper concentration {<=} 0.34 {mu}g cm{sup -2} (r = 0.94) if no breakdown products are assumed. At higher concentrations, the body concentration increased slowly and saturated at around 11 {mu}g g{sup -1} dry mass resulting in an estimated lethal critical body burden of 10-15 {mu}g CL-20 g{sup -1} dry mass. These findings demonstrate that CL-20 or potential transformation products are taken into the earthworm body through dermal contact. This information should prove valuable in assessing the bioaccumulation potential and ecological risks of CL-20.

  16. Suspected-target pesticide screening using gas chromatography-quadrupole time-of-flight mass spectrometry with high resolution deconvolution and retention index/mass spectrum library.

    Science.gov (United States)

    Zhang, Fang; Wang, Haoyang; Zhang, Li; Zhang, Jing; Fan, Ruojing; Yu, Chongtian; Wang, Wenwen; Guo, Yinlong

    2014-10-01

    A strategy for suspected-target screening of pesticide residues in complicated matrices was exploited using gas chromatography in combination with hybrid quadrupole time-of-flight mass spectrometry (GC-QTOF MS). The screening workflow followed three key steps of, initial detection, preliminary identification, and final confirmation. The initial detection of components in a matrix was done by a high resolution mass spectrum deconvolution; the preliminary identification of suspected pesticides was based on a special retention index/mass spectrum (RI/MS) library that contained both the first-stage mass spectra (MS(1) spectra) and retention indices; and the final confirmation was accomplished by accurate mass measurements of representative ions with their response ratios from the MS(1) spectra or representative product ions from the second-stage mass spectra (MS(2) spectra). To evaluate the applicability of the workflow in real samples, three matrices of apple, spinach, and scallion, each spiked with 165 test pesticides in a set of concentrations, were selected as the models. The results showed that the use of high-resolution TOF enabled effective extractions of spectra from noisy chromatograms, which was based on a narrow mass window (5 mDa) and suspected-target compounds identified by the similarity match of deconvoluted full mass spectra and filtering of linear RIs. On average, over 74% of pesticides at 50 ng/mL could be identified using deconvolution and the RI/MS library. Over 80% of pesticides at 5 ng/mL or lower concentrations could be confirmed in each matrix using at least two representative ions with their response ratios from the MS(1) spectra. In addition, the application of product ion spectra was capable of confirming suspected pesticides with specificity for some pesticides in complicated matrices. In conclusion, GC-QTOF MS combined with the RI/MS library seems to be one of the most efficient tools for the analysis of suspected-target pesticide residues

  17. Aspect ratio control of Au nanorods via covariation of the total amount of HAuCl{sub 4} and ascorbic acid

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Xiao [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, 122 Luoshi Road, Hongshan District, Wuhan 430070, Hubei (China); Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China); Feng, Jinyang [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, 122 Luoshi Road, Hongshan District, Wuhan 430070, Hubei (China); Zhao, Xiujian, E-mail: opluse@whut.edu.cn [State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, 122 Luoshi Road, Hongshan District, Wuhan 430070, Hubei (China)

    2015-07-15

    Highlights: • The AR value decreased as the total amount of [HAuCl{sub 4}] and [AA] increasing. • The UV–vis absorption spectra showed the peak wavelength of TSPR at around 530 nm. • The wavelength of LSPR had a red-shifted effect. - Abstract: Controlling the aspect ratio (AR) of gold nanorods (GNRs) via covariation of the total concentrations of HAuCl{sub 4} ([HAuCl{sub 4}]) and ascorbic acid ([AA]) has been studied. Characteristics of GNRs were examined by transmission electron microscopy (TEM) and ultraviolet–visible (UV–vis) absorption spectrophotometry. TEM results showed that single crystalline GNRs grew along an elongated growth direction of [100]. TEM results also revealed that the quantity of plate shaped and nearly spherical nanoparticles increased as the total amount of [HAuCl{sub 4}] and [AA] decreased. The AR value measured from TEM images decreased from 4.74 to 2.41 as the total amount of [HAuCl{sub 4}] and [AA] was increased from 0.305 to 2.44 mM. The UV–vis absorption spectra of all samples showed that the wavelength of transverse surface plasmon resonance (TSPR) peak appeared at around 530 nm for all samples. The wavelength of longitudinal surface plasmon resonance (LSPR) peak increased from 640 to 894 nm as the total amount of [HAuCl{sub 4}] and [AA] decreased from 2.44 to 0.305 mM. The wavelength of LSPR peak shows a red-shifted effect except when the total amount of [HAuCl{sub 4}] and [AA] was 0.122 mM.

  18. Growth and luminescent properties of the Ce, Pr doped NaCl single crystals grown by the modified micro-pulling-down method

    Energy Technology Data Exchange (ETDEWEB)

    Yokota, Yuui, E-mail: y-yokota@tagen.tohoku.ac.j [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University/2-1-1, Katahira, Aoba-ku, Sendai (Japan); Yanagida, Takayuki; Fujimoto, Yutaka [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University/2-1-1, Katahira, Aoba-ku, Sendai (Japan); Nikl, Martin [Institute of Physics, Academy of Sciences of the Czech Republic/6253, Prague (Czech Republic); Yoshikawa, Akira [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University/2-1-1, Katahira, Aoba-ku, Sendai (Japan); New Industry Creation Hatchery Center (NICHe), Tohoku University/2-1-1, Katahira, Aoba-ku, Sendai (Japan)

    2010-03-15

    We have investigated luminescent properties of nondope, Ce and Pr doped NaCl [nondope NaCl, Ce:NaCl, Pr:NaCl] single crystals grown by a modified micro-pulling-down method with a removable chamber system. Nondope, Ce 1% and Pr 1% doped NaCl crystals with a single phase of NaCl structure were obtained and the crystals indicated general crystal quality by the X-ray rocking curve measurement. For the nondope NaCl and Pr:NaCl crystals, the transmittance spectra indicated almost more than 60% in the wavelength from 200 to 800 nm and an absorption of Ce{sup 3+} ion was observed in the transmittance spectrum of Ce:NaCl crystal. The emission spectrum originated from Ce{sup 3+} 5d-4f transition appeared around 300 nm in the photoluminescence spectrum and the decay time was 19.7 ns.

  19. Speciation analysis of 129I in seawater by carrier-free AgI-AgCl coprecipitation and accelerator mass spectrometric measurement

    DEFF Research Database (Denmark)

    Luo, Maoyi; Hou, Xiaolin; He, Chaohui

    2013-01-01

    A rapid and simple method was developed for speciation analysis of 129I in seawater by selective coprecipitation of carrier-free iodide and accelerator mass spectrometry (AMS) measurement of 129I. Iodide was separated from seawater and other species of iodine by coprecipitation of AgI with Ag2SO3......, AgCl, and AgBr by addition of only 100 mg/L Ag+ and 0.3 mmol/L NaHSO3 at pH 4.2-5.5. The separation efficiency of iodide was more than 95%, and crossover between 129IO3- and 129I- fractions is less than 3%. Iodate and total inorganic iodine were converted to iodide by use of NaHSO3 at pH 1......-2 and then separated by the same method as for iodide. Ag2SO3 in the coprecipitate was removed by washing with 3 mol/L HNO3 and the excess AgCl and AgBr was removed by use of diluted NH3, and finally a 1-3 mg precipitate was obtained for AMS measurement of 129I. The recovery of iodine species in the entire procedure...

  20. Statistical analysis of fragmentation patterns of electron ionization mass spectra of enolized-trimethylsilylated anabolic androgenic steroids

    Science.gov (United States)

    Fragkaki, A. G.; Angelis, Y. S.; Tsantili-Kakoulidou, A.; Koupparis, M.; Georgakopoulos, C.

    2009-08-01

    Anabolic androgenic steroids (AAS) are included in the List of prohibited substances of the World Anti-Doping Agency (WADA) as substances abused to enhance athletic performance. Gas chromatography coupled to mass spectrometry (GC-MS) plays an important role in doping control analyses identifying AAS as their enolized-trimethylsilyl (TMS)-derivatives using the electron ionization (EI) mode. This paper explores the suitability of complementary GC-MS mass spectra and statistical analysis (principal component analysis, PCA and partial least squares-discriminant analysis, PLS-DA) to differentiate AAS as a function of their structural and conformational features expressed by their fragment ions. The results obtained showed that the application of PCA yielded a classification among the AAS molecules which became more apparent after applying PLS-DA to the dataset. The application of PLS-DA yielded a clear separation among the AAS molecules which were, thus, classified as: 1-ene-3-keto, 3-hydroxyl with saturated A-ring, 1-ene-3-hydroxyl, 4-ene-3-keto, 1,4-diene-3-keto and 3-keto with saturated A-ring anabolic steroids. The study of this paper also presents structurally diagnostic fragment ions and dissociation routes providing evidence for the presence of unknown AAS or chemically modified molecules known as designer steroids.

  1. Heavy components coupling effect on building response spectra generation

    International Nuclear Information System (INIS)

    Liu, T.H.; Johnson, E.R.

    1985-01-01

    This study investigates the dynamic coupling effect on the floor response spectra between the heavy components and the Reactor Interior (R/I) building in a PWR. The following cases were studied: (I) simplified models of one and two lump mass models representing building and heavy components, and (II) actual plant building and heavy component models. Response spectra are developed at building nodes for all models, using time-history analysis methods. Comparisons of response spectra from various models are made to observe the coupling effects. In some cases, this study found that the coupling would reduce the response spectra values in certain frequency regions even if the coupling is not required according to the above criteria. (orig./HP)

  2. High (36)Cl/Cl ratios in Chernobyl groundwater.

    Science.gov (United States)

    Roux, Céline; Le Gal La Salle, Corinne; Simonucci, Caroline; Van Meir, Nathalie; Fifield, L Keith; Diez, Olivier; Bassot, Sylvain; Simler, Roland; Bugai, Dmitri; Kashparov, Valery; Lancelot, Joël

    2014-12-01

    After the explosion of the Chernobyl Nuclear Power Plant in April 1986, contaminated material was buried in shallow trenches within the exclusion zone. A (90)Sr plume was evidenced downgradient of one of these trenches, trench T22. Due to its conservative properties, (36)Cl is investigated here as a potential tracer to determine the maximal extent of the contamination plume from the trench in groundwater. (36)Cl/Cl ratios measured in groundwater, trench soil water and leaf leachates are 1-5 orders of magnitude higher than the theoretical natural (36)Cl/Cl ratio. This contamination occurred after the Chernobyl explosion and currently persists. Trench T22 acts as an obvious modern point source of (36)Cl, however other sources have to be involved to explain such contamination. (36)Cl contamination of groundwater can be explained by dilution of trench soil water by uncontaminated water (rainwater or deep groundwater). With a plume extending further than that of (90)Sr, radionuclide which is impacted by retention and decay processes, (36)Cl can be considered as a suitable tracer of contamination from the trench in groundwater provided that modern release processes of (36)Cl from trench soil are better characterized. Copyright © 2014 Elsevier Ltd. All rights reserved.

  3. Reactions UF{sub 4} - ClF, UF{sub 4} - ClF{sub 3}, UF{sub 5} - ClF, UF{sub 5} - ClF{sub 3}; Reactions UF{sub 4} - ClF, UF{sub 4} - ClF{sub 3}, UF{sub 5} - ClF, UF{sub 5} - ClF{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Luce, M; Benoit, R; Hartmanshenn, O [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-07-01

    The reaction between ClF{sub 3} and UF{sub 4} is partially explained by the study of the reactions of the three systems: UF{sub 4}-ClF, UF{sub 5}-ClF and UF{sub 5}-ClF{sub 3}. The analytical techniques used are: the micro-sublimation, the infra-red spectroscopy and the thermogravimetry. The origin of the by-products is indicated. (authors) [French] La reaction entre ClF{sub 3} et UF{sub 4} est partiellement expliquee grace a l'etude des reactions des trois systemes UF{sub 4}-ClF, UF{sub 5}-ClF et UF{sub 5}-ClF{sub 3}. Les techniques analytiques utilisees sont: la micro-sublimation, la spectroscopie infrarouge et la thermogravimetrie. L'origine des sous-produits est indiquee. (auteurs)

  4. Nitroreductase catalyzed biotransformation of CL-20

    International Nuclear Information System (INIS)

    Bhushan, Bharat; Halasz, Annamaria; Hawari, Jalal

    2004-01-01

    Previously, we reported that a salicylate 1-monooxygenase from Pseudomonas sp. ATCC 29352 biotransformed CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaaza-isowurtzitane) (C 6 H 6 N 12 O 12 ) and produced a key metabolite with mol. wt. 346Da corresponding to an empirical formula of C 6 H 6 N 10 O 8 which spontaneously decomposed in aqueous medium to produce N 2 O, NH4+, and HCOOH [Appl. Environ. Microbiol. (2004)]. In the present study, we found that nitroreductase from Escherichia coli catalyzed a one-electron transfer to CL-20 to form a radical anion (CL-20 - ) which upon initial N-denitration also produced metabolite C 6 H 6 N 10 O 8 . The latter was tentatively identified as 1,4,5,8-tetranitro-1,3a,4,4a,5,7a,8,8a-octahydro-diimidazo[4,5-b:4',5'-e] pyrazine [IUPAC] which decomposed spontaneously in water to produce glyoxal (OHCCHO) and formic acid (HCOOH). The rates of CL-20 biotransformation under anaerobic and aerobic conditions were 3.4+/-0.2 and 0.25+/-0.01nmolmin -1 mg of protein -1 , respectively. The product stoichiometry showed that each reacted CL-20 molecule produced about 1.8 nitrite ions, 3.3 molecules of nitrous oxide, 1.6 molecules of formic acid, 1.0 molecule of glyoxal, and 1.3 ammonium ions. Carbon and nitrogen products gave mass-balances of 60% and 81%, respectively. A comparative study between native-, deflavo-, and reconstituted-nitroreductase showed that FMN-site was possibly involved in the biotransformation of CL-20

  5. Effect of isospin degree of freedom on transverse momentum spectra

    International Nuclear Information System (INIS)

    Kaur, Sukhjit; Swati

    2013-01-01

    We study the effect of isospin degree of freedom, incident energy as well as system mass on the behavior of transverse momentum spectra, dN/p t dp t , of neutrons and protons. We find that most of the nucleons suffer soft collisions. The effect of isospin degree of freedom on transverse spectra diminishes with the increase in the incident energy. In Fermi energy region, transverse momentum spectra of both protons and neutrons show sensitivity toward the density dependence of symmetry energy. (author)

  6. Molecular and ionic associates in the saturated vapor over erbium trichloride and the ErCl3 - DyCl3 system

    International Nuclear Information System (INIS)

    Pogrebnoj, A.M.; Motalov, V.B.; Kuznetsov, A.Yu.; Kudin, L.S.; Khasanshin, I.V.

    2002-01-01

    The aims of the work are: determination of sublimation enthalpies of erbium trichloride as molecular associates, refinement of sublimation enthalpies in the form of monomer molecules and recovery of thermochemical characteristics and ion components of vapor over the erbium trichloride and the ErCl 3 - DyCl 3 system. The high temperature (969 - 1097 K) mass spectrometry was used for the investigation into the composition of saturated vapor over the erbium trichloride and ErCl 3 - DyCl 3 system, the partial pressures of the neutral components of the vapor were determined. The results of the calculations of the erbium trichloride sublimation enthalpies as monomer, dimer and trimer molecules are demonstrated. The formation enthalpies of the molecules were determined based on the obtained sublimation enthalpies and the formation enthalpies of the erbium trichloride in condensed state. The formation enthalpies of the ions were determined on the basis of enthalpies of ion-molecular reactions. The formation enthalpies of the dimer, trimer mixed molecules and ion associates were determined for the first time [ru

  7. Identification of toxic cyclopeptides based on mass spectral library matching

    Directory of Open Access Journals (Sweden)

    Boris L. Milman

    2014-08-01

    Full Text Available To gain perspective on the use of tandem mass spectral libraries for identification of toxic cyclic peptides, the new library was built from 263 mass spectra (mainly MS2 spectra of 59 compounds of that group, such as microcystins, amatoxins, and some related compounds. Mass spectra were extracted from the literature or specially acquired on ESI-Q-ToF and MALDI-ToF/ToF tandem instruments. ESI-MS2 product-ion mass spectra appeared to be rather close to MALDI-ToF/ToF fragment spectra which are uncommon for mass spectral libraries. Testing of the library was based on searches where reference spectra were in turn cross-compared. The percentage of 1st rank correct identifications (true positives was 70% in a general case and 88–91% without including knowingly defective (‘one-dimension’ spectra as test ones. The percentage of 88–91% is the principal estimate for the overall performance of this library that can be used in a method of choice for identification of individual cyclopeptides and also for group recognition of individual classes of such peptides. The approach to identification of cyclopeptides based on mass spectral library matching proved to be the most effective for abundant toxins. That was confirmed by analysis of extracts from two cyanobacterial strains.

  8. Raman and Mid-IR Spectral Analysis of the Atacamite-Structure Hydroxyl/Deuteroxyl Nickel Chlorides Ni2(OH/D)3Cl

    Institute of Scientific and Technical Information of China (English)

    LIU Xiao-Dong; Hagihala Masato; ZHENG Xu-Guang; MENG Dong-Doug; GUO Qi-Xin

    2011-01-01

    @@ Vibrational spectra(Raman 4000-95cm-1 and mid-IR 4000-400cm-1) of the atacamite-structure Ni2(OH)3Cl,including a rarely reported kind of asymmetric trimetric hydrogen bond, as a member of the geometrically frustrated material series and its deuteride Ni2(OD)3Cl are, to the best of our knowledge, reported for the first time and analyzed at room temperature.Through a comparative study of four spectra according to their crystal structural parameters, we assign OH stretching modes v(OH) in a functional group region(3700-3400 cm-1) and their deformation modes δ(NiOH/D) in the correlation peak region(900-600 cm-1)with the corresponding mode frequency ratios ωv(OD)/ωv(OH)≈73% and ωδ(NiOD)/ωδ(NiOH)≈75%, and further self-consistently suggest NiO and Ni-Cl related modes in the fingerprint region(500-200cm-1 and 200-Ocm-1, respectively) by use of the unified six-ligand NiO5Cl and NiO4Cl2 frames.This report may contribute to the spectral analysis of other hydroxyl transition-metal halides and to the understanding of the fundamental physics of their exotic magnetic geometrical frustration property from the spectral changes around the corresponding low transition temperatures.

  9. Constraints on neutrino masses from Lyman-alpha forest power spectrum with BOSS and XQ-100

    Energy Technology Data Exchange (ETDEWEB)

    Yèche, Christophe; Palanque-Delabrouille, Nathalie; Baur, Julien; Bourboux, Hélion du Mas des, E-mail: christophe.yeche@cea.fr, E-mail: nathalie.palanque-delabrouille@cea.fr, E-mail: julien.baur@cea.fr, E-mail: helion.du-mas-des-bourboux@cea.fr [CEA, Centre de Saclay, IRFU/SPP, F-91191 Gif-sur-Yvette (France)

    2017-06-01

    We present constraints on masses of active and sterile neutrinos in the context of the ΛCDMν and ΛWDM models, respectively. We use the one-dimensional Lyα-forest power spectrum from the Baryon Oscillation Spectroscopic Survey (BOSS) of the Sloan Digital Sky Survey (SDSS-III) measured by Palanque-Delabrouille et al. [1], and from the VLT/XSHOOTER legacy survey (XQ-100). In this paper, we present our own measurement of the publicly released XQ-100 quasar spectra, focusing in particular on an improved determination of the spectrograph resolution that allows us to push to smaller scales than the public release and reach k -modes of 0.070 s km{sup −1}. We compare the obtained 1D Lyα flux power spectrum to the one measured by Irsic et al. [2] to k -modes of 0.057 s km{sup −1}. Fitting Lyα data alone leads to cosmological parameters in excellent agreement with the values derived independently from Planck 2015 Cosmic Microwave Background (CMB) data. Combining BOSS and XQ-100 Lyα power spectra, we constrain the sum of neutrino masses to ∑ m {sub ν} < 0.8 eV (95% C.L.) including all identified sources of systematic uncertainties. With the addition of CMB data, this bound is tightened to ∑ m {sub ν} < 0.14 eV (95% C.L.). With their sensitivity to small scales, Lyα data are ideal to constrain ΛWDM models. Using XQ-100 alone, we issue lower bounds on pure dark matter particles: m {sub X} ∼> 2.08 : keV (95% C.L.) for early decoupled thermal relics, and m {sub s} ∼> 10.2 : keV (95% C.L.) for non-resonantly produced right-handed neutrinos. Combining the 1D Lyα-forest power spectrum measured by BOSS and XQ-100, we improve the two bounds to m {sub X} ∼> 4.17 : keV and m {sub s} ∼> 25.0 : keV (95% C.L.), slightly more constraining than what was achieved in Baur et al. 2015 [3] with BOSS data alone. The 3 σ bound shows a more significant improvement, increasing from m {sub X} ∼> 2.74 : keV for BOSS alone to m {sub X} ∼> 3.10 : keV for the combined BOSS

  10. Intense upconversion luminescence and effect of local environment for Tm3+/Yb3+ co-doped novel TeO2-BiCl3 glass system.

    Science.gov (United States)

    Wang, Guonian; Dai, Shixun; Zhang, Junjie; Wen, Lei; Yang, Jianhu; Jiang, Zhonghong

    2006-05-15

    We present the results of a study that uses theoretical and experimental methods to investigate the characteristics of the upconversion luminescence of Tm3+/Yb3+ codoped TeO2-BiCl3 glass system as a function of the BiCl3 fraction. These glasses are potentially important in the design of upconversion fiber lasers. Effect of local environment around Tm3+ on upconversion fluorescence intensity was analyzed by theoretical calculations. The structure and spectroscopic properties were investigated in the experiments by measuring the Raman spectra, IR transmission spectra, and absorption and fluorescence intensities at room temperature. The results indicate that blue luminescence quantum efficiency increases with increasing BiCl3 content from 10 to 60 mol%, which were interpreted by the increase of asymmetry of glass structure, decrease of phonon energy and removing of OH- groups.

  11. Research and development on groundwater dating. Part 11. The proposal of separation method of chloride and sulfate ion for accurate measurement of 36Cl/Cl

    International Nuclear Information System (INIS)

    Nakata, Kotaro; Hasegawa, Takuma

    2010-01-01

    36 Cl is one of the most powerful tools to estimate the residence time of groundwater about 300-1800 thousand years. AMS(Accelerator Mass Spectroscopy) can provide accurate estimation of 36 Cl. However, estimation of 36 Cl by AMS is usually disturbed by isobar such as 36 S. Thus, separation of Cl (usually Cl - form in groundwater) and S (usually SO 4 -2 form in groundwater) is required for accurate estimation of 36 Cl. In previous studies, a methodology (BaSO 4 Method) that uses the difference in solubility between BaSO 4 and BaCl 2 , had been applied as pretreatment method for 36 Cl estimation by AMS. However BaSO 4 Method has following disadvantages; (1) Cl and SO 4 can not be separated completely, (2) accuracy of separation depends on the skills of operator, (3) it takes a long time for treatment, (4) it can not be applied to dilute solutions. Therefore, new methodology that can overcome disadvantages of BaSO 4 method is required for more accurate estimation of 36 Cl. In this study, Column Method based on column chromatography was investigated for pretreatment method for 36 Cl estimation by AMS to separate Cl and SO 4 ions. The conditions for Column Method were determined and adjusted so that Cl and SO 4 ions were separated completely and sufficient amount of Cl for 36 Cl estimation can be treated. The results of AMS measurement showed Column Method can remove SO 4 from Cl more effectively comparing with BaSO 4 method. Furthermore, Column Method was found to have following advantages over BaSO 4 Method; (1) dependence of accuracy of separation on the skills of operator is quite low, (2) treatment can be done within 6 h, (3) it can be applied to dilute solutions. (author)

  12. Funny hills in pion spectra from heavy-ion collisions

    International Nuclear Information System (INIS)

    Rasmussen, J.O.

    1982-03-01

    A discussion of some of the systematic features of the pion spectra in heavy-ions reactions is given. A discussion of the hills and valleys in heavy ion pion spectra that show up at the lower pion energies is given. The following topics are discussed: (1) three kinds of funny hills; (2) π - / + ratios near center of mass; (3) new Monte Carlo studies of charged pion spectra; and (4) pion orbiting about fireballs and Bose-Einstein behavior as explanation for the mid-rapidity P/sub perpendicular to/ approx. = 0.4 to 0.5 m/sub π/c hill

  13. Cloning, functional expression, and characterization of a PKA-activated gastric Cl- channel.

    Science.gov (United States)

    Malinowska, D H; Kupert, E Y; Bahinski, A; Sherry, A M; Cuppoletti, J

    1995-01-01

    cDNA encoding a Cl- channel was isolated from a rabbit gastric library, sequenced, and expressed in Xenopus oocytes. The predicted protein (898 amino acids, relative molecular mass 98,433 Da) was overall 93% similar to the rat brain ClC-2 Cl- channel. However, a 151-amino acid stretch toward the COOH-terminus was 74% similar to ClC-2 with six amino acids deleted. Two new potential protein kinase A (PKA) phosphorylation sites (also protein kinase C phosphorylation sites) were introduced. cRNA-injected Xenopus oocytes expressed a Cl- channel that was active at pHtrans 3 and had a linear current-voltage (I-V) curve and a slope conductance of 29 +/- 1 pS at 800 mM CsCl. A fivefold Cl- gradient caused a rightward shift in the I-V curve with a reversal potential of +30 +/- 3 mV, indicating anion selectivity. The selectivity was I- > Cl- > NO3-. The native and recombinant Cl- channel were both activated in vitro by PKA catalytic subunit and ATP. The electrophysiological and regulatory properties of the cloned and the native channel were similar. The cloned protein may be the Cl- channel involved in gastric HCl secretion.

  14. Analysis of temperature dependence of {sup 35}Cl-NQR frequency in 2,4-D herbicide (2,4-dichlorophenoxy acetic acid); Analiza temperaturowej zaleznosci czestosci {sup 35}Cl-NQR w herbicydzie 2,4-D (kwas dichlorofenoksyoctowy)

    Energy Technology Data Exchange (ETDEWEB)

    Mazurek, P.; Ostafin, M.; Kasprzak, J.; Nogaj, B. [Inst. Fizyki, Uniwersytet A. Mickiewicza, Poznan (Poland)

    1994-12-31

    Biological activity of herbicide depends on electronic structure and molecule dynamics. The former parameter has been investigated by means of NQR spectra on {sup 35}Cl nuclei of 2,4-dichlorophenoxy acetic acid. The analysis of temperature dependency of observed frequency has been done. 12 refs, 3 figs, 1 tab.

  15. Luminescence properties of Na2Sr2Al2PO4Cl9:Sm3+ phosphor

    Science.gov (United States)

    Tamboli, Sumedha; Shahare, D. I.; Dhoble, S. J.

    2018-04-01

    A series of Sm3+ ions doped Na2Sr2Al2PO4Cl9 phosphors were synthesized via solid state synthesis method. Photoluminescence (PL) emission spectra were obtained by keeping excitation wavelength at 406 nm. Emission spectra show three emission peaks at 563 nm, 595 nm and 644 nm. The CIE chromaticity diagram shows emission colour of the phosphor in the orange-red region of the visible spectrum, indicating that the phosphor may be useful in preparing orange light-emitting diodes. Na2Sr2Al2PO4Cl9:Sm3+ phosphors were irradiated by γ-rays from a 60Co source and β-rays from a 90Sr source. Their thermoluminescence (TL) glow curves were obtained by Nucleonix 1009I TL reader. TL Trapping parameters such as activation energy of trapped electrons and order of kinetics were obtained by using Chen's peak shape method, Glow curve fitting method and initial rise method.

  16. Franck-Condon fingerprinting of vibration-tunneling spectra.

    Science.gov (United States)

    Berrios, Eduardo; Sundaradevan, Praveen; Gruebele, Martin

    2013-08-15

    We introduce Franck-Condon fingerprinting as a method for assigning complex vibration-tunneling spectra. The B̃ state of thiophosgene (SCCl2) serves as our prototype. Despite several attempts, assignment of its excitation spectrum has proved difficult because of near-degenerate vibrational frequencies, Fermi resonance between the C-Cl stretching mode and the Cl-C-Cl bending mode, and large tunneling splittings due to the out-of-plane umbrella mode. Hence, the spectrum has never been fitted to an effective Hamiltonian. Our assignment approach replaces precise frequency information with intensity information, eliminating the need for double resonance spectroscopy or combination differences, neither of which have yielded a full assignment thus far. The dispersed fluorescence spectrum of each unknown vibration-tunneling state images its character onto known vibrational progressions in the ground state. By using this Franck-Condon fingerprint, we were able to determine the predominant character of several vibration-tunneling states and assign them; in other cases, the fingerprinting revealed that the states are strongly mixed and cannot be characterized with a simple normal mode assignment. The assigned transitions from vibration-tunneling wave functions that were not too strongly mixed could be fitted within measurement uncertainty by an effective vibration-tunneling Hamiltonian. A fit of all observed vibration-tunneling states will require a full resonance-tunneling Hamiltonian.

  17. The crystal structure of TeCl3+AuCl4-

    International Nuclear Information System (INIS)

    Jones, P.G.; Jentsch, D.; Schwarzmann, E.

    1986-01-01

    TeCl 3 + AuCl 4 - crystallizes in the triclinic space group Panti 1 with a=7.564(2), b=7.720(3), c=8.964(3) A, α=78.26(3), β=88.84(3), γ=89.35(3) 0 , Z=2. The structure was refined to R 0.041 for 1380 reflections. The cation polyhedron, including secondary Te...Cl interactions, is a square pyramid with mean Te-Cl 2.294, Te...Cl 3.028 A. The secondary interactions link the ions to form centrosymmetric (TeCl 3 .AuCl 4 ) 2 dimers. (orig.)

  18. Detection of Chemical/Biological Agents and Stimulants using Quadrupole Ion Trap Mass Spectrometry

    International Nuclear Information System (INIS)

    Harmon, S.H.; Hart, K.J.; Vass, A.A.; Wise, M.B.; Wolf, D.A.

    1999-01-01

    Detection of Chemical/Biological Agents and Simulants A new detector for chemical and biological agents is being developed for the U. S. Army under the Chemical and Biological Mass Spectrometer Block II program. The CBMS Block II is designed to optimize detection of both chemical and biological agents through the use of direct sampling inlets[I], a multi- ported sampling valve and a turbo- based vacuum system to support chemical ionization. Unit mass resolution using air as the buffer gas[2] has been obtained using this design. Software to control the instrument and to analyze the data generated from the instrument has also been newly developed. Detection of chemical agents can be accomplished. using the CBMS Block II design via one of two inlets - a l/ I 6'' stainless steel sample line -Chemical Warfare Air (CW Air) or a ground probe with enclosed capillary currently in use by the US Army - CW Ground. The Block II design is capable of both electron ionization and chemical ionization. Ethanol is being used as the Cl reagent based on a study indicating best performance for the Biological Warfare (BW) detection task (31). Data showing good signal to noise for 500 pg of methyl salicylate injected into the CW Air inlet, 50 ng of dimethylmethylphosphonate exposed to the CW Ground probe and 5 ng of methyl stearate analyzed using the pyrolyzer inlet were presented. Biological agents are sampled using a ''bio-concentrator'' unit that is designed to concentrate particles in the low micron range. Particles are collected in the bottom of a quartz pyrolyzer tube. An automated injector is being developed to deliver approximately 2 pL of a methylating reagent, tetramethylamonium- hydroxide to 'the collected particles. Pyrolysis occurs by rapid heating to ca. 55OOC. Biological agents are then characterized by their fatty acid methyl ester profiles and by other biomarkers. A library of ETOH- Cl/ pyrolysis MS data of microorganisms used for a recently published study[3] has been

  19. Fast methods of fungal and bacterial identification. MALDI-TOF mass spectrometry, chromogenic media.

    Science.gov (United States)

    Siller-Ruiz, María; Hernández-Egido, Sara; Sánchez-Juanes, Fernando; González-Buitrago, José Manuel; Muñoz-Bellido, Juan Luis

    2017-05-01

    MALDI-TOF mass spectrometry is now a routine resource in Clinical Microbiology, because of its speed and reliability in the identification of microorganisms. Its performance in the identification of bacteria and yeasts is perfectly contrasted. The identification of mycobacteria and moulds is more complex, due to the heterogeneity of spectra within each species. The methodology is somewhat more complex, and expanding the size of species libraries, and the number of spectra of each species, will be crucial to achieve greater efficiency. Direct identification from blood cultures has been implemented, since its contribution to the management of severe patients is evident, but its application to other samples is more complex. Chromogenic media have also contributed to the rapid diagnosis in both bacteria and yeast, since they accelerate the diagnosis, facilitate the detection of mixed cultures and allow rapid diagnosis of resistant species. Copyright © 2017 Elsevier España, S.L.U. and Sociedad Española de Enfermedades Infecciosas y Microbiología Clínica. All rights reserved.

  20. Experimental studies on cycling stable characteristics of inorganic phase change material CaCl2·6H2O-MgCl2·6H2O modified with SrCl2·6H2O and CMC

    Science.gov (United States)

    He, Meizhi; Yang, Luwei; Zhang, Zhentao

    2018-01-01

    By means of mass ratio method, binary eutectic hydrated salts inorganic phase change thermal energy storage system CaCl2·6H2O-20wt% MgCl2·6H2O was prepared, and through adding nucleating agent 1wt% SrCl2·6H2O and thickening agent 0.5wt% carboxy methyl cellulose (CMC), inoganic phase change material (PCM) modified was obtained. With recording cooling-melting curves simultaneously, this PCM was frozen and melted for 100 cycles under programmable temperature control. After per 10 cycles, the PCM was charaterized by differential scanning calorimeter (DSC), X-ray diffraction (XRD) and density meter, then analysing variation characteristics of phase change temperature, supercooling degree, superheat degree, latent heat, crystal structure and density with the increase of cycle index. The results showed that the average values of average phase change temperature for cooling and heating process were 25.70°C and 27.39°C respectively with small changes. The average values of average supercooling and superheat degree were 0.59°C and 0.49°C respectively, and the maximum value was 1.10°C. The average value and standard deviation of latent heat of fusion were 120.62 J/g and 1.90 J/g respectively. Non-molten white solid sediments resulted from phase separation were tachyhydrite (CaMg2Cl6·12H2O), which was characterized by XRD. Measuring density of the PCM after per 10 cycles, and the results suggested that the total mass of tachyhydrite was limited. In summary, such modified inoganic PCM CaCl2·6H2O-20wt% MgCl2·6H2O-1wt% SrCl2·6H2O-0.5wt% CMC could stay excellent circulation stability within 100 cycles, and providing reference value in practical use.

  1. Activation measurements for thermal neutrons. Part G. Natural 36Cl production in mineral samples

    International Nuclear Information System (INIS)

    Nolte, Eckehart; Huber, Thomas; Lazarev, Vitali; Ruehm, Werner; Kato, Kazuo; Schultz, Ludolf

    2005-01-01

    In the present paper, a method was developed to calculate the contribution of natural in situ production of 36 Cl in mineral samples to the 36 Cl signal induced by the neutrons from the Hiroshima bomb. Parameters used in the calculations include local erosion rates, lithospheric depth, and elemental composition for each investigated sample. It has been shown that the calculations agree within their uncertainties with 36 Cl values measured by means of accelerator mass spectrometry, in granite samples from quarries with known locations. Both calculations and measurements suggest typical 36 Cl/Cl ratios of about 10 -13 in mineral samples. (J.P.N.)

  2. Search for electroweak production of supersymmetric states in scenarios with compressed mass spectra at √{s }=13 TeV with the ATLAS detector

    Science.gov (United States)

    Aaboud, M.; Aad, G.; Abbott, B.; Abdinov, O.; Abeloos, B.; Abidi, S. H.; Abouzeid, O. S.; Abraham, N. L.; Abramowicz, H.; Abreu, H.; Abulaiti, Y.; Acharya, B. S.; Adachi, S.; Adamczyk, L.; Adelman, J.; Adersberger, M.; Adye, T.; Affolder, A. A.; Afik, Y.; Agheorghiesei, C.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akatsuka, S.; Åkesson, T. P. A.; Akilli, E.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albicocco, P.; Alconada Verzini, M. J.; Alderweireldt, S. C.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Ali, B.; Aliev, M.; Alimonti, G.; Alison, J.; Alkire, S. P.; Allaire, C.; Allbrooke, B. M. M.; Allen, B. W.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Alshehri, A. A.; Alstaty, M. I.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amaral Coutinho, Y.; Ambroz, L.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amoroso, S.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Angerami, A.; Anisenkov, A. V.; Annovi, A.; Antel, C.; Antonelli, M.; Antonov, A.; Antrim, D. J.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Araujo Ferraz, V.; Araujo Pereira, R.; Arce, A. T. H.; Ardell, R. E.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Armbruster, A. J.; Armitage, L. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkin, R. J.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Avolio, G.; Avramidou, R.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baas, A. E.; Baca, M. J.; Bachacou, H.; Bachas, K.; Backes, M.; Bagnaia, P.; Bahmani, M.; Bahrasemani, H.; Baines, J. T.; Bajic, M.; Baker, O. K.; Bakker, P. J.; Bakshi Gupta, D.; Baldin, E. M.; Balek, P.; Balli, F.; Balunas, W. K.; Banas, E.; Bandyopadhyay, A.; Banerjee, Sw.; Bannoura, A. A. E.; Barak, L.; Barberio, E. L.; Barberis, D.; Barbero, M.; Barillari, T.; Barisits, M.-S.; Barkeloo, J. T.; Barklow, T.; Barlow, N.; Barnes, S. L.; Barnett, B. M.; Barnett, R. M.; Barnovska-Blenessy, Z.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barranco Navarro, L.; Barreiro, F.; Barreiro Guimarães da Costa, J.; Bartoldus, R.; Barton, A. E.; Bartos, P.; Basalaev, A.; Bassalat, A.; Bates, R. L.; Batista, S. J.; Batley, J. R.; Battaglia, M.; Bauce, M.; Bauer, F.; Bauer, K. T.; Bawa, H. S.; Beacham, J. B.; Beattie, M. D.; Beau, T.; Beauchemin, P. H.; Bechtle, P.; Beck, H. P.; Beck, H. C.; Becker, K.; Becker, M.; Becot, C.; Beddall, A. J.; Beddall, A.; Bednyakov, V. A.; Bedognetti, M.; Bee, C. P.; Beermann, T. A.; Begalli, M.; Begel, M.; Behera, A.; Behr, J. K.; Bell, A. S.; Bella, G.; Bellagamba, L.; Bellerive, A.; Bellomo, M.; Belotskiy, K.; Belyaev, N. L.; Benary, O.; Benchekroun, D.; Bender, M.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez, J.; Benjamin, D. P.; Benoit, M.; Bensinger, J. R.; Bentvelsen, S.; Beresford, L.; Beretta, M.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Bergsten, L. J.; Beringer, J.; Berlendis, S.; Bernard, N. R.; Bernardi, G.; Bernius, C.; Bernlochner, F. U.; Berry, T.; Berta, P.; Bertella, C.; Bertoli, G.; Bertram, I. A.; Bertsche, C.; Besjes, G. J.; Bessidskaia Bylund, O.; Bessner, M.; Besson, N.; Bethani, A.; Bethke, S.; Betti, A.; Bevan, A. J.; Beyer, J.; Bianchi, R. M.; Biebel, O.; Biedermann, D.; Bielski, R.; Bierwagen, K.; Biesuz, N. V.; Biglietti, M.; Billoud, T. R. V.; Bindi, M.; Bingul, A.; Bini, C.; Biondi, S.; Bisanz, T.; Bittrich, C.; Bjergaard, D. M.; Black, J. E.; Black, K. M.; Blair, R. E.; Blazek, T.; Bloch, I.; Blocker, C.; Blue, A.; Blumenschein, U.; Blunier, Dr.; Bobbink, G. J.; Bobrovnikov, V. S.; Bocchetta, S. 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W.; Higashino, S.; Higón-Rodriguez, E.; Hildebrand, K.; Hill, E.; Hill, J. C.; Hiller, K. H.; Hillier, S. J.; Hils, M.; Hinchliffe, I.; Hirose, M.; Hirschbuehl, D.; Hiti, B.; Hladik, O.; Hlaluku, D. R.; Hoad, X.; Hobbs, J.; Hod, N.; Hodgkinson, M. C.; Hoecker, A.; Hoeferkamp, M. R.; Hoenig, F.; Hohn, D.; Hohov, D.; Holmes, T. R.; Holzbock, M.; Homann, M.; Honda, S.; Honda, T.; Hong, T. M.; Hooberman, B. H.; Hopkins, W. H.; Horii, Y.; Horton, A. J.; Horyn, L. A.; Hostachy, J.-Y.; Hostiuc, A.; Hou, S.; Hoummada, A.; Howarth, J.; Hoya, J.; Hrabovsky, M.; Hrdinka, J.; Hristova, I.; Hrivnac, J.; Hryn'ova, T.; Hrynevich, A.; Hsu, P. J.; Hsu, S.-C.; Hu, Q.; Hu, S.; Huang, Y.; Hubacek, Z.; Hubaut, F.; Huegging, F.; Huffman, T. B.; Hughes, E. W.; Huhtinen, M.; Hunter, R. F. H.; Huo, P.; Hupe, A. M.; Huseynov, N.; Huston, J.; Huth, J.; Hyneman, R.; Iacobucci, G.; Iakovidis, G.; Ibragimov, I.; Iconomidou-Fayard, L.; Idrissi, Z.; Iengo, P.; Igonkina, O.; Iizawa, T.; Ikegami, Y.; Ikeno, M.; Iliadis, D.; Ilic, N.; Iltzsche, F.; Introzzi, G.; Iodice, M.; Iordanidou, K.; Ippolito, V.; Isacson, M. F.; Ishijima, N.; Ishino, M.; Ishitsuka, M.; Issever, C.; Istin, S.; Ito, F.; Iturbe Ponce, J. M.; Iuppa, R.; Iwasaki, H.; Izen, J. M.; Izzo, V.; Jabbar, S.; Jacka, P.; Jackson, P.; Jacobs, R. M.; Jain, V.; Jakel, G.; Jakobi, K. B.; Jakobs, K.; Jakobsen, S.; Jakoubek, T.; Jamin, D. O.; Jana, D. K.; Jansky, R.; Janssen, J.; Janus, M.; Janus, P. A.; Jarlskog, G.; Javadov, N.; Javå¯Rek, T.; Javurkova, M.; Jeanneau, F.; Jeanty, L.; Jejelava, J.; Jelinskas, A.; Jenni, P.; Jeske, C.; Jézéquel, S.; Ji, H.; Jia, J.; Jiang, H.; Jiang, Y.; Jiang, Z.; Jiggins, S.; Jimenez Pena, J.; Jin, S.; Jinaru, A.; Jinnouchi, O.; Jivan, H.; Johansson, P.; Johns, K. A.; Johnson, C. A.; Johnson, W. J.; Jon-And, K.; Jones, R. W. L.; Jones, S. D.; Jones, S.; Jones, T. J.; Jongmanns, J.; Jorge, P. M.; Jovicevic, J.; Ju, X.; Juste Rozas, A.; Kaczmarska, A.; Kado, M.; Kagan, H.; Kagan, M.; Kahn, S. J.; Kaji, T.; Kajomovitz, E.; Kalderon, C. W.; Kaluza, A.; Kama, S.; Kamenshchikov, A.; Kanjir, L.; Kano, Y.; Kantserov, V. A.; Kanzaki, J.; Kaplan, B.; Kaplan, L. S.; Kar, D.; Karakostas, K.; Karastathis, N.; Kareem, M. J.; Karentzos, E.; Karpov, S. N.; Karpova, Z. M.; Kartvelishvili, V.; Karyukhin, A. N.; Kasahara, K.; Kashif, L.; Kass, R. D.; Kastanas, A.; Kataoka, Y.; Kato, C.; Katre, A.; Katzy, J.; Kawade, K.; Kawagoe, K.; Kawamoto, T.; Kawamura, G.; Kay, E. F.; Kazanin, V. F.; Keeler, R.; Kehoe, R.; Keller, J. S.; Kellermann, E.; Kempster, J. J.; Kendrick, J.; Keoshkerian, H.; Kepka, O.; Kerševan, B. P.; Kersten, S.; Keyes, R. A.; Khader, M.; Khalil-Zada, F.; Khanov, A.; Kharlamov, A. G.; Kharlamova, T.; Khodinov, A.; Khoo, T. 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E.; Strandberg, J.; Strandberg, S.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Suchek, S.; Sugaya, Y.; Suk, M.; Sulin, V. V.; Sultan, Dms; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Suruliz, K.; Suster, C. J. E.; Sutton, M. R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Swift, S. P.; Sydorenko, A.; Sykora, I.; Sykora, T.; Ta, D.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Tahirovic, E.; Taiblum, N.; Takai, H.; Takashima, R.; Takasugi, E. H.; Takeda, K.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tanaka, J.; Tanaka, M.; Tanaka, R.; Tanioka, R.; Tannenwald, B. B.; Tapia Araya, S.; Tapprogge, S.; Tarek Abouelfadl Mohamed, A. T.; Tarem, S.; Tarna, G.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, A. C.; Taylor, A. J.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teixeira-Dias, P.; Temple, D.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Thais, S. J.; Theveneaux-Pelzer, T.; Thiele, F.; Thomas, J. P.; Thompson, P. D.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Tian, Y.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tipton, P.; Tisserant, S.; Todome, K.; Todorova-Nova, S.; Todt, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tolley, E.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, B.; Tornambe, P.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Treado, C. J.; Trefzger, T.; Tresoldi, F.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Trofymov, A.; Troncon, C.; Trovatelli, M.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tsang, K. W.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tu, Y.; Tudorache, A.; Tudorache, V.; Tulbure, T. T.; Tuna, A. N.; Turchikhin, S.; Turgeman, D.; Turk Cakir, I.; Turra, R.; Tuts, P. M.; Ucchielli, G.; Ueda, I.; Ughetto, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Uno, K.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usui, J.; Vacavant, L.; Vacek, V.; Vachon, B.; Vadla, K. O. H.; Vaidya, A.; Valderanis, C.; Valdes Santurio, E.; Valente, M.; Valentinetti, S.; Valero, A.; Valéry, L.; Vallier, A.; Valls Ferrer, J. A.; van den Wollenberg, W.; van der Graaf, H.; van Gemmeren, P.; van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vaniachine, A.; Vankov, P.; Vari, R.; Varnes, E. W.; Varni, C.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vasquez, J. G.; Vasquez, G. A.; Vazeille, F.; Vazquez Furelos, D.; Vazquez Schroeder, T.; Veatch, J.; Veloce, L. M.; Veloso, F.; Veneziano, S.; Ventura, A.; Venturi, M.; Venturi, N.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, A. T.; Vermeulen, J. C.; Vetterli, M. C.; Viaux Maira, N.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigani, L.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vishwakarma, A.; Vittori, C.; Vivarelli, I.; Vlachos, S.; Vogel, M.; Vokac, P.; Volpi, G.; von Buddenbrock, S. E.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Wagner, P.; Wagner, W.; Wagner-Kuhr, J.; Wahlberg, H.; Wahrmund, S.; Wakamiya, K.; Walder, J.; Walker, R.; Walkowiak, W.; Wallangen, V.; Wang, A. M.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, Q.; Wang, R.-J.; Wang, R.; Wang, S. M.; Wang, T.; Wang, W.; Wang, W.; Wang, Z.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, A. F.; Webb, S.; Weber, M. S.; Weber, S. M.; Weber, S. A.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weirich, M.; Weiser, C.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M. D.; Werner, P.; Wessels, M.; Weston, T. D.; Whalen, K.; Whallon, N. L.; Wharton, A. M.; White, A. S.; White, A.; White, M. J.; White, R.; Whiteson, D.; Whitmore, B. W.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilk, F.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, J. A.; Wingerter-Seez, I.; Winkels, E.; Winklmeier, F.; Winston, O. J.; Winter, B. T.; Wittgen, M.; Wobisch, M.; Wolf, A.; Wolf, T. M. H.; Wolff, R.; Wolter, M. W.; Wolters, H.; Wong, V. W. S.; Woods, N. L.; Worm, S. D.; Wosiek, B. K.; Wozniak, K. W.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xi, Z.; Xia, L.; Xu, D.; Xu, L.; Xu, T.; Xu, W.; Yabsley, B.; Yacoob, S.; Yajima, K.; Yallup, D. P.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamanaka, T.; Yamane, F.; Yamatani, M.; Yamazaki, T.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, S.; Yang, Y.; Yang, Z.; Yao, W.-M.; Yap, Y. C.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yigitbasi, E.; Yildirim, E.; Yorita, K.; Yoshihara, K.; Young, C.; Young, C. J. S.; Yu, J.; Yu, J.; Yuen, S. P. Y.; Yusuff, I.; Zabinski, B.; Zacharis, G.; Zaidan, R.; Zaitsev, A. M.; Zakharchuk, N.; Zalieckas, J.; Zambito, S.; Zanzi, D.; Zeitnitz, C.; Zemaityte, G.; Zeng, J. C.; Zeng, Q.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, D.; Zhang, F.; Zhang, G.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, L.; Zhang, M.; Zhang, P.; Zhang, R.; Zhang, R.; Zhang, X.; Zhang, Y.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, M.; Zhou, M.; Zhou, N.; Zhou, Y.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zhulanov, V.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; Zorbas, T. G.; Zou, R.; Zur Nedden, M.; Zwalinski, L.; Atlas Collaboration

    2018-03-01

    A search for electroweak production of supersymmetric particles in scenarios with compressed mass spectra in final states with two low-momentum leptons and missing transverse momentum is presented. This search uses proton-proton collision data recorded by the ATLAS detector at the Large Hadron Collider in 2015-2016, corresponding to 36.1 fb-1 of integrated luminosity at √{s }=13 TeV . Events with same-flavor pairs of electrons or muons with opposite electric charge are selected. The data are found to be consistent with the Standard Model prediction. Results are interpreted using simplified models of R -parity-conserving supersymmetry in which there is a small mass difference between the masses of the produced supersymmetric particles and the lightest neutralino. Exclusion limits at 95% confidence level are set on next-to-lightest neutralino masses of up to 145 GeV for Higgsino production and 175 GeV for wino production, and slepton masses of up to 190 GeV for pair production of sleptons. In the compressed mass regime, the exclusion limits extend down to mass splittings of 2.5 GeV for Higgsino production, 2 GeV for wino production, and 1 GeV for slepton production. The results are also interpreted in the context of a radiatively-driven natural supersymmetry model with nonuniversal Higgs boson masses.

  3. The distinction between chondroma and chondrosarcoma using chemical element mass fractions in tumors determined by neutron activation analysis as diagnostic markers

    International Nuclear Information System (INIS)

    Zaichick, Vladimir; Zaichick, Sofia

    2016-01-01

    The Ca, Cl, Mg, Na, and P content and Ca/P, Ca/Mg, Ca/Na, Cl/Ca, and Cl/Na ratios in tissue of intact bone, chondroma and chondrosarcoma were investigated by neutron activation analysis. It was shown that higher mass fraction of Cl and Na and also Cl/Na mass fraction ratio as well as lower Ca/Cl and Ca/Na mass fraction ratios are typical of the chondrosarcoma tissue compared to chondroma. Finally, it was proposed to use the estimation of such parameters as the Cl mass fraction and the Ca/Cl and Ca/Na mass fraction ratios as an additional test for differential diagnosis between chondroma and chondrosarcoma. (author)

  4. Contrastive Analysis of the Raman Spectra of Polychlorinated Benzene: Hexachlorobenzene and Benzene

    Directory of Open Access Journals (Sweden)

    Zhengjun Zhang

    2011-12-01

    Full Text Available Detection of persistent pollutants such as polychlorinated benzene in environment in trace amounts is challenging, but important. It is more difficult to distinguish homologues and isomers of organic pollutantd when present in trace amounts because of their similar physical and chemical properties. In this work we simulate the Raman spectra of hexachlorobenzene and benzene, and figure out the vibration mode of each main peak. The effect on the Raman spectrum of changing substituents from H to Cl is analyzed to reveal the relations between the Raman spectra of homologues and isomers of polychlorinated benzene, which should be helpful for distinguishing one kind of polychlorinated benzene from its homologues and isomers by surface enhanced Raman scattering.

  5. Measurement of 36Cl induced in shielding concrete of various accelerator facilities

    International Nuclear Information System (INIS)

    Bessho, K.; Matsumura, H.; Matsuhiro, T.

    2003-01-01

    The concentrations of 36 Cl induced in shielding concrete of the various accelerators has been measured by accelerator mass spectrometry. For three kinds of accelerator facilities, SF cyclotron (Center for Nuclear Study, the University of Tokyo), 300 MeV electron LINAC (Laboratory of Nuclear Science, Tohoku University), and 12 GeV proton synchrotron (High Energy Accelerator Research Organization), the depth profiles of 36 Cl/ 35 Cl ratios in concrete samples near the beam lines were analyzed. The depth profiles of 36 Cl/ 35 Cl are consistent with those of the radioactive concentrations of 152 Eu and 60 Co, which are formed by thermal neutron capture reactions. These results imply that 36 Cl formed in shielding concrete of these accelerators is mainly produced by thermal neutron capture of 35 Cl. The maximum 36 Cl/ 35 Cl ratio of 3x10 -8 (300 MeV electron LINAC, depth of 8 cm) corresponds to the specific radioactivity of 2x10 -3 Bq/g, which is not serious for radioactive waste management in reconstruction or decommissioning of accelerator facilities, compared with specific radioactivity of 3 H, 152 Eu and 60 Co. (author)

  6. The BDNYC database of low-mass stars, brown dwarfs, and planetary mass companions

    Science.gov (United States)

    Cruz, Kelle; Rodriguez, David; Filippazzo, Joseph; Gonzales, Eileen; Faherty, Jacqueline K.; Rice, Emily; BDNYC

    2018-01-01

    We present a web-interface to a database of low-mass stars, brown dwarfs, and planetary mass companions. Users can send SELECT SQL queries to the database, perform searches by coordinates or name, check the database inventory on specified objects, and even plot spectra interactively. The initial version of this database contains information for 198 objects and version 2 will contain over 1000 objects. The database currently includes photometric data from 2MASS, WISE, and Spitzer and version 2 will include a significant portion of the publicly available optical and NIR spectra for brown dwarfs. The database is maintained and curated by the BDNYC research group and we welcome contributions from other researchers via GitHub.

  7. The effect of instanton-induced interaction on P-wave meson spectra ...

    Indian Academy of Sciences (India)

    possible to reproduce the observed spectra as the tensor and spin-orbit terms of. OGEP are attractive, and hence naturally triplet states masses will be lower than the corresponding singlet states. Hence, to reproduce the full P-wave spectra it is essential to include the hyperfine interaction term of III to have a consistent. 76.

  8. ROSAT Energy Spectra of Low-Mass X-Ray Binaries

    Science.gov (United States)

    Schulz, N. S.

    1999-01-01

    The 0.1-2.4 keV bandpass of the ROSAT Position Sensitive Proportional Counter (PSPC) offers an opportunity to study the very soft X-ray continuum of bright low-mass X-ray binaries (LMXBs). In 46 pointed observations, 23 LMXBs were observed with count rates between 0.4 and 165.4 counts s-1. The survey identified a total of 29 different luminosity levels, which are compared with observations and identified spectral states from other missions. The atoll source 4U 1705-44 was observed near Eddington luminosities in an unusually high intensity state. Spectral analysis provided a measure of the interstellar column density for all 49 observations. The sensitivity of spectral fits depends strongly on column density. Fits to highly absorbed spectra are merely insensitive toward any particular spectral model. Sources with column densities well below 1022 cm-2 are best fitted by power laws, while the blackbody model gives clearly worse fits to the data. Most single-component fits from sources with low column densities, however, are not acceptable at all. The inclusion of a blackbody component in eight sources can improve the fits significantly. The obtained emission radii of less than 5 km suggest emission from the neutron star surface. In 10 sources acceptable fits can only be achieved by including soft-line components. With a spectral resolution of the PSPC of 320-450 eV, between 0.6 and 1.2 keV unresolved broad-line features were detected around 0.65, 0.85, and 1.0 keV. The line fluxes range within 10-11 and 10-12 ergs cm-2 s-1, with equivalent widths between 24 and 210 eV. In LMC X-2, 2S 0918-549, and 4U 1254-690, line emission is indicated for the first time. The soft emission observed in 4U 0614+091 compares with recent ASCA results, with a new feature indicated at 1.31 keV. The deduced line fluxes in 4U 1820-30 and Cyg X-2 showed variability of a factor of 2 within timescales of 1-2 days. Average fluxes of line components in 4U 1820-30 varied by the same factor over a

  9. AMS Measurement of 36Cl with a Q3D Magnetic Spectrometer at CIAE

    International Nuclear Information System (INIS)

    Li Chaoli; He Ming; Wu Shaoyong; Li Zhenyu; Liu Jiancheng; Dong Kejun; Jiang Shan; Zhang Wei; He Xianwen

    2012-01-01

    The ratio of 36 Cl/Cl can determine the exposure age of surface rocks and monitor the secular equilibrium of 36 Cl of sedimentary and igneous rock in groundwater. Due to the uncertainty effects of different chemical separation processes for removing 36 S, there is a high degree of uncertainty in 36 Cl accelerator mass spectrometry (AMS) measurements if the ratio of 36 Cl/Cl is lower than 10 -14 . A 36 Cl AMS higher sensitivity measurement has been set up by using a ΔE-Q3D method at the China Institute of Atomic Energy (CIAE). The performances of ΔE-Q3D method for 36 Cl-AMS measurement had been systemically studied. The experimental results show that the ΔE-Q3D method has a higher isobar suppression factor. Taking advantage of direct removing 36 S, the sample preparation can be simplified and the uncertainty effects of different chemical separation processes can be reduced in 36 Cl AMS measurements.

  10. Peptide Peak Detection for Low Resolution MALDI-TOF Mass Spectrometry.

    Science.gov (United States)

    Yao, Jingwen; Utsunomiya, Shin-Ichi; Kajihara, Shigeki; Tabata, Tsuyoshi; Aoshima, Ken; Oda, Yoshiya; Tanaka, Koichi

    2014-01-01

    A new peak detection method has been developed for rapid selection of peptide and its fragment ion peaks for protein identification using tandem mass spectrometry. The algorithm applies classification of peak intensities present in the defined mass range to determine the noise level. A threshold is then given to select ion peaks according to the determined noise level in each mass range. This algorithm was initially designed for the peak detection of low resolution peptide mass spectra, such as matrix-assisted laser desorption/ionization Time-of-Flight (MALDI-TOF) mass spectra. But it can also be applied to other type of mass spectra. This method has demonstrated obtaining a good rate of number of real ions to noises for even poorly fragmented peptide spectra. The effect of using peak lists generated from this method produces improved protein scores in database search results. The reliability of the protein identifications is increased by finding more peptide identifications. This software tool is freely available at the Mass++ home page (http://www.first-ms3d.jp/english/achievement/software/).

  11. 20 Years of ClO Measurements in the Antarctic Lower Stratosphere

    Science.gov (United States)

    Nedoluha, Gerald E.; Connor, Brian J.; Mooney, Thomas; Barrett, James W.; Parrish, Alan; Gomez, R. Michael; Boyd, Ian; Allen, Douglas R.; Kotkamp, Michael; Kremser, Stefanie; hide

    2016-01-01

    We present 20 years (1996-2015) of austral springtime measurements of chlorine monoxide (ClO) over Antarctica from the Chlorine Oxide Experiment (ChlOEl) ground-based millimeter wave spectrometer at Scott Base, Antarctica, as well 12 years (2004-2015) of ClO measurements from the Aura Microwave Limb Sounder (MLS). From August onwards we observe a strong increase in lower stratospheric ClO, with a peak column amount usually occurring in early September. From mid-September onwards we observe a strong decrease in ClO. In order to study interannual differences, we focus on a 3-week period from 28 August to 17 September for each year and compare the average column ClO anomalies. These column ClO anomalies are shown to be highly correlated with the average ozone mass deficit for September and October of each year. We also show that anomalies in column ClO are strongly anti-correlated with 30 hPa temperature anomalies, both on a daily and an interannual timescale. Making use of this anti-correlation we calculate the linear dependence of the interannual variations in column C1O on interannual variations in temperature. By making use of this relationship, we can better estimate the underlying trend in the total chlorine (Cl(sub y) = HCl + ClONO2 + HOCl + 2 x Cl2 + 2 x Cl2+ ClO + Cl). The resultant trends in Cl(sub y), which determine the long-term trend in ClO, are estimated to be -0.5 +/-0.2, -1.40.9, and -0.60.4% per year, for zonal MLS, Scott Base MLS (both 2004-2015), and ChlOE (1996-2015) respectively. These trends are within 1sigma of trends in stratospheric Cl(sub y) previously found at other latitudes. The decrease in ClO is consistent with the trend expected from regulations enacted under the Montreal Protocol.

  12. Proteomic changes in Debaryomyces hansenii upon exposure to NaCl stress

    DEFF Research Database (Denmark)

    Gori, Klaus; Hébraud, Michel; Chambon, Christophe

    2007-01-01

    The proteome of the highly NaCl-tolerant yeast Debaryomyces hansenii was investigated by two-dimensional polyacrylamide gel electrophoresis (2D PAGE), and 47 protein spots were identified by matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF) followed by mass spectrometry (MS...... 7% and 4% of the rate in medium without NaCl. In addition, the number of protein spots detected on 2D gels prepared from cells exposed to 8% and 12% (w/v) NaCl exceeded less than 28% of the number of protein spots detected on 2D gels prepared from cells without added NaCl. Several proteins were...

  13. Assessment of Aquifer Age and Replenishment Rate by Utilizing 36Cl-Pulse

    International Nuclear Information System (INIS)

    Challan, M.B.; Challan, M.B.; Labib, A.A.; Labib, A.A.

    2015-01-01

    The present study aims at estimating the residence-time of groundwater based on bomb-produced 36 Cl. Water samples were collected from some selected wells located around Al-Zulfi province, Riyadh central region, Saudi Arabia. 36 The Cl/Cl ratios in the water samples were determined by Inductively Coupled Plasma Mass Spectrometry (ICPMS) and Liquid Scintillation Counting(LSC). 36 The Cl/Cl ratios in the groundwater were estimated to be 1.0-2.0×10 -10 . The shallow unconfined aquifer of the area is mainly replenished by the water infiltration from the seasonal rains. Estimates of residence time were obtained by comparing the measured bomb-derived 36 Cl concentrations in groundwater with the background reference. Dating based on a 36 Cl bomb pulse may be more reliable and sensitive for groundwater recharged before 1975, back as far as the mid-1950s.The above 36 Cl-background concentration was deduced by determining accurately the background corrected Dye-3 ice core data from the frozen Arctic Data, according to the estimated total 3 '6Cl resources, including bomb-produced '3 6 Cl fallout. An estimated residence time of 7.81×10 4 y was obtained from extrapolated flow velocity. It was noticed that 36 Cl concentration in groundwater does not reflect the input of bomb pulse 36 Cl, it belongs to the era before 1950

  14. X-ray, MP2 and DFT studies of the structure and vibrational spectra of trigonellinium chloride

    International Nuclear Information System (INIS)

    Szafran, M.; Koput, J.; Dega-Szafran, Z.; Katrusiak, A.; Pankowski, M.; Stobiecka, K.

    2003-01-01

    The effects of hydrogen bonding, inter- and intramolecular electrostatic interactions on the conformation of trigonellinium chloride, TRGH...Cl, in the crystal and on that of a single molecule have been studied by X-ray diffraction, FT-IR, Raman, 1 H and 13 C NMR spectroscopies, and by MP2 and DFT calculations. In the crystal, the Cl - anion is connected with protonated trigonelline via hydrogen bond, O-H...Cl - =2.915(3) Angst, and three N + ...Cl - intermolecular electrostatic interactions. In a single molecule, the Cl - anion is also engaged in a slightly longer hydrogen bond, O-H...Cl - =2.948-3.019 Angst, but only in one type of intramolecular electrostatic interaction. The optimized bond lengths and bond angles at the MP2 and B3LYP levels of theory are in good agreement with the X-ray data, except conformation of the COOH group, which is cis (syn) in the crystal and trans (anti) in the single molecule. The probable assignments for the experimental solid state vibrational spectra of TRGH.Cl and TRGD.Cl based on the calculated MP2/cc-pVDZ frequencies and intensities were made. The effect of quaternization of nicotinic acid, its salt and amide on chemical shifts of the ring protons and carbons is analyzed

  15. MaRaCluster: A Fragment Rarity Metric for Clustering Fragment Spectra in Shotgun Proteomics.

    Science.gov (United States)

    The, Matthew; Käll, Lukas

    2016-03-04

    Shotgun proteomics experiments generate large amounts of fragment spectra as primary data, normally with high redundancy between and within experiments. Here, we have devised a clustering technique to identify fragment spectra stemming from the same species of peptide. This is a powerful alternative method to traditional search engines for analyzing spectra, specifically useful for larger scale mass spectrometry studies. As an aid in this process, we propose a distance calculation relying on the rarity of experimental fragment peaks, following the intuition that peaks shared by only a few spectra offer more evidence than peaks shared by a large number of spectra. We used this distance calculation and a complete-linkage scheme to cluster data from a recent large-scale mass spectrometry-based study. The clusterings produced by our method have up to 40% more identified peptides for their consensus spectra compared to those produced by the previous state-of-the-art method. We see that our method would advance the construction of spectral libraries as well as serve as a tool for mining large sets of fragment spectra. The source code and Ubuntu binary packages are available at https://github.com/statisticalbiotechnology/maracluster (under an Apache 2.0 license).

  16. Automated protein identification by the combination of MALDI MS and MS/MS spectra from different instruments.

    Science.gov (United States)

    Levander, Fredrik; James, Peter

    2005-01-01

    The identification of proteins separated on two-dimensional gels is most commonly performed by trypsin digestion and subsequent matrix-assisted laser desorption ionization (MALDI) with time-of-flight (TOF). Recently, atmospheric pressure (AP) MALDI coupled to an ion trap (IT) has emerged as a convenient method to obtain tandem mass spectra (MS/MS) from samples on MALDI target plates. In the present work, we investigated the feasibility of using the two methodologies in line as a standard method for protein identification. In this setup, the high mass accuracy MALDI-TOF spectra are used to calibrate the peptide precursor masses in the lower mass accuracy AP-MALDI-IT MS/MS spectra. Several software tools were developed to automate the analysis process. Two sets of MALDI samples, consisting of 142 and 421 gel spots, respectively, were analyzed in a highly automated manner. In the first set, the protein identification rate increased from 61% for MALDI-TOF only to 85% for MALDI-TOF combined with AP-MALDI-IT. In the second data set the increase in protein identification rate was from 44% to 58%. AP-MALDI-IT MS/MS spectra were in general less effective than the MALDI-TOF spectra for protein identification, but the combination of the two methods clearly enhanced the confidence in protein identification.

  17. Design spectra development considering short time histories

    International Nuclear Information System (INIS)

    Weiner, E.O.

    1983-01-01

    Two separate programs, MODQKE and MDOF, were written to provide a capability of obtaining equipment spectra from design spectra. MODQKE generates or modifies acceleration histories to conform with design spectra pertaining to, say, a foundation. MDOF is a simple linear modal superposition program that solves for equipment support histories using the design spectra conforming histories as input. Equipment spectra, then, are obtained from the support histories using MODQKE. MODQKE was written to modify or provide new histories with special attention paid to short seismic records. A technique from the open literature was borrowed to generate an initial history that approximates a given response spectrum. Further refinement is done with smoothing cycles in which several correction signals are added to the history in a way that produces a least squares fit between actual and prescribed spectra. Provision is made for history shaping, a baseline correction, and final scaling. MODQKE performance has been demonstrated with seven examples having zero to ten percent damping ratios, and 2.5 seconds to 20 seconds durations and a variety of target spectra. The examples show the program is inexpensive to use. MDOF is a simple modal superposition program. It has no eigensolver, and the user supplies mode shapes, frequencies, and participation factors as input. Floor spectra can be generated from design spectra by using a history from MODQKE that conforms to the design spectrum as input to MDOF. Floor motions from MDOF can be fed back to MODQKE without modification to obtain the floor spectra. A simple example is given to show how equipment mass effects can be incorporated into the MDOF solution. Any transient solution capability can be used to replace MDOF. For example, a direct transient approach may be desirable if both the equipment and floor structures are to be included in the model with different damping fractions. (orig./HP)

  18. Application of PXAMS technique for 36Cl analysis in soil collected at Semipalatinsk Nuclear Test Site

    International Nuclear Information System (INIS)

    Tolmachyov, S.; Maeda, Y.; Mitarai, S.; Nakashima, T.; Momoshima, N.; Yamamoto, M.

    2001-01-01

    36 Cl in soil samples from the Semipalatinsk Nuclear Test Site (former USSR) was measured at Kyushu University Tandem Laboratory (KUTL) by accelerator mass spectrometry (AMS) coupled with projectile X-ray detection (PXD) technique. The separation of competing 36 S and 3 6Cl atomic isobars, was satisfactory by PXD technique. Measured 36 Cl/Cl atom ratio was (5.0 ± 0.6) x 10 -10 and an average activity of 36 Cl was calculated as (2.0 ± 0.2) mBq/g, which is in a good agreement with that obtained by liquid scintillation counting (LSC) method previously. Currently developed AMS system at the Kyushu University can be applied for routine 36 Cl analysis at 36 Cl/Cl = 10 -11 atom ratio level. (author)

  19. Vacuum ultraviolet photoabsorption spectroscopy of CH2Cl2 and CD2Cl2 in the energy region 50,000-95,000 cm-1

    Science.gov (United States)

    Mandal, Anuvab; Singh, Param Jeet; Shastri, Aparna; Jagatap, B. N.

    2014-12-01

    A consolidated study of the VUV absorption spectra of CH2Cl2 and CD2Cl2 in the 50,000-95,000 cm-1 region using synchrotron radiation is presented. Rydberg series and vibronic analysis are carried out and supported by quantum chemical calculations. The broad absorption band of CH2Cl2 in the region 50,000-60,000 cm-1 is attributed to the valence states 11B2, 11B1 and 11A1. Most of the bands in the 60,000-95,000 cm-1 region are fitted to Rydberg series of ns, np and nd type converging to the first four ionization potentials 11.320, 11.357, 12.152 and 12.271 eV of CH2Cl2 arising from excitation of an electron from one of the four outermost Cl non-bonding orbitals (2b1, 3b2, 1a2 and 4a1). Vertical excited states of CH2Cl2 calculated using TDDFT are correlated with experimentally observed electronic states based on the symmetries of the initial and final MOs involved in a transition. A few Rydberg transitions viz. 2b1→5s, 4p, 5p, 6p; 3b2→4p, 5p; 1a2→4p are accompanied by vibronic features. Observed vibronic bands are assigned mainly to the CCl symmetric stretch (ν3‧) mode with smaller contributions from the CH symmetric stretch (ν1‧), CH2 bend (ν2‧) and CH2 wag (ν8‧) modes. Assignments are corroborated by comparison with the VUV absorption spectrum of the deuterated isotopologue CD2Cl2, reported here for the first time. The high underlying intensities seen in several sub-regions are explained by valence or valence-Rydberg mixed type transitions predicted with high oscillator strengths by the TDDFT calculations.

  20. Synthesis and characterization of La(III), Pr(III), Nd(III), Sm(III), Eu(III), Gd(III), Tb(III) and Dy(III) complexes of 2-acetylfuran-2-thenoylhydrazone

    International Nuclear Information System (INIS)

    Singh, B.; Singh, Praveen K.

    1998-01-01

    The reaction of 2-acetylfuran-2-thenoylhydrazone(afth) with Ln(III) trichlorides yields complexes of the type [Ln(afth)Cl 2 (H 2 O)(EtOH)]Cl, [Ln(III) = La, Pr, Nd, Sm, Eu, Gd, Tb and Dy]. The complexes have been characterized by molar conductance, magnetic susceptibility and TGA and DTA measurements, magnetic susceptibility and TGA and DTA measurements, FAB mass, infrared, proton NMR, electronic absorption and emission spectra. The terbium complex is found to be monomer from the FAB mass spectrum. The IR and NMR spectra suggest neutral tridentate behaviour of the Schiff base. A coordination number seven is proposed around the metal ions. Emission spectra suggest C 3v , symmetry around the metal ion with capped octahedron geometry for the europium complex. (author)

  1. Determination of the equilibrium constant of FeZrCl6 formation from FeCl3 and ZrCl4

    International Nuclear Information System (INIS)

    Berdonosov, S.S.; Kharisov, B.I.; Nikitin, M.I.

    1992-01-01

    Equilibrium pressures of chlorine formed in the course of reaction FeCl 3 +ZrCl 4 ↔ FeZrCl 6 +0.5 Cl 2 were determined at the temperatures of 250-325 deg C. The values of equilibrium constant K p of the reaction mentioned at the temperatures of 250, 275, 300 and 325 deg were calculated, taking into consideration the determined values of p Cl2 and literature data on equilibrium pressures of ZrCl 4 and FeCl 3 vapours

  2. Activation measurements for thermal neutrons. Part F. 36Cl measurements in Japan

    International Nuclear Information System (INIS)

    Nagashima, Yasuo; Seki, Riki; Matsuhiro, Takeshi; Takahashi, Tsutomu; Sasa, Kimikazu; Usui, Toshihide; Sueki, Keisuke

    2005-01-01

    The development of the accelerator mass spectrometry (AMS) system at the Tandem Accelerator Center of the University of Tsukuba was started in 1995, using the university's own molecular pilot beam technique. Presently, it is the only facility in Japan used to measure 36 Cl (Nagashima et al. 2000). The sensitivity of the 36 Cl AMS system is around 10 -14 36 Cl/Cl atom ratio, which is enough to measure the natural level of the 36 Cl/Cl ratio. The system is characterized by long-term stability, enabling high-quality, continuous measurements over many hours. Our AMS system was used to measure 36 Cl produced in soil by neutrons released into the environment at the time of the JCO criticality accident in Tokai-mura in 1999 (Seki et al. 2003). At the beginning of 2001, our group joined the collaborative efforts to investigate and clarify the discrepancy observed between measurements and calculations of neutron activities induced by the atomic bombings in Hiroshima and Nagasaki. Using our AMS system, 36 Cl was measured in granite samples from Hiroshima exposed to atomic-bomb neutrons and in distant, unexposed samples. (author)

  3. Nuclear Neutrino Spectra in Late Stellar Evolution

    Science.gov (United States)

    Misch, G. Wendell; Sun, Yang; Fuller, George

    2018-05-01

    Neutrinos are the principle carriers of energy in massive stars, beginning from core carbon burning and continuing through core collapse and after the core bounce. In fact, it may be possible to detect neutrinos from nearby pre-supernova stars. Therefore, it is of great interest to understand the neutrino energy spectra from these stars. Leading up to core collapse, beginning around core silicon burning, nuclei become dominant producers of neutrinos, particularly at high neutrino energy, so a systematic study of nuclear neutrino spectra is desirable. We have done such a study, and we present our sd-shell model calculations of nuclear neutrino energy spectra for nuclei in the mass number range A = 21 - 35. Our study includes neutrinos produced by charged lepton capture, charged lepton emission, and neutral current nuclear deexcitation. Previous authors have tabulated the rates of charged current nuclear weak interactions in astrophysical conditions, but the present work expands on this not only by providing neutrino energy spectra, but also by including the heretofore untabulated neutral current de-excitation neutrino pairs.

  4. Uncertainty analysis in Titan ionospheric simulated ion mass spectra: unveiling a set of issues for models accuracy improvement

    Science.gov (United States)

    Hébrard, Eric; Carrasco, Nathalie; Dobrijevic, Michel; Pernot, Pascal

    Ion Neutral Mass Spectrometer (INMS) aboard Cassini revealed a rich coupled ion-neutral chemistry in the ionosphere, producing heavy hydrocarbons and nitriles ions. The modeling of such a complex environment is challenging, as it requires a detailed and accurate description of the different relevant processes such as photodissociation cross sections and neutral-neutral reaction rates on one hand, and ionisation cross sections, ion-molecule and recombination reaction rates on the other hand. Underpinning models calculations, each of these processes is parameterized by kinetic constants which, when known, have been studied experimentally and/or theoretically over a range of temperatures and pressures that are most often not representative of Titan's atmosphere. The sizeable experimental and theoretical uncertainties reported in the literature merge therefore with the uncertainties resulting subsequently from the unavoidable estimations or extrapolations to Titan's atmosphere conditions. Such large overall uncertainties have to be accounted for in all resulting inferences most of all to evaluate the quality of the model definition. We have undertaken a systematic study of the uncertainty sources in the simulation of ion mass spectra as recorded by Cassini/INMS in Titan ionosphere during the T5 flyby at 1200 km. Our simulated spectra seem much less affected by the uncertainties on ion-molecule reactions than on neutral-neutral reactions. Photochemical models of Titan's atmosphere are indeed so poorly predictive at high altitudes, in the sense that their computed predictions display such large uncertainties, that we found them to give rise to bimodal and hypersensitive abundance distributions for some major compounds like acetylene C2 H2 and ethylene C2 H4 . We will show to what extent global uncertainty and sensitivity analysis enabled us to identify the causes of this bimodality and to pinpoint the key processes that mostly contribute to limit the accuracy of the

  5. Quality evaluation of tandem mass spectral libraries.

    Science.gov (United States)

    Oberacher, Herbert; Weinmann, Wolfgang; Dresen, Sebastian

    2011-06-01

    Tandem mass spectral libraries are gaining more and more importance for the identification of unknowns in different fields of research, including metabolomics, forensics, toxicology, and environmental analysis. Particularly, the recent invention of reliable, robust, and transferable libraries has increased the general acceptance of these tools. Herein, we report on results obtained from thorough evaluation of the match reliabilities of two tandem mass spectral libraries: the MSforID library established by the Oberacher group in Innsbruck and the Weinmann library established by the Weinmann group in Freiburg. Three different experiments were performed: (1) Spectra of the libraries were searched against their corresponding library after excluding either this single compound-specific spectrum or all compound-specific spectra prior to searching; (2) the libraries were searched against each other using either library as reference set or sample set; (3) spectra acquired on different mass spectrometric instruments were matched to both libraries. Almost 13,000 tandem mass spectra were included in this study. The MSforID search algorithm was used for spectral matching. Statistical evaluation of the library search results revealed that principally both libraries enable the sensitive and specific identification of compounds. Due to higher mass accuracy of the QqTOF compared with the QTrap instrument, matches to the MSforID library were more reliable when comparing spectra with both libraries. Furthermore, only the MSforID library was shown to be efficiently transferable to different kinds of tandem mass spectrometers, including "tandem-in-time" instruments; this is due to the coverage of a large range of different collision energy settings-including the very low range-which is an outstanding characteristics of the MSforID library.

  6. Multi photon ionization mass spectrometry of carbamate pesticides, herbicides and fungicides

    International Nuclear Information System (INIS)

    Grun, Carsten; Koenig, Marcelle; Grotemeyer, Juergen

    2001-01-01

    Pesticides and herbicides are useful for a wide range of applications today. The determination of these substances either in the pure form or in complex matrices is of high analytical interest. Especially since these substances can by found in every day products. The combination of multi photon ionization (MUPI) and time of flight laser mass spectrometry may be a powerful tool for achieving fast well interpretable mass spectra for analytical purposes. In this paper we will discuss the mass spectra of several pesticides and herbicides accessed by MUPI-time-of-flight mass spectrometry. The influence of the laser pulse duration on the mass spectra are discussed

  7. Transverse and Longitudinal Doppler Effects of the Sunbeam Spectra and Earth-Self Rotation and Orbital Velocities, the Mass of the Sun and Others

    OpenAIRE

    Nam, Sang Boo

    2009-01-01

    The transverse and longitudinal Doppler effects of the sunbeam spectra are shown to result in the earth parameters such as the earth-self rotation and revolution velocities, the earth orbit semi-major axis, the earth orbital angular momentum, the earth axial tilt, the earth orbit eccentricity, the local latitude and the mass of the sun. The sunbeam global positioning scheme is realized, including the earth orbital position. PACS numbers: 91.10.Fc, 95.10.Km, 91.10.Da, 91.10.Jf.

  8. Cathodoluminescence (CL Characteristics of Quartz from Different Metamorphic Rocks within the Kaoko Belt (Namibia

    Directory of Open Access Journals (Sweden)

    Jonathan Sittner

    2018-05-01

    Full Text Available Quartz of metamorphic rocks from the Kaoko belt (Namibia representing metamorphic zones from greenshist to granulite facies were investigated by cathodoluminescence (CL microscopy and spectroscopy to characterize their CL properties. The samples cover P-T conditions from the garnet zone (500 ± 30 °C, 9 ± 1 kbar up to the garnet-cordierite-sillimanite-K-feldspar zone (750 ± 30 °C, 4.0–5.5 kbar. Quartz from 10 different localities and metamorphic environments exclusively exhibits blue CL. The observed CL colors and spectra seem to be more or less independent of the metamorphic grade of the host rocks, but are determined by the regional geological conditions. Quartz from different localities of the garnet-cordierite-sillimanite-K-feldspar zone shows a dominant 450 nm emission band similar to quartz from igneous rocks, which might be related to recrystallization processes. In contrast, quartz from different metamorphic zones in the western part of the central Kaoko zone (garnet, staurolite, kyanite, and kyanite-sillimanite-muscovite zone is characterized by a heterogeneous blue-green CL and a dominant 500 nm emission band that strongly decreases in intensity under electron irradiation. Such CL characteristics are typical for quartz of pegmatitic and/or hydrothermal origin and indicate the participation of fluids during neoformation of quartz during metamorphism.

  9. Description of width and spectra of two relativistic fermions bound states

    International Nuclear Information System (INIS)

    Sidorov, A.V.; Skachkov, N.B.

    1979-01-01

    The formalism for relativistic description of two particles with spin 1/2 is constructed. Used is the two-particle three-dimensional equation, obtained by quasipotential approach. Quasipotential equation in the relativistic configurational space with OBEP potential is reduced to the system of partial equations which is the analog of nonrelativistic Hamada-Jonston system. WKB approach is used to calculate mass spectra and leptonic width of mesons in quark model. The results of the study can be applied to the calculation of mass spectra and widths of electromagnetic decays of systems of e + e - , μ + μ - , c anti c, b anti b, N anti N type

  10. CHARGE-TRANSFER SATELLITES AND MULTIPLET SPLITTING IN X-RAY PHOTOEMISSION SPECTRA OF LATE TRANSITION-METAL HALIDES

    NARCIS (Netherlands)

    OKADA, K; KOTANI, A; THOLE, BT

    1992-01-01

    Core-level X-ray photoemission spectra (XPS) are calculated for Ni and Co dihalides with an MX6 cluster model (M = Ni, Co; X = F, Cl, Br), where intra-atomic multiplet coupling as well as covalency mixing is taken into account. The effects of the intra-atomic configuration interaction between

  11. Chemometric and multivariate statistical analysis of time-of-flight secondary ion mass spectrometry spectra from complex Cu-Fe sulfides.

    Science.gov (United States)

    Kalegowda, Yogesh; Harmer, Sarah L

    2012-03-20

    Time-of-flight secondary ion mass spectrometry (TOF-SIMS) spectra of mineral samples are complex, comprised of large mass ranges and many peaks. Consequently, characterization and classification analysis of these systems is challenging. In this study, different chemometric and statistical data evaluation methods, based on monolayer sensitive TOF-SIMS data, have been tested for the characterization and classification of copper-iron sulfide minerals (chalcopyrite, chalcocite, bornite, and pyrite) at different flotation pulp conditions (feed, conditioned feed, and Eh modified). The complex mass spectral data sets were analyzed using the following chemometric and statistical techniques: principal component analysis (PCA); principal component-discriminant functional analysis (PC-DFA); soft independent modeling of class analogy (SIMCA); and k-Nearest Neighbor (k-NN) classification. PCA was found to be an important first step in multivariate analysis, providing insight into both the relative grouping of samples and the elemental/molecular basis for those groupings. For samples exposed to oxidative conditions (at Eh ~430 mV), each technique (PCA, PC-DFA, SIMCA, and k-NN) was found to produce excellent classification. For samples at reductive conditions (at Eh ~ -200 mV SHE), k-NN and SIMCA produced the most accurate classification. Phase identification of particles that contain the same elements but a different crystal structure in a mixed multimetal mineral system has been achieved.

  12. Electrolytic coloration of O22--doped NaCl crystals

    International Nuclear Information System (INIS)

    Qin Fang; Gu Hongen; Song Cuiying; Wang Na; Guo Meili; Wang Fen; Liu Jia

    2007-01-01

    O 2 2- -doped NaCl crystals are colored electrolytically by using a pointed cathode and a flat anode at various temperatures and voltages, which mainly benefit from appropriate coloration temperatures and voltages as well as anode structure of used electrolysis apparatus. Characteristic OH - , U, V 2 m , U A , V 2 , V 3 , O 2- -V a + complex, F, R 1 , R 2 and M absorption bands are observed in absorption spectra of the colored crystals. Production and conversion of color centers in electrolytic coloration is explained. Current-time curves for electrolytic colorations and their relationships with electrolytic colorations were given

  13. Synthesis and characterizations of AgSCN nanospheres using AgCl as the precursor

    International Nuclear Information System (INIS)

    Yang Ming; Ma Jing

    2009-01-01

    Nanospheres of AgSCN with an average radius of 30-80 nm have been prepared by a simple reaction between AgCl suspension and KSCN in the presence of gelatin. Gelatin played a decisive role as an inhibitor of the direct attack of SCN - ions to AgCl surfaces and coagulation of the growing AgSCN in producing the spherical AgSCN nanoparticles. The products were characterized by X-ray powder diffraction, transmission electron microscopy and X-ray photoelectron spectra techniques. The electrical conductivity of thin films of as-prepared AgSCN nanoparticles and polyethylene oxide (PEO) at room temperature was measured. The maximum value of electrical conductivity of as-prepared AgSCN-PEO was 1.53 x 10 -5 S cm -1 .

  14. Spectrophotometric study of closed-tube chemical transport of vanadium oxides with TeCl/sub 4/

    Energy Technology Data Exchange (ETDEWEB)

    Ohtani, T; Yamaoka, T; Shimamura, K

    1986-06-01

    The in situ observations of the gaseous species in the closed-tube chemical transport systems, V/sub 2/O/sub 3/-TeCl/sub 4/, V/sub 5/O/sub 9/-TeCl/sub 4/, VO/sub 2/-TeCl/sub 4/, V/sub 6/O/sub 13/-TeCl/sub 4/, and V/sub 2/O/sub 5/-TeCl/sub 4/ were made by using an UV and VIS spectrophotometer which was improved for the high-temperature measurements. The measurements showed that a great majority of gaseous species in the transport tube is VOCl/sub 3/ for all the systems, which is in agreement with the earlier result of the mass spectrometry on the VO/sub 2/-TeCl/sub 4/ system.

  15. Structural incorporation of MgCl2 into ice VII at room temperature

    Science.gov (United States)

    Watanabe, Mao; Komatsu, Kazuki; Noritake, Fumiya; Kagi, Hiroyuki

    2017-05-01

    Raman spectra and X-ray diffraction patterns were obtained from 1:100 and 1:200 \\text{MgCl}2:\\text{H}2\\text{O} solutions (in molar ratio) at pressures up to 6 GPa using diamond anvil cells (DACs) and compared with those of pure water. The O-H stretching band from ice VII crystallized from the 1:200 solution was approximately 10 cm-1 higher than that of pure ice VII. The phase boundaries between ice VII and VIII crystallized from the MgCl2 solutions at 4 GPa were 2 K lower than those of pure ice VII and VIII. These observations indicate that ice VII incorporates MgCl2 into its structure. The unit cell volumes of ice VII crystallized from pure water and the two solutions coincided with each other within the experimental error, and salt incorporation was not detectable from the cell volume. Possible configurations of ion substitution and excess volume of ice VIII were simulated on the basis of density functional theory (DFT) calculations.

  16. Exogenous proline relieves growth inhibition caused by NaCl in petunia cells: Metabolism of L-[15M]-proline followed by 15N NMR

    International Nuclear Information System (INIS)

    Heyser, J.W.; Chacon, M.J.

    1989-01-01

    Exogenous proline stimulated the growth of Petunia hybrida cells on 195 mM NaCl 10-fold as compared with cells grown on 195 mM CaCl medium minus proline. L-[ 15 N]-proline was fed to cells growing on 0 and 195 mM CaCl, and its metabolism was followed by 15 N NMR analysis of cell extracts. Total proline and amino acids were determined by ninhydrin assay. Proline and primary amino acids were easily resolved in NMR spectra and the amount of 15 N-label which remained in proline was determined. Reduced catabolism of proline in cells grown on NaCl was evident. The role of exogenous proline in conferring increased NaCl tolerance in this nonhalophyte will be discussed

  17. Use of mass spectrometry for study of coordination compounds

    International Nuclear Information System (INIS)

    Gehrbehlehu, N.V.; Indrichan, K.M.

    1981-01-01

    A review on mass-spectrometry of coordination compounds including the works published up to 1979 inclusive is provided. Mainly the products of metals with bi- and tetradentate ligands are considered using the method. Mo and Be carboxylates for which molecular ions lines are found in mass-spectra are studied. The study of mass-spectra for VO chelates with thiosemicarbazone of salicyl aldehyde is carried out. Application of the mass-spectrometry method permits to establish the mass of coordination compounds, the structure of complexes, dentate structure and the way of ligand coordination, the bond strength [ru

  18. Compound-Specific Chlorine Isotope Analysis of Tetrachloromethane and Trichloromethane by Gas Chromatography-Isotope Ratio Mass Spectrometry vs Gas Chromatography-Quadrupole Mass Spectrometry: Method Development and Evaluation of Precision and Trueness.

    Science.gov (United States)

    Heckel, Benjamin; Rodríguez-Fernández, Diana; Torrentó, Clara; Meyer, Armin; Palau, Jordi; Domènech, Cristina; Rosell, Mònica; Soler, Albert; Hunkeler, Daniel; Elsner, Martin

    2017-03-21

    Compound-specific chlorine isotope analysis of tetrachloromethane (CCl 4 ) and trichloromethane (CHCl 3 ) was explored by both, gas chromatography-isotope ratio mass spectrometry (GC-IRMS) and GC-quadrupole MS (GC-qMS), where GC-qMS was validated in an interlaboratory comparison between Munich and Neuchâtel with the same type of commercial GC-qMS instrument. GC-IRMS measurements analyzed CCl isotopologue ions, whereas GC-qMS analyzed the isotopologue ions CCl 3 , CCl 2 , CCl (of CCl 4 ) and CHCl 3 , CHCl 2 , CHCl (of CHCl 3 ), respectively. Lowest amount dependence (good linearity) was obtained (i) in H-containing fragment ions where interference of 35 Cl- to 37 Cl-containing ions was avoided; (ii) with tuning parameters favoring one predominant rather than multiple fragment ions in the mass spectra. Optimized GC-qMS parameters (dwell time 70 ms, 2 most abundant ions) resulted in standard deviations of 0.2‰ (CHCl 3 ) and 0.4‰ (CCl 4 ), which are only about twice as large as 0.1‰ and 0.2‰ for GC-IRMS. To compare also the trueness of both methods and laboratories, samples from CCl 4 and CHCl 3 degradation experiments were analyzed and calibrated against isotopically different reference standards for both CCl 4 and CHCl 3 (two of each). Excellent agreement confirms that true results can be obtained by both methods provided that a consistent set of isotopically characterized reference materials is used.

  19. Effect of NaCl and KCl on irradiated diploid yeast cells

    International Nuclear Information System (INIS)

    Amirtaev, K.G.; Lobachevskij, P.N.; Lyu Gvan Son

    1984-01-01

    Irradiated dipload yeast Saccharomyces cerevisiae kept in NaCl and KCl solutions died more readily than nonirradiated cells: the death rate was a functaon of radiation Jose and temperature of exposure. It was suggested that the radiation-induced injury to mass cell structures was responsible for the death rate. It was shown that the postirradiataon recovery of cells from radiation damages proceeded in KCl solution two-three times slower than mn water, and it was inhibited completely in NaCl solution

  20. Simultaneous fit of the spectra of light and heavy self-conjugate mesons

    International Nuclear Information System (INIS)

    Jena, S.N.

    1983-01-01

    It is shown that a simultaneous nonrelativistic fit of the spectra of both the light and heavy self-conjugate mesons is possible by an effective non-Coulombic power-law potential of the form V(r) = Ar/sup 0.1/+V 0 . This purely phenomenological potential is found to provide a very good account of the mass spectra and the leptonic decay widths of the rho 0 , theta, psi, and UPSILON systems in a flavor-independent manner. In spite of the smallness of the constituent quark masses involved, the nonrelativistic fit for the light mesons of rho 0 and theta systems is excellent

  1. Use of thermodynamic calculation for investigating phase diagram of the ternary system NaCl-PbCl2-NdCl3

    International Nuclear Information System (INIS)

    Kostygov, V.I.; Potemin, S.S.

    1984-01-01

    Thermodynamic calculation of meltability diagram of ternary system NaCl-PbCl 2 -NdCl 3 with the use of literature and experimental data on meltability diagrams of binary systems forming it, as well as data on crystallization heats of the components, has been carried out. Equations are derived under condition of pseudoperfection of the ternary system. 64 mol.% PbCl 2 , 26 mol.% NaCl, 10 mol.% NdCl 3 and average temperature of crystallization 391 deg C correspond to the calculated composition of the ternary eutectics, 49 mol.% PbCl 2 , 35 mol.% NaCl, 16 mol.% NdCl 3 and average temperature of peritectic transformation 416 deg C - to the composition of the ternary peritectic. The results obtained agree well with the experimental data

  2. Impact ionisation mass spectrometry of polypyrrole-coated pyrrhotite microparticles

    Science.gov (United States)

    Hillier, Jon K.; Sternovsky, Zoltan; Armes, Steven P.; Fielding, Lee A.; Postberg, Frank; Bugiel, Sebastian; Drake, Keith; Srama, Ralf; Kearsley, Anton T.; Trieloff, Mario

    2014-07-01

    Cation and anion impact ionization mass spectra of polypyrrole-coated pyrrhotite cosmic dust analogue particles are analysed over a range of cosmically relevant impact speeds. Spectra with mass resolutions of 150-300 were generated by hypervelocity impacts of charged particles, accelerated to up to 37 km s-1 in a Van de Graaff electrostatic accelerator, onto a silver target plate in the Large Area Mass Analyzer (LAMA) spectrometer. Ions clearly indicative of the polypyrrole overlayer are identified at masses of 93, 105, 117, 128 and 141 u. Organic species, predominantly derived from the thin (20 nm) polypyrrole layer on the surface of the particles, dominate the anion spectra even at high (>20 km s-1) impact velocities and contribute significantly to the cation spectra at velocities lower than this. Atomic species from the pyrrhotite core (Fe and S) are visible in all spectra at impact velocities above 6 km s-1 for 56Fe+, 9 km s-1 for 32S+ and 16 km s-1 for 32S- ions. Species from the pyrrhotite core are also frequently visible in cation spectra at impact speeds at which surface ionisation is believed to dominate (Silver was confirmed as an excellent choice for the target plate of an impact ionization mass spectrometer, as it provided a unique isotope signature for many target-projectile cluster peaks at masses above 107-109 u. The affinity of Ag towards a dominant organic fragment ion (CN-) derived from fragmentation of the polypyrrole component led to molecular cluster formation. This resulted in an enhanced sensitivity to a particular particle component, which may be of great use when investigating astrobiologically relevant chemicals, such as amino acids.

  3. 36Cl production and mobility in the Cigar Lake uranium deposit

    International Nuclear Information System (INIS)

    Cornett, R.J.; Fabryka-Martin, J.; Cramer, J.J.; Andrew, H.R.; Koslowsky, V.T.

    2010-01-01

    Can accelerator mass spectrometry (AMS) studies validate risk assessments of the long-term behaviour of contaminants such as radionuclides? AMS measurements on samples from the 1.3 billion-year-old Cigar Lake uranium ore deposit provide one approach to address this question. In Cigar Lake, elevated concentrations of uranium enhance the in situ neutron flux that produces 36 Cl and other radionuclides. We calculated the production of 36 Cl using a Monte Carlo neutron transport code. We then tested for the loss of 36 Cl from ore samples collected from an 8 m stratigraphic section through the deposit by comparing the predicted values (assuming equilibrium between production and decay) with the concentrations measured by AMS. The 36 Cl:Cl atom ratios within the ore were more than two orders of magnitude higher than in the surrounding host rock and ranged from 4 to 64 x 10 -12 . The 36 Cl concentrations in the ore, rock, clay and fracture infilling minerals all agree with the values predicted by the Monte Carlo simulations. We conclude that 36 Cl has very limited mobility. Even in matrix adjacent to more permeable fractures, there is no evidence that the measured isotopic ratios deviate significantly from the predicted values.

  4. Activation measurements for thermal neutrons. Part D. 36Cl measurements in the United States

    International Nuclear Information System (INIS)

    Straume, Tore; Men, Ping; Marchetti, Alfredo A.; Egbert, Stephen D.; Roberts, James A.; Fujita, Shoichiro; Shizuma, Kiyoshi; Hoshi, Masaharu

    2005-01-01

    A large number of measurements were performed in the United States of 36 Cl in both granite and concrete samples obtained from various locations and distances in Hiroshima and Nagasaki. These measurements employed accelerator mass spectrometry (AMS) to quantify the number of atoms of 36 Cl per atom of total Cl in the sample. Results of these measurements are presented in this section and discussed in the context of the DS02 dosimetry reevaluation effort for Hiroshima and Nagasaki atomic-bomb survivors. (J.P.N.)

  5. GeSn growth kinetics in reduced pressure chemical vapor deposition from Ge2H6 and SnCl4

    Science.gov (United States)

    Aubin, J.; Hartmann, J. M.

    2018-01-01

    We have investigated the low temperature epitaxy of high Sn content GeSn alloys in a 200 mm industrial Reduced Pressure - Chemical Vapor Deposition tool from Applied Materials. Gaseous digermane (Ge2H6) and liquid tin tetrachloride (SnCl4) were used as the Ge and Sn precursors, respectively. The impact of temperature (in the 300-350 °C range), Ge2H6 and SnCl4 mass-flows on the GeSn growth kinetics at 100 Torr has been thoroughly explored. Be it at 300 °C or 325 °C, a linear GeSn growth rate increase together with a sub-linear Sn concentration increase occurred as the SnCl4 mass-flow increased, irrespective of the Ge2H6 mass flow (fixed or varying). The Sn atoms seemed to catalyze H desorption from the surface, resulting in higher GeSn growth rates for high SnCl4 mass-flows (in the 4-21 nm min-1 range). The evolution of the Sn content x with the F (SnCl4) 2 ·/F (Ge2H6) mass-flow ratio was fitted by x2/(1 - x) = n ·F (SnCl4) 2 ·/F (Ge2H6), with n = 0.25 (325 °C) and 0.60 (300 °C). We have otherwise studied the impact of temperature, in the 300-350 °C range, on the GeSn growth kinetics. The GeSn growth rate exponentially increased with the temperature, from 15 up to 32 nm min-1. The associated activation energy was low, i.e. Ea = 10 kcal mol-1. Meanwhile, the Sn content decreased linearly as the growth temperature increased, from 15% at 300 °C down to 6% at 350 °C.

  6. Nano-spatial parameters from 3D to 2D lattice dimensionality by organic variant in [ZnCl4]- [R]+ hybrid materials: Structure, architecture-lattice dimensionality, microscopy, optical Eg and PL correlations

    Science.gov (United States)

    Kumar, Ajit; Verma, Sanjay K.; Alvi, P. A.; Jasrotia, Dinesh

    2016-04-01

    The nanospatial morphological features of [ZnCl]- [C5H4NCH3]+ hybrid derivative depicts 28 nm granular size and 3D spreader shape packing pattern as analyzed by FESEM and single crystal XRD structural studies. The organic moiety connect the inorganic components through N-H+…Cl- hydrogen bond to form a hybrid composite, the replacement of organic derivatives from 2-methylpyridine to 2-Amino-5-choloropyridine results the increase in granular size from 28nm to 60nm and unit cell packing pattern from 3D-2D lattice dimensionality along ac plane. The change in optical energy direct band gap value from 3.01eV for [ZnCl]- [C5H4NCH3]+ (HM1) to 3.42eV for [ZnCl]- [C5H5ClN2]+ (HM2) indicates the role of organic moiety in optical properties of hybrid materials. The photoluminescence emission spectra is observed in the wavelength range of 370 to 600 nm with maximum peak intensity of 9.66a.u. at 438 nm for (HM1) and 370 to 600 nm with max peak intensity of 9.91 a.u. at 442 nm for (HM2), indicating that the emission spectra lies in visible range. PL excitation spectra depicts the maximum excitation intensity [9.8] at 245.5 nm for (HM1) and its value of 9.9 a.u. at 294 nm, specify the excitation spectra lies in UV range. Photoluminescence excitation spectra is observed in the wavelength range of 280 to 350 nm with maximum peak intensity of 9.4 a.u. at 285.5 nm and 9.9 a.u. at 294 and 297 nm, indicating excitation in the UV spectrum. Single crystal growth process and detailed physiochemical characterization such as XRD, FESEM image analysis photoluminescence property reveals the structure stability with non-covalent interactions, lattice dimensionality (3D-2D) correlations interweaving into the design of inorganic-organic hybrid materials.

  7. Search for the 36Cl isotope in natural samples by cyclotron or tandem accelerators

    International Nuclear Information System (INIS)

    Brissaud, I.; Kalifa, J.; Laurnet, H.

    1981-01-01

    Because of the Half-life of 36 Cl (305.000 years), the measurement of the concentration of 36 Cl/Cl in natural samples is essential to the dating of very old ground waters. Thus, this measurement can provide an unique tool in fundamental research (such as knowledge of slow ground water movements) or in applied research (such as the evaluation of fossil water natural resources... etc...). We are more especially involved in age determination of groundwaters from confined aquifers in regions with presently arid or semi-arid climates where deep aquifers were recharged during post pluvial episodes. Accelerators as mass spectrometers have been used for approximately three years for the detection of different isotopes and especially 36 Cl. As a first step our group has tried to evaluate the possibilities of different accelerators by measuring the concentration 36 Cl/Cl of different samples prepared artificially. Then, we have begun to measure the 36 Cl presence in Sahara ground water samples

  8. Distribution of the ligand field at the Fe2+ ion in frozen aqueous solutions of Fe(ClO4)2

    International Nuclear Information System (INIS)

    Nagy, D.L.; Horvath, D.; Szuecs, I.S.; Spiering, H.

    1981-01-01

    Moessbauer spectra of eutectic frozen aqueous solutions of Fe(ClO 4 ) 2 have been measured at 4.2 K in applied longitudinal magnetic fields up to 5 T. The spectra are interpreted in terms of a model accounting for the random distribution of the ligand field at the Fe 2+ ion owing to the amorphity of the environment. The equilibrium state of the Fe(H 2 O) 6 2+ complex is determined by a static Jahn-Teller calculation. The main features of all spectra can be well reproduced by choosing Esub(JT)(tau)=140 cm -1 and ωsub(tau)=150 cm -1 . (author)

  9. Configuration interaction in LTE spectra of heavy elements

    International Nuclear Information System (INIS)

    Bar-Shalom, A.; Oreg, J.; Goldstein, W.

    1992-11-01

    We present a method for including the effects of configuration interaction (CI) between relativistic subconfigurations of an electron configuration in the calculation of emission and absorption spectra of plasmas in local thermodynamic equilibrium (LTE). Analytical expressions for the correction to the intensities, owing to Cl, of an unresolved transition array (UTA) and of a supertransition array (STA) are obtained when the correction is small compared to the spin-orbit splitting, bypassing the need to diagonalize energy matrices. These expressions serve as working formulas in the STA model and, in addition, reveal a priori the conditions under which CI effects are significant. Examples of the effect are presented

  10. Mass Spectrometry for Large Undergraduate Laboratory Sections

    Science.gov (United States)

    Illies, A.; Shevlin, P. B.; Childers, G.; Peschke, M.; Tsai, J.

    1995-08-01

    Mass spectrometry is routinely covered in undergraduate organic chemistry courses and a number of valuable laboratory experiments featuring its use have been discussed (1-7). Although such experiments work well at institutions with limited laboratory enrollments, we typically teach laboratories with enrollments of 160 or more in which it is difficult to allow each student to carry out a meaningful "hands on" mass spectrometry experiment. Since we feel that some practical experience with this technique is important, we have designed a simple gas chromatography-mass spectrometry (gc/ms) exercise that allows each student to analyze the products of a simple synthesis that they have performed. The exercise starts with the microscale SN2 synthesis of 1-bromobutane from 1-butanol as described by Williamson (8). The students complete the synthesis and place one drop of the distilled product in a screw capped vial. The vials are then sealed, labeled with the students name and taken to the mass spectrometry laboratory by a teaching assistant. Students are instructed to sign up for a 20-min block of time over the next few days in order to analyze their sample. When the student arrives at the laboratory, he or she adds 1 ml CH2Cl2 to the sample and injects 0.3 microliters of the solution into the gas chromatograph. The samples typically contain the 1-butanol starting material and the 1-bromobutane product along with traces of dibutyl ether. The figure shows a mass chromatogram along with the mass spectra of the starting material and product from an actual student run. For this analysis to be applicable to large numbers of students, the gc separation must be as rapid as possible. We have been able to analyze each sample in 6 minutes on a 30 m DB-5 capillary column with the following temperature program: 70 oC for 1 min, 70-80 oC at 10 oC/min, 86-140 oC at 67.5 oC/min, 140-210 oC at 70 oC/min, and 210 oC for 1 min. A mass range of 20-200 amu is scanned with a solvent delay of 2

  11. Electron-capture negative-ion mass spectrometry: a technique for environmental contaminant identification

    International Nuclear Information System (INIS)

    Stemmler, E.A.

    1986-01-01

    Electron capture negative ion mass spectrometry (ECNIMS) is a method used to generate negative ions in a mass spectrometer by electron-molecule reactions. This technique facilitates the sensitive and selective detection of many toxic contaminants in environmental samples. Applications of this technique have been hindered by the limited understanding of instrumental parameters, by the questionable reproducibility of negative ion mass spectra, and by the inability to interpret negative ion mass spectra. Instrumental parameters which were important to control include the ion source temperature, ion source pressure, sample concentration, and the focus lens potential. The ability to obtain reproducible spectra was demonstrated by measurement of the spectrum of decafluorotriphenylphosphine (DFTPP) over a period of one year. Negative ion fragmentation mechanisms were studied by measuring the spectra of structurally related classes of compounds and isotopically labelled compounds. These results were combined with data obtained by other researchers. Fragmentations characteristic of particular functional groups or molecular structures have been summarized. From this data set, guidelines for the interpretation of electron capture negative ion mass spectra have been developed

  12. FT-IR reflection spectra of single crystals: resolving phonons of different symmetry without using polarised radiation

    Directory of Open Access Journals (Sweden)

    METODIJA NAJDOSKI

    2000-07-01

    Full Text Available Fourier-transform infrared (FT-IR reflection spectra, asquired at nearnormal incidence, were recorded from single crystals belonging to six crystal systems: CsCr(SO42.12H2O (alum, cubic, K2CuCl2·2H2O (Mitscherlichite, tetragonal, CaCO3 (calcite, hexagonal, KHSO4 (mercallite, orthorhombic, CaSO4·2H2O (gypsum, monoclinic and CuSO4·5H2O (chalcantite, triclinic. The acquired IR reflection spectra were further transformed into absorption spectra, employing the Kramers-Kronig transformation. Except for the cubic alums, the spectra strongly depend on the crystal face from which they were recorded; this is a consequence of anisotropy. Phonons of a given symmetry (E-species, in tetragonal/hexagonal and B-species, in monoclinic crystals may be resolved without using a polariser. The spectrum may be simplified in the case of an orthorhombic crystal, as well. The longitudinal-optical (LO and transversal-optical (TO mode frequencies were calculated in the case of optically isotropic and the simplified spectra of optically uniaxial crystals.

  13. Electric conductivity of PCl5-ZrCl4, PCl5-TaCl5, and PCl5-MoCl5 molten mixtures

    International Nuclear Information System (INIS)

    Salyulev, A.B.; Red'kin, A.A.; Moskalenko, N.I.

    1997-01-01

    When mixing individual molecular melts of PCl 5 with ZrCl 4 , TaCl 5 or with MoCl 5 , an essential (by several orders) increase in electric conductivity (up to 0.02-0.1 Ohm -1 ·cm -1 ), which stems, in all probability, from the appearance of complex ions PCl 4 + , ZrCl 5 - , ZrCl 6 2- , TaCl 5 - and MoCl 6 - in the molten mixtures as a result of chemical interaction

  14. 20 years of ClO measurements in the Antarctic lower stratosphere

    Science.gov (United States)

    Nedoluha, Gerald E.; Connor, Brian J.; Mooney, Thomas; Barrett, James W.; Parrish, Alan; Gomez, R. Michael; Boyd, Ian; Allen, Douglas R.; Kotkamp, Michael; Kremser, Stefanie; Deshler, Terry; Newman, Paul; Santee, Michelle L.

    2016-08-01

    We present 20 years (1996-2015) of austral springtime measurements of chlorine monoxide (ClO) over Antarctica from the Chlorine Oxide Experiment (ChlOE1) ground-based millimeter wave spectrometer at Scott Base, Antarctica, as well 12 years (2004-2015) of ClO measurements from the Aura Microwave Limb Sounder (MLS). From August onwards we observe a strong increase in lower stratospheric ClO, with a peak column amount usually occurring in early September. From mid-September onwards we observe a strong decrease in ClO. In order to study interannual differences, we focus on a 3-week period from 28 August to 17 September for each year and compare the average column ClO anomalies. These column ClO anomalies are shown to be highly correlated with the average ozone mass deficit for September and October of each year. We also show that anomalies in column ClO are strongly anti-correlated with 30 hPa temperature anomalies, both on a daily and an interannual timescale. Making use of this anti-correlation we calculate the linear dependence of the interannual variations in column ClO on interannual variations in temperature. By making use of this relationship, we can better estimate the underlying trend in the total chlorine (Cly = HCl + ClONO2 + HOCl + 2 × Cl2 + 2 × Cl2O2 + ClO + Cl). The resultant trends in Cly, which determine the long-term trend in ClO, are estimated to be -0.5 ± 0.2, -1.4 ± 0.9, and -0.6 ± 0.4 % year-1, for zonal MLS, Scott Base MLS (both 2004-2015), and ChlOE (1996-2015) respectively. These trends are within 1σ of trends in stratospheric Cly previously found at other latitudes. The decrease in ClO is consistent with the trend expected from regulations enacted under the Montreal Protocol.

  15. Searches for Supersymmetry with compressed mass spectra using monojet events with the CMS detector at the LHC

    CERN Document Server

    Lucas, Robyn Elizabeth; Worm, Steve

    2015-01-01

    A novel search for supersymmetric particles in events with one high transverse momentum jet and large missing transverse energy is performed using an integrated luminosity of 19.7 fb$^{-1}$ of pp collision data collected using the CMS detector at the Large Hadron Collider. By using events with an energetic radiated jet, sensitivity to supersymmetric models with compressed mass spectra is gained where the decay products have very low energy. Standard Model background estimates are evaluated with the use of data control samples. No excess over Standard Model expectations is observed, and limits are placed on third generation squark production at the 95% confidence level using supersymmetric simplified models. The development of a Level 1 trigger algorithm to reconstruct jets in the Phase 1 Upgrade of the CMS detector is presented. Utilising the full granularity of the CMS calorimeter and time-multiplexed-trigger technology, a new algorithm with increased flexibility and resolution is presented. It is possible t...

  16. Discovery and characterization of 3000+ main-sequence binaries from APOGEE spectra

    Science.gov (United States)

    El-Badry, Kareem; Ting, Yuan-Sen; Rix, Hans-Walter; Quataert, Eliot; Weisz, Daniel R.; Cargile, Phillip; Conroy, Charlie; Hogg, David W.; Bergemann, Maria; Liu, Chao

    2018-05-01

    We develop a data-driven spectral model for identifying and characterizing spatially unresolved multiple-star systems and apply it to APOGEE DR13 spectra of main-sequence stars. Binaries and triples are identified as targets whose spectra can be significantly better fit by a superposition of two or three model spectra, drawn from the same isochrone, than any single-star model. From an initial sample of ˜20 000 main-sequence targets, we identify ˜2500 binaries in which both the primary and secondary stars contribute detectably to the spectrum, simultaneously fitting for the velocities and stellar parameters of both components. We additionally identify and fit ˜200 triple systems, as well as ˜700 velocity-variable systems in which the secondary does not contribute detectably to the spectrum. Our model simplifies the process of simultaneously fitting single- or multi-epoch spectra with composite models and does not depend on a velocity offset between the two components of a binary, making it sensitive to traditionally undetectable systems with periods of hundreds or thousands of years. In agreement with conventional expectations, almost all the spectrally identified binaries with measured parallaxes fall above the main sequence in the colour-magnitude diagram. We find excellent agreement between spectrally and dynamically inferred mass ratios for the ˜600 binaries in which a dynamical mass ratio can be measured from multi-epoch radial velocities. We obtain full orbital solutions for 64 systems, including 14 close binaries within hierarchical triples. We make available catalogues of stellar parameters, abundances, mass ratios, and orbital parameters.

  17. Challenges to Constraining Exoplanet Masses via Transmission Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Batalha, Natasha E. [Department of Astronomy and Astrophysics, Pennsylvania State University, State College, PA 16802 (United States); Kempton, Eliza M.-R. [Department of Physics, Grinnell College, 1116 8th Avenue, Grinnell, IA 50112 (United States); Mbarek, Rostom, E-mail: neb149@psu.edu [Department of Astronomy and Astrophysics, University of Chicago, 5640 South Ellis Avenue, Chicago, IL 60637 (United States)

    2017-02-10

    MassSpec , a method for determining the mass of a transiting exoplanet from its transmission spectrum alone, was proposed by de Wit and Seager. The premise of this method relies on the planet’s surface gravity being extracted from the transmission spectrum via its effect on the atmospheric scale height, which in turn determines the strength of absorption features. Here, we further explore the applicability of MassSpec to low-mass exoplanets—specifically those in the super-Earth size range for which radial velocity determinations of the planetary mass can be extremely challenging and resource intensive. Determining the masses of these planets is of the utmost importance because their nature is otherwise highly unconstrained. Without knowledge of the mass, these planets could be rocky, icy, or gas-dominated. To investigate the effects of planetary mass on transmission spectra, we present simulated observations of super-Earths with atmospheres made up of mixtures of H{sub 2}O and H{sub 2}, both with and without clouds. We model their transmission spectra and run simulations of each planet as it would be observed with James Webb Space Telescope using the NIRISS, NIRSpec, and MIRI instruments. We find that significant degeneracies exist between transmission spectra of planets with different masses and compositions, making it impossible to unambiguously determine the planet’s mass in many cases.

  18. Challenges to Constraining Exoplanet Masses via Transmission Spectroscopy

    International Nuclear Information System (INIS)

    Batalha, Natasha E.; Kempton, Eliza M.-R.; Mbarek, Rostom

    2017-01-01

    MassSpec , a method for determining the mass of a transiting exoplanet from its transmission spectrum alone, was proposed by de Wit and Seager. The premise of this method relies on the planet’s surface gravity being extracted from the transmission spectrum via its effect on the atmospheric scale height, which in turn determines the strength of absorption features. Here, we further explore the applicability of MassSpec to low-mass exoplanets—specifically those in the super-Earth size range for which radial velocity determinations of the planetary mass can be extremely challenging and resource intensive. Determining the masses of these planets is of the utmost importance because their nature is otherwise highly unconstrained. Without knowledge of the mass, these planets could be rocky, icy, or gas-dominated. To investigate the effects of planetary mass on transmission spectra, we present simulated observations of super-Earths with atmospheres made up of mixtures of H 2 O and H 2 , both with and without clouds. We model their transmission spectra and run simulations of each planet as it would be observed with James Webb Space Telescope using the NIRISS, NIRSpec, and MIRI instruments. We find that significant degeneracies exist between transmission spectra of planets with different masses and compositions, making it impossible to unambiguously determine the planet’s mass in many cases.

  19. Chlorine activation by N2O5: simultaneous, in situ detection of ClNO2 and N2O5 by chemical ionization mass spectrometry

    Directory of Open Access Journals (Sweden)

    J. A. Thornton

    2009-05-01

    Full Text Available We report a new method for the simultaneous in situ detection of nitryl chloride (ClNO2 and dinitrogen pentoxide (N2O5 using chemical ionization mass spectrometry (CIMS. The technique relies on the formation and detection of iodide ion-molecule clusters, I(ClNO2− and I(N2O5−. The novel N2O5 detection scheme is direct. It does not suffer from high and variable chemical interferences, which are associated with the typical method of nitrate anion detection. We address the role of water vapor, CDC electric field strength, and instrument zero determinations, which influence the overall sensitivity and detection limit of this method. For both species, the method demonstrates high sensitivity (>1 Hz/pptv, precision (~10% for 100 pptv in 1 s, and accuracy (~20%, the latter ultimately determined by the nitrogen dioxide (NO2 cylinder calibration standard and characterization of inlet effects. For the typically low background signals (S/N ratios of 2 for 1 pptv in 60 s averages, but uncertainty associated with the instrumental zero currently leads to an ultimate detection limit of ~5 pptv for both species. We validate our approach for the simultaneous in situ measurement of ClNO2 and N2O5 while on board the R/V Knorr as part of the ICEALOT 2008 Field Campaign.

  20. Performance of the modified DREAMS ion source for {sup 36}Cl applications

    Energy Technology Data Exchange (ETDEWEB)

    Pavetich, Stefan; Akhmadaliev, Shavkat; Merchel, Silke; Rugel, Georg; Ziegenruecker, Rene [Helmholtz-Zentrum Dresden-Rossendorf (Germany)

    2014-07-01

    First analyses of real {sup 36}Cl-AMS samples were performed with the newly developed low memory-effect ion source at the DREsden Accelerator Mass Spectrometry (DREAMS) facility. Considerable improvements have been reached with respect to the overall ion source performance. Especially, parameters like current output, ion source fractionation effects, normalization factors, blank values and sulphur suppression factors have been investigated to enhance accuracy of {sup 36}Cl-data. Applications cover a wide spectrum, which implies also highly variable {sup 36}Cl/{sup 35+37}Cl-ratios ranging from nearly background level of ∝10{sup -15} up to 10{sup -10}. Samples from aquifers in arid regions for groundwater dating and modelling were analysed. Meteorite samples were measured to investigate the constancy of the galactic cosmic radiation, production rates from sulphur, and reconstruction of exposure histories of individual meteorites.

  1. Negative-Ion source for mass selective photodetachment photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Kaesmaier, R.; Baemann, C.; Drechsler, G.; Boesl, U.

    1995-01-01

    We have designed and constructed a negative ion source for mass spectrometry and mass selective photodetachement photoelectron spectroscopy. The characteristics of the source are high anion densities and a large variety of accessible systems. Thus, mass spectra and photoelectron spectra of large unvolatile moelcules (biomolecules), of metal-organic compounds and of molecule water clusters, especially mentioned in this article, have been measured. Combining mass spectrometry, photoelectron spectroscopy (PES) and high resolution ZEKE (zero kinetic energy)-PES (1) should make the apparatus to an ideal diagnostic tool for structural assignment

  2. Distribution of {sup 36}Cl/Cl in a river-recharged aquifer: Implications for the fallout rate of bomb-produced {sup 36}Cl

    Energy Technology Data Exchange (ETDEWEB)

    Tosaki, Yuki, E-mail: tosaki@tac.tsukuba.ac.j [Sustainable Environmental Studies, Graduate School of Life and Environmental Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8572 (Japan); Massmann, Gudrun [Institute of Geological Sciences, Department of Earth Sciences, Freie Universitaet Berlin, Malteserstrasse 74-100, 12249 Berlin (Germany); Tase, Norio [Sustainable Environmental Studies, Graduate School of Life and Environmental Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8572 (Japan); Sasa, Kimikazu; Takahashi, Tsutomu [Tandem Accelerator Complex, Research Facility Center for Science and Technology, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Matsushi, Yuki [Department of Nuclear Engineering and Management, School of Engineering, University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan); Tamari, Michiko [Department of Chemistry, Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8571 (Japan); Nagashima, Yasuo [Tandem Accelerator Complex, Research Facility Center for Science and Technology, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Bessho, Kotaro; Matsumura, Hiroshi [Radiation Science Center, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan)

    2010-04-15

    Distribution of {sup 36}Cl/Cl ratios in a river-recharged aquifer was investigated in the Oderbruch area, northeastern Germany. The aquifer is confined up to 3.5-4 km inland, where it changes to an unconfined condition. The {sup 36}Cl/Cl ratios in the confined area were in the range between 4.6 x 10{sup -14} and 23.1 x 10{sup -14}, showing a peak at 2-3 km away from the river. A plot of {sup 36}Cl/Cl vs. reciprocal Cl{sup -} concentrations indicated possible effect of the Cl{sup -} concentration variation on the observed {sup 36}Cl/Cl ratios. After accounting for this effect, the estimated {sup 36}Cl fallout rates for the last 30 yrs show reasonable agreement with the Dye-3 data and the mid-latitude background value. The results suggest that a local {sup 36}Cl fallout curve can be constructed from groundwater when dispersive mixing is of minor importance.

  3. Vacuum-Ultraviolet Photoionization and Mass Spectrometric Characterization of Lignin Monomers Coniferyl and Sinapyl Alcohols

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, Lynelle K.; Zhou, Jia; Kostko, Oleg; Golan, Amir; Leone, Stephen R.; Ahmed, Musahid

    2011-02-09

    The fragmentation mechanisms of monolignols under various energetic processes are studied with jet-cooled thermal desorption molecular beam (TDMB) mass spectrometry (MS), 25 keV Bi3+ secondary ion MS (SIMS), synchrotron vacuum-ultraviolet secondary neutral MS (VUV-SNMS) and theoretical methods. Experimental and calculated appearance energies of fragments observed in TDMB MS indicate that the coniferyl alcohol photoionization mass spectra contain the molecular parent and several dissociative photoionization products. Similar results obtained for sinapyl alcohol are also discussed briefly. Ionization energies of 7.60 eV ? 0.05 eV for coniferyl alcohol and<7.4 eV for both sinapyl and dihydrosinapyl alcohols are determined. The positive ion SIMS spectrum of coniferyl alcohol shares few characteristic peaks (m/z = 137 and 151) with the TDMB mass spectra, shows extensive fragmentation, and does not exhibit clear molecular parent signals. VUV-SNMS spectra, on the other hand, are dominated by the parent ion and main fragments also present in the TDMB spectra. Molecular fragmentation in VUV-SNMS spectra can be reduced by increasing the extraction delay time. Some features resembling the SIMS spectra are also observed in the desorbed neutral products. The monolignol VUV-SNMS peaks shared with the TDMB mass spectra suggest that dissociative photoionization of ion-sputtered neutral molecules predominate in the VUV-SNMS mass spectra, despite the extra internal energy imparted in the initial ion impact. The potential applications of these results to imaging mass spectrometry of bio-molecules are discussed.

  4. Simple preparations of Pd6Cl12, Pt6Cl12, and Qn[Pt2Cl8+n], n=1, 2 (Q=TBA+, PPN+) and structural characterization of [TBA][Pt2Cl9] and [PPN]2[Pt2Cl10].C7H8.

    Science.gov (United States)

    Dell'Amico, Daniela Belli; Calderazzo, Fausto; Marchetti, Fabio; Ramello, Stefano; Samaritani, Simona

    2008-02-04

    The hexanuclear Pd6Cl12, i.e., the crystal phase classified as beta-PdCl2, was obtained by reacting [TBA]2[Pd2Cl6] with AlCl3 (or FeCl3) in CH2Cl2. The action of AlCl3 on PtCl42-, followed by digestion of the resulting solid in 1,2-C2H4Cl2 (DCE), CHCl3, or benzene, produced Pt6Cl12.DCE, Pt6Cl12.CHCl3, or Pt6Cl12.C6H6, respectively. Treating [TBA]2[PtCl6] with a slight excess of AlCl3 afforded [TBA][Pt2Cl9], whose anion was established crystallographically to be constituted by two "PtCl6" octahedra sharing a face. Dehydration of H2PtCl6.nH2O with SOCl2 gave an amorphous compound closely analyzing as PtCl4, reactive with [Q]Cl in SOCl2 to yield [Q][Pt2Cl9] or [Q]2[Pt2Cl10], depending on the [Q]Cl/Pt molar ratio (Q=TBA+, PPN+). A single-crystal X-ray diffraction study has shown [PPN]2[Pt2Cl10].C7H8 to contain dinuclear anions formed by two edge-sharing PtCl6 octahedra.

  5. Predicting ambient aerosol Thermal Optical Reflectance (TOR) measurements from infrared spectra: organic carbon

    Science.gov (United States)

    Dillner, A. M.; Takahama, S.

    2014-11-01

    Organic carbon (OC) can constitute 50% or more of the mass of atmospheric particulate matter. Typically, the organic carbon concentration is measured using thermal methods such as Thermal-Optical Reflectance (TOR) from quartz fiber filters. Here, methods are presented whereby Fourier Transform Infrared (FT-IR) absorbance spectra from polytetrafluoroethylene (PTFE or Teflon) filters are used to accurately predict TOR OC. Transmittance FT-IR analysis is rapid, inexpensive, and non-destructive to the PTFE filters. To develop and test the method, FT-IR absorbance spectra are obtained from 794 samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites sampled during 2011. Partial least squares regression is used to calibrate sample FT-IR absorbance spectra to artifact-corrected TOR OC. The FTIR spectra are divided into calibration and test sets by sampling site and date which leads to precise and accurate OC predictions by FT-IR as indicated by high coefficient of determination (R2; 0.96), low bias (0.02 μg m-3, all μg m-3 values based on the nominal IMPROVE sample volume of 32.8 m-3), low error (0.08 μg m-3) and low normalized error (11%). These performance metrics can be achieved with various degrees of spectral pretreatment (e.g., including or excluding substrate contributions to the absorbances) and are comparable in precision and accuracy to collocated TOR measurements. FT-IR spectra are also divided into calibration and test sets by OC mass and by OM / OC which reflects the organic composition of the particulate matter and is obtained from organic functional group composition; this division also leads to precise and accurate OC predictions. Low OC concentrations have higher bias and normalized error due to TOR analytical errors and artifact correction errors, not due to the range of OC mass of the samples in the calibration set. However, samples with low OC mass can be used to predict samples with high OC mass indicating that the

  6. Beta spectra. II-Positron spectra

    International Nuclear Information System (INIS)

    Grau, A.; Garcia-Torano, E.

    1981-01-01

    Using the Fermi theory of beta decay, the beta spectra for 30 positron emitters have been computed, introducing a correction factor for unique forbidden transitions. The spectra are ploted vs. energy, once normalised, and tabulated with the related Fermi functions. The average and median energies are calculated. (author)

  7. Comparison of detector systems for the separation of 36Cl and 36S with a 3-MV tandem

    International Nuclear Information System (INIS)

    Orlowski, Tobias; Forstner, Oliver; Golser, Robin; Kutschera, Walter; Merchel, Silke; Martschini, Martin; Priller, Alfred; Steier, Peter; Vockenhuber, Christof; Wallner, Anton

    2010-01-01

    The possibility of detecting 36 Cl for geological exposure dating has been explored for several years at VERA (the Vienna Environmental Research Accelerator). First results on real samples were obtained with an ionization chamber (developed at the ETH/PSI, Zuerich, Switzerland) with two anodes. To improve the suppression of 36 S, we equipped the ionization chamber with an exit window and added a Time-of-Flight (TOF) system with a double-sided silicon strip detector (50 x 50 mm 2 ) as stop detector. We optimized the TOF setup by using silicon nitride foils to reduce scattering tails in the energy spectra. At 3 MV terminal voltage, corresponding to a particle energy of 24 MeV of 36 Cl 7+ , we achieved a 36 S 7+ -suppression of 21,500 (50% 36 Cl-detector-efficiency).

  8. Analysis of low-intensity scintillation spectra

    International Nuclear Information System (INIS)

    Muravsky, V.; Tolstov, S.A.

    2002-01-01

    The maximum likelihood algorithms for nuclides activities estimation from low intensity scintillation γ-ray spectra have been created. The algorithms treat full energy peaks and Compton parts of spectra, and they are more effective than least squares estimators. The factors that could lead to the bias of activity estimates are taken into account. Theoretical analysis of the problem of choosing the optimal set of initial spectra for the spectrum model to minimize errors of the activities estimation has been carried out for the general case of the N-components with Gaussian or Poisson statistics. The obtained criterion allows to exclude superfluous initial spectra of nuclides from the model. A special calibration procedure for scintillation γ-spectrometers has been developed. This procedure is required for application of the maximum likelihood activity estimators processing all the channels of the scintillation γ-spectrum, including the Compton part. It allows one to take into account the influence of the sample mass density variation. The algorithm for testing the spectrum model adequacy to the processed scintillation spectrum has been developed. The algorithms are realized in Borland Pascal 7 as a library of procedures and functions. The developed library is compatible with Delphi 1.0 and higher versions. It can be used as the algorithmic basis for analysis of highly sensitive scintillation γ- and β-spectrometric devices. (author)

  9. Synthesis of KMgCl{sub 3} nanomaterial and luminescence of Ce{sup 3+}/Dy{sup 3+}/Eu{sup 3+} by different routes

    Energy Technology Data Exchange (ETDEWEB)

    Poddar, Anuradha [Department of Physics, Sindhu Mahavidyalaya, Nagpur 440017 (India); Gedam, S.C., E-mail: gedam_sc@rediffmail.com [Department of Physics, K.Z.S. Science College, Kalmeshwar, Nagpur 441501 (India); Dhoble, S.J. [Department of Physics, RTM Nagpur University, Nagpur 440033 (India)

    2015-02-15

    The present KMgCl{sub 3} phosphor has been synthesized through wet chemical synthesis (WCS), solid state diffusion (SSD) and Hispersed centrifuge (HC) routes in the same atmospheric conditions and characterized for luminescence properties. XRDs of the sample prepared by all three methods have been placed at the same position, phase and matched well with standard data. The particle size of 20 nm of KMgCl{sub 3} by a Hispersed centrifuged method was detected using a transmission electron microscope (TEM). The PL emission spectra have been observed for Ce{sup 3+} at 353 nm and 375 nm due to 5d→4f transition, whereas luminescence of Dy{sup 3+} efficiently observed at 484 nm and 579 nm for an excitation of 384 nm due to {sup 4}F{sub 9/2}→ {sup 6}H{sub 15/2} and {sup 6}H{sub 13/2} (blue–yellow region) transition and Eu{sup 3+} is peaking at 596 nm and 616 nm (λ{sub ex}=394 nm) due to level {sup 5}D{sub 0} to {sup 7}F{sub j} (j=0, 1, 2, and 3) radiative transitions. The presented phosphors are excited in the range of 300–400 nm which is mercury free excited range. Synthesis and photoluminescence spectra of trivalent Ce, Dy or Eu rare-earths in KMgCl{sub 3} are described for all three routes, for the first time in the present work. The CIE chromaticity coordinates were also calculated for KMgCl{sub 3}:X (Ce{sup 3+}, Dy{sup 3+} and Eu{sup 3+}) phosphors, which are close to the NTSC standard values. KMgCl{sub 3} matrix is not only suitable for different and easy synthesis but efficient luminescence also. The paper discuses the XRD, crystallinity (morphology) and luminescence of Ce, Dy or Eu rare-earths in KMgCl{sub 3} synthesized by three (WCS, SSD and HC) different routes. - Highlights: • The particle size 20 nm of KMgCl{sub 3} was detected by Hispersed centrifuged method using TEM. • The phosphors are prepared by very simple WCM, SSD and HS technique. • An efficient luminescence is observed in KMgCl{sub 3}:X (X=Ce{sup 3+}, Dy{sup 3+} and Eu{sup 3

  10. BETA SPECTRA. I. Negatrons spectra

    International Nuclear Information System (INIS)

    Grau Malonda, A.; Garcia-Torano, E.

    1978-01-01

    Using the Fermi theory of beta decay, the beta spectra for 62 negatrons emitters have been computed introducing a correction factor for unique forbidden transitions. These spectra are plotted vs. energy, once normal i sed, and tabulated with the related Fermi functions. The average and median energies are calculated. (Author)

  11. Approach to calculation of mass spectra and two-photon decays of c c¯ mesons in the framework of Bethe-Salpeter equation

    Science.gov (United States)

    Bhatnagar, Shashank; Alemu, Lmenew

    2018-02-01

    In this work we calculate the mass spectra of charmonium for 1 P ,…,4 P states of 0++ and 1++, for 1 S ,…,5 S states of 0-+, and for 1 S ,…,4 D states of 1- along with the two-photon decay widths of the ground and first excited states of 0++ quarkonia for the process O++→γ γ in the framework of a QCD-motivated Bethe-Salpeter equation (BSE). In this 4 ×4 BSE framework, the coupled Salpeter equations are first shown to decouple for the confining part of the interaction (under the heavy-quark approximation) and are analytically solved, and later the one-gluon-exchange interaction is perturbatively incorporated, leading to mass spectral equations for various quarkonia. The analytic forms of wave functions obtained are used for the calculation of the two-photon decay widths of χc 0. Our results are in reasonable agreement with data (where available) and other models.

  12. Accurate product ion mass spectra of galanthamine derivatives

    Czech Academy of Sciences Publication Activity Database

    Jegorov, A.; Buchta, M.; Sedmera, Petr; Kuzma, Marek; Havlíček, Vladimír

    2006-01-01

    Roč. 41, - (2006), s. 544-548 ISSN 1076-5174 R&D Projects: GA MŠk LC545 Grant - others:XE(XE) MTKD-CT-2004-014407 Institutional research plan: CEZ:AV0Z50200510 Keywords : mass spectrometry * galanthamine Subject RIV: EE - Microbiology, Virology Impact factor: 2.945, year: 2006

  13. Synthesis, characterization, structure and properties of heterobimetallic complexes [CuNi(μ-OAc) (μ-OH) (μ-OH2) (bpy)2] (BF4)2 and [CuNi(bz)3(bpy)2] ClO4 from 2,2‧ bipyridine

    Science.gov (United States)

    Kurbah, Sunshine D.; Kumar, A.; Syiemlieh, I.; Dey, A. K.; Lal, R. A.

    2018-02-01

    Heterobimetallic complexes of the composition [CuNi(bpy)2 (μ-OAc) (μ-OH) (μ-OH2)](BF4)2 (1) and [CuNi(bz)3 (bpy)2]ClO4 (2) were synthesized in moderate yield through solid state reaction and have been characterized by elemental analyses, molar conductance, mass spectra, magnetic moment, EPR, UV-Vis, IR spectroscopies and cyclic voltammetry. The ground state in complex (1) is doublet while that in complex (2), the ground state is a mixture of doublet and quartet, respectively. The structure of the complexes has been established by X-ray crystallography. The electron transfer reactions of the complexes have been investigated by cyclic voltammetry.

  14. Lanthanide complexes of 2-aminoacetophenone and 2-acetylaminoacetophenone 2-thenoylhydrazone

    International Nuclear Information System (INIS)

    Singh, Praveen K.; Singh, B.

    1998-01-01

    The reaction of lanthanide chlorides with 2-aminoacetophenone-2-thenoyl- hydrazone and 2-acetylaminoacetophenone-2-thenoylhydrazone yield complexes of the type [Ln(aath) 2 Cl 2 (H 2 )O]Cl and [Ln(acaath) 2 Cl 2 ]Cl. These complexes have been characterized by molar conductance, magnetic susceptibility, TGA, DTA and various spectroscopic techniques such as mass, IR, NMR, UV - visible and emission spectra. Mass spectral data indicate the aath complexes to be monomeric. Thermal stability of the complexes and presence of one water molecule in aath complex is indicated by TGA and DTA studies. Electronic spectra of Pr(III) and Nd(III) complexes show the coordination number to be nine and eight around the metal ions in the aath and acaath complexes, respectively. This has also been inferred from the spectral features of the hypersensitive transition in the Nd(III) complexes. The lowering in coordination number from aath to acaath complexes may be attributed to increase in chelate ring size and/or steric/inductive effect of methyl group. Emission spectral studies of the [Eu(aath) 2 Cl 2 (H 2 O)]Cl and [Eu(acaath) 2 Cl 2 ]Cl suggest tricapped trigonal prismatic (D 3h ) and square antiprismatic (D 4d ) geometry, respectively. (author)

  15. Analysis of X-ray adsorption edges: L2,3 edge of FeCl4-

    Energy Technology Data Exchange (ETDEWEB)

    Bagus, Paul S. [Department of Chemistry, University of North Texas, Denton, Texas 76203-5017, USA; Nelin, Connie J. [Consultant, Austin, Texas 78730, USA; Ilton, Eugene S. [Pacific Northwest National Laboratory, Richland, Washington 99352, USA; Sassi, Michel J. [Pacific Northwest National Laboratory, Richland, Washington 99352, USA; Rosso, Kevin M. [Pacific Northwest National Laboratory, Richland, Washington 99352, USA

    2017-12-14

    We describe a detailed analysis of the features of the X-ray adsorption spectra at the Fe L2,3 edge of FeCl4. The objective of this analysis is to explain the origin of the complex features in relation to properties of the wavefunctions, especially for the excited states. These properties include spin-orbit and ligand field splittings where a novel aspect of the dipole selection rules is applied to understand the influence of these splittings on the spectra. We also explicitly take account of the intermediate coupling of the open core and valence shell electrons. Our analysis also includes comparison of theory and experiment for the Fe L2,3 edge and comparison of theoretical predictions for the Fe3+ cation and FeCl4-. The electronic structure is obtained from theoretical wavefunctions for the ground and excited states.

  16. X-ray absorption spectra and emission spectra of plasmas

    International Nuclear Information System (INIS)

    Peng Yonglun; Yang Li; Wang Minsheng; Li Jiaming

    2002-01-01

    The author reports a theoretical method to calculate the resolved absorption spectra and emission spectra (optically thin) of hot dense plasmas. Due to its fully relativistic treatment incorporated with the quantum defect theory, it calculates the absorption spectra and emission spectra for single element or multi-element plasmas with little computational efforts. The calculated absorption spectra of LTE gold plasmas agree well with the experimental ones. It also calculates the optical thin emission spectra of LTE gold plasmas, which is helpful to diagnose the plasmas of relevant ICF plasmas. It can also provide the relevant parameters such as population density of various ionic stages, precise radiative properties for ICF studies

  17. Electrochemical and spectroscopie behaviour of iron in the molten NaCl-K2SO4 mixture

    DEFF Research Database (Denmark)

    Bjerrum, Niels; Petruchina, Irina; Volkov, S.V.

    1996-01-01

    The chemical and electrochemical dissolving of Armco iron in the NaCl-K2SO4 melt has been studied. In the case of the chemical dissolution, a sample becomes coated, as time goes on, with a dense film consisting of FeO, FeS and Fe3O4; precipitation in the melt is observed, the precipitate consisting...... not detect Fe(III) by electronic absorption spectra, possibly due to the superimposition of the charge transfer bands edge on low-intensity Fe(III) bands of the 5d electronic configuration. The solubility of Fe2O3 in the NaCl-K2SO4 melt is low and was determined to 2 x 10(-3) wt%....

  18. Search for physics beyond the standard model in dilepton mass spectra in proton-proton collisions at $\\sqrt{s}$ = 8 TeV

    CERN Document Server

    Khachatryan, Vardan; Tumasyan, Armen; Adam, Wolfgang; Bergauer, Thomas; Dragicevic, Marko; Erö, Janos; Fabjan, Christian; Friedl, Markus; Fruehwirth, Rudolf; Ghete, Vasile Mihai; Hartl, Christian; Hörmann, Natascha; Hrubec, Josef; Jeitler, Manfred; Kiesenhofer, Wolfgang; Knünz, Valentin; Krammer, Manfred; Krätschmer, Ilse; Liko, Dietrich; Mikulec, Ivan; Rabady, Dinyar; Rahbaran, Babak; Rohringer, Herbert; Schöfbeck, Robert; Strauss, Josef; Taurok, Anton; Treberer-Treberspurg, Wolfgang; Waltenberger, Wolfgang; Wulz, Claudia-Elisabeth; Mossolov, Vladimir; Shumeiko, Nikolai; Suarez Gonzalez, Juan; Alderweireldt, Sara; Bansal, Monika; Bansal, Sunil; Cornelis, Tom; De Wolf, Eddi A; Janssen, Xavier; Knutsson, Albert; Luyckx, Sten; Ochesanu, Silvia; Rougny, Romain; Van De Klundert, Merijn; Van Haevermaet, Hans; Van Mechelen, Pierre; Van Remortel, Nick; Van Spilbeeck, Alex; Blekman, Freya; Blyweert, Stijn; D'Hondt, Jorgen; Daci, Nadir; Heracleous, Natalie; Keaveney, James; Lowette, Steven; Maes, Michael; Olbrechts, Annik; Python, Quentin; Strom, Derek; Tavernier, Stefaan; Van Doninck, Walter; Van Mulders, Petra; Van Onsem, Gerrit Patrick; Villella, Ilaria; Caillol, Cécile; Clerbaux, Barbara; De Lentdecker, Gilles; Dobur, Didar; Favart, Laurent; Gay, Arnaud; Grebenyuk, Anastasia; Léonard, Alexandre; Mohammadi, Abdollah; Perniè, Luca; Reis, Thomas; Seva, Tomislav; Thomas, Laurent; Vander Velde, Catherine; Vanlaer, Pascal; Wang, Jian; Zenoni, Florian; Adler, Volker; Beernaert, Kelly; Benucci, Leonardo; Cimmino, Anna; Costantini, Silvia; Crucy, Shannon; Dildick, Sven; Fagot, Alexis; Garcia, Guillaume; Mccartin, Joseph; Ocampo Rios, Alberto Andres; Ryckbosch, Dirk; Salva Diblen, Sinem; Sigamani, Michael; Strobbe, Nadja; Thyssen, Filip; Tytgat, Michael; Yazgan, Efe; Zaganidis, Nicolas; Basegmez, Suzan; Beluffi, Camille; Bruno, Giacomo; Castello, Roberto; Caudron, Adrien; Ceard, Ludivine; Da Silveira, Gustavo Gil; Delaere, Christophe; Du Pree, Tristan; Favart, Denis; Forthomme, Laurent; Giammanco, Andrea; Hollar, Jonathan; Jafari, Abideh; Jez, Pavel; Komm, Matthias; Lemaitre, Vincent; Nuttens, Claude; Pagano, Davide; Perrini, Lucia; Pin, Arnaud; Piotrzkowski, Krzysztof; Popov, Andrey; Quertenmont, Loic; Selvaggi, Michele; Vidal Marono, Miguel; Vizan Garcia, Jesus Manuel; Beliy, Nikita; Caebergs, Thierry; Daubie, Evelyne; Hammad, Gregory Habib; Aldá Júnior, Walter Luiz; Alves, Gilvan; Brito, Lucas; Correa Martins Junior, Marcos; Dos Reis Martins, Thiago; Mora Herrera, Clemencia; Pol, Maria Elena; Carvalho, Wagner; Chinellato, Jose; Custódio, Analu; Melo Da Costa, Eliza; De Jesus Damiao, Dilson; De Oliveira Martins, Carley; Fonseca De Souza, Sandro; Malbouisson, Helena; Matos Figueiredo, Diego; Mundim, Luiz; Nogima, Helio; Prado Da Silva, Wanda Lucia; Santaolalla, Javier; Santoro, Alberto; Sznajder, Andre; Tonelli Manganote, Edmilson José; Vilela Pereira, Antonio; Bernardes, Cesar Augusto; Dogra, Sunil; Tomei, Thiago; De Moraes Gregores, Eduardo; Mercadante, Pedro G; Novaes, Sergio F; Padula, Sandra; Aleksandrov, Aleksandar; Genchev, Vladimir; Iaydjiev, Plamen; Marinov, Andrey; Piperov, Stefan; Rodozov, Mircho; Stoykova, Stefka; Sultanov, Georgi; Vutova, Mariana; Dimitrov, Anton; Glushkov, Ivan; Hadjiiska, Roumyana; Kozhuharov, Venelin; Litov, Leander; Pavlov, Borislav; Petkov, Peicho; Bian, Jian-Guo; Chen, Guo-Ming; Chen, He-Sheng; Chen, Mingshui; Du, Ran; Jiang, Chun-Hua; Plestina, Roko; Romeo, Francesco; Tao, Junquan; Wang, Zheng; Asawatangtrakuldee, Chayanit; Ban, Yong; Li, Qiang; Liu, Shuai; Mao, Yajun; Qian, Si-Jin; Wang, Dayong; Zou, Wei; Avila, Carlos; Chaparro Sierra, Luisa Fernanda; Florez, Carlos; Gomez, Juan Pablo; Gomez Moreno, Bernardo; Sanabria, Juan Carlos; Godinovic, Nikola; Lelas, Damir; Polic, Dunja; Puljak, Ivica; Antunovic, Zeljko; Kovac, Marko; Brigljevic, Vuko; Kadija, Kreso; Luetic, Jelena; Mekterovic, Darko; Sudic, Lucija; Attikis, Alexandros; Mavromanolakis, Georgios; Mousa, Jehad; Nicolaou, Charalambos; Ptochos, Fotios; Razis, Panos A; Bodlak, Martin; Finger, Miroslav; Finger Jr, Michael; Assran, Yasser; Elgammal, Sherif; Mahmoud, Mohammed; Radi, Amr; Kadastik, Mario; Murumaa, Marion; Raidal, Martti; Tiko, Andres; Eerola, Paula; Fedi, Giacomo; Voutilainen, Mikko; Härkönen, Jaakko; Karimäki, Veikko; Kinnunen, Ritva; Kortelainen, Matti J; Lampén, Tapio; Lassila-Perini, Kati; Lehti, Sami; Lindén, Tomas; Luukka, Panja-Riina; Mäenpää, Teppo; Peltola, Timo; Tuominen, Eija; Tuominiemi, Jorma; Tuovinen, Esa; Wendland, Lauri; Talvitie, Joonas; Tuuva, Tuure; Besancon, Marc; Couderc, Fabrice; Dejardin, Marc; Denegri, Daniel; Fabbro, Bernard; Faure, Jean-Louis; Favaro, Carlotta; Ferri, Federico; Ganjour, Serguei; Givernaud, Alain; Gras, Philippe; Hamel de Monchenault, Gautier; Jarry, Patrick; Locci, Elizabeth; Malcles, Julie; Rander, John; Rosowsky, André; Titov, Maksym; Baffioni, Stephanie; Beaudette, Florian; Busson, Philippe; Charlot, Claude; Dahms, Torsten; Dalchenko, Mykhailo; Dobrzynski, Ludwik; Filipovic, Nicolas; Florent, Alice; Granier de Cassagnac, Raphael; Mastrolorenzo, Luca; Miné, Philippe; Mironov, Camelia; Naranjo, Ivo Nicolas; Nguyen, Matthew; Ochando, Christophe; Paganini, Pascal; Regnard, Simon; Salerno, Roberto; Sauvan, Jean-Baptiste; Sirois, Yves; Veelken, Christian; Yilmaz, Yetkin; Zabi, Alexandre; Agram, Jean-Laurent; Andrea, Jeremy; Aubin, Alexandre; Bloch, Daniel; Brom, Jean-Marie; Chabert, Eric Christian; Collard, Caroline; Conte, Eric; Fontaine, Jean-Charles; Gelé, Denis; Goerlach, Ulrich; Goetzmann, Christophe; Le Bihan, Anne-Catherine; Van Hove, Pierre; Gadrat, Sébastien; Beauceron, Stephanie; Beaupere, Nicolas; Boudoul, Gaelle; Bouvier, Elvire; Brochet, Sébastien; Carrillo Montoya, Camilo Andres; Chasserat, Julien; Chierici, Roberto; Contardo, Didier; Depasse, Pierre; El Mamouni, Houmani; Fan, Jiawei; Fay, Jean; Gascon, Susan; Gouzevitch, Maxime; Ille, Bernard; Kurca, Tibor; Lethuillier, Morgan; Mirabito, Laurent; Perries, Stephane; Ruiz Alvarez, José David; Sabes, David; Sgandurra, Louis; Sordini, Viola; Vander Donckt, Muriel; Verdier, Patrice; Viret, Sébastien; Xiao, Hong; Tsamalaidze, Zviad; Autermann, Christian; Beranek, Sarah; Bontenackels, Michael; Edelhoff, Matthias; Feld, Lutz; Hindrichs, Otto; Klein, Katja; Ostapchuk, Andrey; Perieanu, Adrian; Raupach, Frank; Sammet, Jan; Schael, Stefan; Weber, Hendrik; Wittmer, Bruno; Zhukov, Valery; Ata, Metin; Brodski, Michael; Dietz-Laursonn, Erik; Duchardt, Deborah; Erdmann, Martin; Fischer, Robert; Güth, Andreas; Hebbeker, Thomas; Heidemann, Carsten; Hoepfner, Kerstin; Klingebiel, Dennis; Knutzen, Simon; Kreuzer, Peter; Merschmeyer, Markus; Meyer, Arnd; Millet, Philipp; Olschewski, Mark; Padeken, Klaas; Papacz, Paul; Pook, Tobias; Reithler, Hans; Schmitz, Stefan Antonius; Sonnenschein, Lars; Teyssier, Daniel; Thüer, Sebastian; Weber, Martin; Cherepanov, Vladimir; Erdogan, Yusuf; Flügge, Günter; Geenen, Heiko; Geisler, Matthias; Haj Ahmad, Wael; Heister, Arno; Hoehle, Felix; Kargoll, Bastian; Kress, Thomas; Kuessel, Yvonne; Künsken, Andreas; Lingemann, Joschka; Nowack, Andreas; Nugent, Ian Michael; Perchalla, Lars; Pooth, Oliver; Stahl, Achim; Asin, Ivan; Bartosik, Nazar; Behr, Joerg; Behrenhoff, Wolf; Behrens, Ulf; Bell, Alan James; Bergholz, Matthias; Bethani, Agni; Borras, Kerstin; Burgmeier, Armin; Cakir, Altan; Calligaris, Luigi; Campbell, Alan; Choudhury, Somnath; Costanza, Francesco; Diez Pardos, Carmen; Dooling, Samantha; Dorland, Tyler; Eckerlin, Guenter; Eckstein, Doris; Eichhorn, Thomas; Flucke, Gero; Garay Garcia, Jasone; Geiser, Achim; Gunnellini, Paolo; Hauk, Johannes; Hempel, Maria; Horton, Dean; Jung, Hannes; Kalogeropoulos, Alexis; Kasemann, Matthias; Katsas, Panagiotis; Kieseler, Jan; Kleinwort, Claus; Krücker, Dirk; Lange, Wolfgang; Leonard, Jessica; Lipka, Katerina; Lobanov, Artur; Lohmann, Wolfgang; Lutz, Benjamin; Mankel, Rainer; Marfin, Ihar; Melzer-Pellmann, Isabell-Alissandra; Meyer, Andreas Bernhard; Mittag, Gregor; Mnich, Joachim; Mussgiller, Andreas; Naumann-Emme, Sebastian; Nayak, Aruna; Novgorodova, Olga; Ntomari, Eleni; Perrey, Hanno; Pitzl, Daniel; Placakyte, Ringaile; Raspereza, Alexei; Ribeiro Cipriano, Pedro M; Roland, Benoit; Ron, Elias; Sahin, Mehmet Özgür; Salfeld-Nebgen, Jakob; Saxena, Pooja; Schmidt, Ringo; Schoerner-Sadenius, Thomas; Schröder, Matthias; Seitz, Claudia; Spannagel, Simon; Vargas Trevino, Andrea Del Rocio; Walsh, Roberval; Wissing, Christoph; Aldaya Martin, Maria; Blobel, Volker; Centis Vignali, Matteo; Draeger, Arne-Rasmus; Erfle, Joachim; Garutti, Erika; Goebel, Kristin; Görner, Martin; Haller, Johannes; Hoffmann, Malte; Höing, Rebekka Sophie; Kirschenmann, Henning; Klanner, Robert; Kogler, Roman; Lange, Jörn; Lapsien, Tobias; Lenz, Teresa; Marchesini, Ivan; Ott, Jochen; Peiffer, Thomas; Pietsch, Niklas; Poehlsen, Jennifer; Pöhlsen, Thomas; Rathjens, Denis; Sander, Christian; Schettler, Hannes; Schleper, Peter; Schlieckau, Eike; Schmidt, Alexander; Seidel, Markus; Sola, Valentina; Stadie, Hartmut; Steinbrück, Georg; Troendle, Daniel; Usai, Emanuele; Vanelderen, Lukas; Vanhoefer, Annika; Barth, Christian; Baus, Colin; Berger, Joram; Böser, Christian; Butz, Erik; Chwalek, Thorsten; De Boer, Wim; Descroix, Alexis; Dierlamm, Alexander; Feindt, Michael; Frensch, Felix; Giffels, Manuel; Hartmann, Frank; Hauth, Thomas; Husemann, Ulrich; Katkov, Igor; Kornmayer, Andreas; Kuznetsova, Ekaterina; Lobelle Pardo, Patricia; Mozer, Matthias Ulrich; Müller, Thomas; Nürnberg, Andreas; Quast, Gunter; Rabbertz, Klaus; Ratnikov, Fedor; Röcker, Steffen; Simonis, Hans-Jürgen; Stober, Fred-Markus Helmut; Ulrich, Ralf; Wagner-Kuhr, Jeannine; Wayand, Stefan; Weiler, Thomas; Wolf, Roger; Anagnostou, Georgios; Daskalakis, Georgios; Geralis, Theodoros; Giakoumopoulou, Viktoria Athina; Kyriakis, Aristotelis; Loukas, Demetrios; Markou, Athanasios; Markou, Christos; Psallidas, Andreas; Topsis-Giotis, Iasonas; Agapitos, Antonis; Kesisoglou, Stilianos; Panagiotou, Apostolos; Saoulidou, Niki; Stiliaris, Efstathios; Aslanoglou, Xenofon; Evangelou, Ioannis; Flouris, Giannis; Foudas, Costas; Kokkas, Panagiotis; Manthos, Nikolaos; Papadopoulos, Ioannis; Paradas, Evangelos; Bencze, Gyorgy; Hajdu, Csaba; Hidas, Pàl; Horvath, Dezso; Sikler, Ferenc; Veszpremi, Viktor; Vesztergombi, Gyorgy; Zsigmond, Anna Julia; Beni, Noemi; Czellar, Sandor; Karancsi, János; Molnar, Jozsef; Palinkas, Jozsef; Szillasi, Zoltan; Raics, Peter; Trocsanyi, Zoltan Laszlo; Ujvari, Balazs; Swain, Sanjay Kumar; Beri, Suman Bala; Bhatnagar, Vipin; Gupta, Ruchi; Bhawandeep, Bhawandeep; Kalsi, Amandeep Kaur; Kaur, Manjit; Kumar, Ramandeep; Mittal, Monika; Nishu, Nishu; Singh, Jasbir; Kumar, Ashok; Kumar, Arun; Ahuja, Sudha; Bhardwaj, Ashutosh; Choudhary, Brajesh C; Kumar, Ajay; Malhotra, Shivali; Naimuddin, Md; Ranjan, Kirti; Sharma, Varun; Banerjee, Sunanda; Bhattacharya, Satyaki; Chatterjee, Kalyanmoy; Dutta, Suchandra; Gomber, Bhawna; Jain, Sandhya; Jain, Shilpi; Khurana, Raman; Modak, Atanu; Mukherjee, Swagata; Roy, Debarati; Sarkar, Subir; Sharan, Manoj; Abdulsalam, Abdulla; Dutta, Dipanwita; Kailas, Swaminathan; Kumar, Vineet; Mohanty, Ajit Kumar; Pant, Lalit Mohan; Shukla, Prashant; Topkar, Anita; Aziz, Tariq; Banerjee, Sudeshna; Bhowmik, Sandeep; Chatterjee, Rajdeep Mohan; Dewanjee, Ram Krishna; Dugad, Shashikant; Ganguly, Sanmay; Ghosh, Saranya; Guchait, Monoranjan; Gurtu, Atul; Kole, Gouranga; Kumar, Sanjeev; Maity, Manas; Majumder, Gobinda; Mazumdar, Kajari; Mohanty, Gagan Bihari; Parida, Bibhuti; Sudhakar, Katta; Wickramage, Nadeesha; Bakhshiansohi, Hamed; Behnamian, Hadi; Etesami, Seyed Mohsen; Fahim, Ali; Goldouzian, Reza; Khakzad, Mohsen; Mohammadi Najafabadi, Mojtaba; Naseri, Mohsen; Paktinat Mehdiabadi, Saeid; Rezaei Hosseinabadi, Ferdos; Safarzadeh, Batool; Zeinali, Maryam; Felcini, Marta; Grunewald, Martin; Abbrescia, Marcello; Barbone, Lucia; Calabria, Cesare; Chhibra, Simranjit Singh; Colaleo, Anna; Creanza, Donato; De Filippis, Nicola; De Palma, Mauro; Fiore, Luigi; Iaselli, Giuseppe; Maggi, Giorgio; Maggi, Marcello; My, Salvatore; Nuzzo, Salvatore; Pompili, Alexis; Pugliese, Gabriella; Radogna, Raffaella; Selvaggi, Giovanna; Sharma, Archana; Silvestris, Lucia; Venditti, Rosamaria; Zito, Giuseppe; Abbiendi, Giovanni; Benvenuti, Alberto; Bonacorsi, Daniele; Braibant-Giacomelli, Sylvie; Brigliadori, Luca; Campanini, Renato; Capiluppi, Paolo; Castro, Andrea; Cavallo, Francesca Romana; Codispoti, Giuseppe; Cuffiani, Marco; Dallavalle, Gaetano-Marco; Fabbri, Fabrizio; Fanfani, Alessandra; Fasanella, Daniele; Giacomelli, Paolo; Grandi, Claudio; Guiducci, Luigi; Marcellini, Stefano; Masetti, Gianni; Montanari, Alessandro; Navarria, Francesco; Perrotta, Andrea; Primavera, Federica; Rossi, Antonio; Rovelli, Tiziano; Siroli, Gian Piero; Tosi, Nicolò; Travaglini, Riccardo; Albergo, Sebastiano; Cappello, Gigi; Chiorboli, Massimiliano; Costa, Salvatore; Giordano, Ferdinando; Potenza, Renato; Tricomi, Alessia; Tuve, Cristina; Barbagli, Giuseppe; Ciulli, Vitaliano; Civinini, Carlo; D'Alessandro, Raffaello; Focardi, Ettore; Gallo, Elisabetta; Gonzi, Sandro; Gori, Valentina; Lenzi, Piergiulio; Meschini, Marco; Paoletti, Simone; Sguazzoni, Giacomo; Tropiano, Antonio; Benussi, Luigi; Bianco, Stefano; Fabbri, Franco; Piccolo, Davide; Ferretti, Roberta; Ferro, Fabrizio; Lo Vetere, Maurizio; Robutti, Enrico; Tosi, Silvano; Dinardo, Mauro Emanuele; Fiorendi, Sara; Gennai, Simone; Gerosa, Raffaele; Ghezzi, Alessio; Govoni, Pietro; Lucchini, Marco Toliman; Malvezzi, Sandra; Manzoni, Riccardo Andrea; Martelli, Arabella; Marzocchi, Badder; Menasce, Dario; Moroni, Luigi; Paganoni, Marco; Pedrini, Daniele; Ragazzi, Stefano; Redaelli, Nicola; Tabarelli de Fatis, Tommaso; Buontempo, Salvatore; Cavallo, Nicola; Di Guida, Salvatore; Fabozzi, Francesco; Iorio, Alberto Orso Maria; Lista, Luca; Meola, Sabino; Merola, Mario; Paolucci, Pierluigi; Azzi, Patrizia; Bacchetta, Nicola; Bisello, Dario; Branca, Antonio; Carlin, Roberto; Checchia, Paolo; Dall'Osso, Martino; Dorigo, Tommaso; Dosselli, Umberto; Galanti, Mario; Gasparini, Fabrizio; Gasparini, Ugo; Giubilato, Piero; Gozzelino, Andrea; Kanishchev, Konstantin; Lacaprara, Stefano; Margoni, Martino; Meneguzzo, Anna Teresa; Pazzini, Jacopo; Pozzobon, Nicola; Ronchese, Paolo; Simonetto, Franco; Torassa, Ezio; Tosi, Mia; Zotto, Pierluigi; Zucchetta, Alberto; Zumerle, Gianni; Gabusi, Michele; Ratti, Sergio P; Re, Valerio; Riccardi, Cristina; Salvini, Paola; Vitulo, Paolo; Biasini, Maurizio; Bilei, Gian Mario; Ciangottini, Diego; Fanò, Livio; Lariccia, Paolo; Mantovani, Giancarlo; Menichelli, Mauro; Saha, Anirban; Santocchia, Attilio; Spiezia, Aniello; Androsov, Konstantin; Azzurri, Paolo; Bagliesi, Giuseppe; Bernardini, Jacopo; Boccali, Tommaso; Broccolo, Giuseppe; Castaldi, Rino; Ciocci, Maria Agnese; Dell'Orso, Roberto; Donato, Silvio; Fiori, Francesco; Foà, Lorenzo; Giassi, Alessandro; Grippo, Maria Teresa; Ligabue, Franco; Lomtadze, Teimuraz; Martini, Luca; Messineo, Alberto; Moon, Chang-Seong; Palla, Fabrizio; Rizzi, Andrea; Savoy-Navarro, Aurore; Serban, Alin Titus; Spagnolo, Paolo; Squillacioti, Paola; Tenchini, Roberto; Tonelli, Guido; Venturi, Andrea; Verdini, Piero Giorgio; Vernieri, Caterina; Barone, Luciano; Cavallari, Francesca; D'imperio, Giulia; Del Re, Daniele; Diemoz, Marcella; Grassi, Marco; Jorda, Clara; Longo, Egidio; Margaroli, Fabrizio; Meridiani, Paolo; Micheli, Francesco; Nourbakhsh, Shervin; Organtini, Giovanni; Paramatti, Riccardo; Rahatlou, Shahram; Rovelli, Chiara; Santanastasio, Francesco; Soffi, Livia; Traczyk, Piotr; Amapane, Nicola; Arcidiacono, Roberta; Argiro, Stefano; Arneodo, Michele; Bellan, Riccardo; Biino, Cristina; Cartiglia, Nicolo; Casasso, Stefano; Costa, Marco; Degano, Alessandro; Demaria, Natale; Finco, Linda; Mariotti, Chiara; Maselli, Silvia; Migliore, Ernesto; Monaco, Vincenzo; Musich, Marco; Obertino, Maria Margherita; Ortona, Giacomo; Pacher, Luca; Pastrone, Nadia; Pelliccioni, Mario; Pinna Angioni, Gian Luca; Potenza, Alberto; Romero, Alessandra; Ruspa, Marta; Sacchi, Roberto; Solano, Ada; Staiano, Amedeo; Tamponi, Umberto; Belforte, Stefano; Candelise, Vieri; Casarsa, Massimo; Cossutti, Fabio; Della Ricca, Giuseppe; Gobbo, Benigno; La Licata, Chiara; Marone, Matteo; Schizzi, Andrea; Umer, Tomo; Zanetti, Anna; Chang, Sunghyun; Kropivnitskaya, Anna; Nam, Soon-Kwon; Kim, Dong Hee; Kim, Gui Nyun; Kim, Min Suk; Kong, Dae Jung; Lee, Sangeun; Oh, Young Do; Park, Hyangkyu; Sakharov, Alexandre; Son, Dong-Chul; Kim, Tae Jeong; Kim, Jae Yool; Song, Sanghyeon; Choi, Suyong; Gyun, Dooyeon; Hong, Byung-Sik; Jo, Mihee; Kim, Hyunchul; Kim, Yongsun; Lee, Byounghoon; Lee, Kyong Sei; Park, Sung Keun; Roh, Youn; Choi, Minkyoo; Kim, Ji Hyun; Park, Inkyu; Ryu, Geonmo; Ryu, Min Sang; Choi, Young-Il; Choi, Young Kyu; Goh, Junghwan; Kim, Donghyun; Kwon, Eunhyang; Lee, Jongseok; Seo, Hyunkwan; Yu, Intae; Juodagalvis, Andrius; Komaragiri, Jyothsna Rani; Md Ali, Mohd Adli Bin; Castilla-Valdez, Heriberto; De La Cruz-Burelo, Eduard; Heredia-de La Cruz, Ivan; Hernandez-Almada, Alberto; Lopez-Fernandez, Ricardo; Sánchez Hernández, Alberto; Carrillo Moreno, Salvador; Vazquez Valencia, Fabiola; Pedraza, Isabel; Salazar Ibarguen, Humberto Antonio; Casimiro Linares, Edgar; Morelos Pineda, Antonio; Krofcheck, David; Butler, Philip H; Reucroft, Steve; Ahmad, Ashfaq; Ahmad, Muhammad; Hassan, Qamar; Hoorani, Hafeez R; Khalid, Shoaib; Khan, Wajid Ali; Khurshid, Taimoor; Shah, Mehar Ali; Shoaib, Muhammad; Bialkowska, Helena; Bluj, Michal; Boimska, Bożena; Frueboes, Tomasz; Górski, Maciej; Kazana, Malgorzata; Nawrocki, Krzysztof; Romanowska-Rybinska, Katarzyna; Szleper, Michal; Zalewski, Piotr; Brona, Grzegorz; Bunkowski, Karol; Cwiok, Mikolaj; Dominik, Wojciech; Doroba, Krzysztof; Kalinowski, Artur; Konecki, Marcin; Krolikowski, Jan; Misiura, Maciej; Olszewski, Michał; Wolszczak, Weronika; Bargassa, Pedrame; Beirão Da Cruz E Silva, Cristóvão; Faccioli, Pietro; Ferreira Parracho, Pedro Guilherme; Gallinaro, Michele; Lloret Iglesias, Lara; Nguyen, Federico; Rodrigues Antunes, Joao; Seixas, Joao; Varela, Joao; Vischia, Pietro; Golutvin, Igor; Gorbunov, Ilya; Kamenev, Alexey; Karjavin, Vladimir; Konoplyanikov, Viktor; Kozlov, Guennady; Lanev, Alexander; Malakhov, Alexander; Matveev, Viktor; Moisenz, Petr; Palichik, Vladimir; Perelygin, Victor; Savina, Maria; Shmatov, Sergey; Shulha, Siarhei; Skatchkov, Nikolai; Smirnov, Vitaly; Zarubin, Anatoli; Golovtsov, Victor; Ivanov, Yury; Kim, Victor; Levchenko, Petr; Murzin, Victor; Oreshkin, Vadim; Smirnov, Igor; Sulimov, Valentin; Uvarov, Lev; Vavilov, Sergey; Vorobyev, Alexey; Vorobyev, Andrey; Andreev, Yuri; Dermenev, Alexander; Gninenko, Sergei; Golubev, Nikolai; Kirsanov, Mikhail; Krasnikov, Nikolai; Pashenkov, Anatoli; Tlisov, Danila; Toropin, Alexander; Epshteyn, Vladimir; Gavrilov, Vladimir; Lychkovskaya, Natalia; Popov, Vladimir; Safronov, Grigory; Semenov, Sergey; Spiridonov, Alexander; Stolin, Viatcheslav; Vlasov, Evgueni; Zhokin, Alexander; Andreev, Vladimir; Azarkin, Maksim; Dremin, Igor; Kirakosyan, Martin; Leonidov, Andrey; Mesyats, Gennady; Rusakov, Sergey V; Vinogradov, Alexey; Belyaev, Andrey; Boos, Edouard; Bunichev, Viacheslav; Dubinin, Mikhail; Dudko, Lev; Gribushin, Andrey; Klyukhin, Vyacheslav; Kodolova, Olga; Lokhtin, Igor; Obraztsov, Stepan; Perfilov, Maxim; Savrin, Viktor; Snigirev, Alexander; Azhgirey, Igor; Bayshev, Igor; Bitioukov, Sergei; Kachanov, Vassili; Kalinin, Alexey; Konstantinov, Dmitri; Krychkine, Victor; Petrov, Vladimir; Ryutin, Roman; Sobol, Andrei; Tourtchanovitch, Leonid; Troshin, Sergey; Tyurin, Nikolay; Uzunian, Andrey; Volkov, Alexey; Adzic, Petar; Ekmedzic, Marko; Milosevic, Jovan; Rekovic, Vladimir; Alcaraz Maestre, Juan; Battilana, Carlo; Calvo, Enrique; Cerrada, Marcos; Chamizo Llatas, Maria; Colino, Nicanor; De La Cruz, Begona; Delgado Peris, Antonio; Domínguez Vázquez, Daniel; Escalante Del Valle, Alberto; Fernandez Bedoya, Cristina; Fernández Ramos, Juan Pablo; Flix, Jose; Fouz, Maria Cruz; Garcia-Abia, Pablo; Gonzalez Lopez, Oscar; Goy Lopez, Silvia; Hernandez, Jose M; Josa, Maria Isabel; Navarro De Martino, Eduardo; Pérez-Calero Yzquierdo, Antonio María; Puerta Pelayo, Jesus; Quintario Olmeda, Adrián; Redondo, Ignacio; Romero, Luciano; Senghi Soares, Mara; Albajar, Carmen; de Trocóniz, Jorge F; Missiroli, Marino; Moran, Dermot; Brun, Hugues; Cuevas, Javier; Fernandez Menendez, Javier; Folgueras, Santiago; Gonzalez Caballero, Isidro; Brochero Cifuentes, Javier Andres; Cabrillo, Iban Jose; Calderon, Alicia; Duarte Campderros, Jordi; Fernandez, Marcos; Gomez, Gervasio; Graziano, Alberto; Lopez Virto, Amparo; Marco, Jesus; Marco, Rafael; Martinez Rivero, Celso; Matorras, Francisco; Munoz Sanchez, Francisca Javiela; Piedra Gomez, Jonatan; Rodrigo, Teresa; Rodríguez-Marrero, Ana Yaiza; Ruiz-Jimeno, Alberto; Scodellaro, Luca; Vila, Ivan; Vilar Cortabitarte, Rocio; Abbaneo, Duccio; Auffray, Etiennette; Auzinger, Georg; Bachtis, Michail; Baillon, Paul; Ball, Austin; Barney, David; Benaglia, Andrea; Bendavid, Joshua; Benhabib, Lamia; Benitez, Jose F; Bernet, Colin; Bloch, Philippe; Bocci, Andrea; Bonato, Alessio; Bondu, Olivier; Botta, Cristina; Breuker, Horst; Camporesi, Tiziano; Cerminara, Gianluca; Colafranceschi, Stefano; D'Alfonso, Mariarosaria; D'Enterria, David; Dabrowski, Anne; David Tinoco Mendes, Andre; De Guio, Federico; De Roeck, Albert; De Visscher, Simon; Di Marco, Emanuele; Dobson, Marc; Dordevic, Milos; Dorney, Brian; Dupont-Sagorin, Niels; Elliott-Peisert, Anna; Eugster, Jürg; Franzoni, Giovanni; Funk, Wolfgang; Gigi, Dominique; Gill, Karl; Giordano, Domenico; Girone, Maria; Glege, Frank; Guida, Roberto; Gundacker, Stefan; Guthoff, Moritz; Hammer, Josef; Hansen, Magnus; Harris, Philip; Hegeman, Jeroen; Innocente, Vincenzo; Janot, Patrick; Kousouris, Konstantinos; Krajczar, Krisztian; Lecoq, Paul; Lourenco, Carlos; Magini, Nicolo; Malgeri, Luca; Mannelli, Marcello; Marrouche, Jad; Masetti, Lorenzo; Meijers, Frans; Mersi, Stefano; Meschi, Emilio; Moortgat, Filip; Morovic, Srecko; Mulders, Martijn; Musella, Pasquale; Orsini, Luciano; Pape, Luc; Perez, Emmanuelle; Perrozzi, Luca; Petrilli, Achille; Petrucciani, Giovanni; Pfeiffer, Andreas; Pierini, Maurizio; Pimiä, Martti; Piparo, Danilo; Plagge, Michael; Racz, Attila; Rolandi, Gigi; Rovere, Marco; Sakulin, Hannes; Schäfer, Christoph; Schwick, Christoph; Sharma, Archana; Siegrist, Patrice; Silva, Pedro; Simon, Michal; Sphicas, Paraskevas; Spiga, Daniele; Steggemann, Jan; Stieger, Benjamin; Stoye, Markus; Takahashi, Yuta; Treille, Daniel; Tsirou, Andromachi; Veres, Gabor Istvan; Wardle, Nicholas; Wöhri, Hermine Katharina; Wollny, Heiner; Zeuner, Wolfram Dietrich; Bertl, Willi; Deiters, Konrad; Erdmann, Wolfram; Horisberger, Roland; Ingram, Quentin; Kaestli, Hans-Christian; Kotlinski, Danek; Langenegger, Urs; Renker, Dieter; Rohe, Tilman; Bachmair, Felix; Bäni, Lukas; Bianchini, Lorenzo; Buchmann, Marco-Andrea; Casal, Bruno; Chanon, Nicolas; Dissertori, Günther; Dittmar, Michael; Donegà, Mauro; Dünser, Marc; Eller, Philipp; Grab, Christoph; Hits, Dmitry; Hoss, Jan; Lustermann, Werner; Mangano, Boris; Marini, Andrea Carlo; Martinez Ruiz del Arbol, Pablo; Masciovecchio, Mario; Meister, Daniel; Mohr, Niklas; Nägeli, Christoph; Nessi-Tedaldi, Francesca; Pandolfi, Francesco; Pauss, Felicitas; Peruzzi, Marco; Quittnat, Milena; Rebane, Liis; Rossini, Marco; Starodumov, Andrei; Takahashi, Maiko; Theofilatos, Konstantinos; Wallny, Rainer; Weber, Hannsjoerg Artur; Amsler, Claude; Canelli, Maria Florencia; Chiochia, Vincenzo; De Cosa, Annapaola; Hinzmann, Andreas; Hreus, Tomas; Kilminster, Benjamin; Lange, Clemens; Millan Mejias, Barbara; Ngadiuba, Jennifer; Robmann, Peter; Ronga, Frederic Jean; Taroni, Silvia; Verzetti, Mauro; Yang, Yong; Cardaci, Marco; Chen, Kuan-Hsin; Ferro, Cristina; Kuo, Chia-Ming; Lin, Willis; Lu, Yun-Ju; Volpe, Roberta; Yu, Shin-Shan; Chang, Paoti; Chang, You-Hao; Chang, Yu-Wei; Chao, Yuan; Chen, Kai-Feng; Chen, Po-Hsun; Dietz, Charles; Grundler, Ulysses; Hou, George Wei-Shu; Kao, Kai-Yi; Lei, Yeong-Jyi; Liu, Yueh-Feng; Lu, Rong-Shyang; Majumder, Devdatta; Petrakou, Eleni; Tzeng, Yeng-Ming; Wilken, Rachel; Asavapibhop, Burin; Singh, Gurpreet; Srimanobhas, Norraphat; Suwonjandee, Narumon; Adiguzel, Aytul; Bakirci, Mustafa Numan; Cerci, Salim; Dozen, Candan; Dumanoglu, Isa; Eskut, Eda; Girgis, Semiray; Gokbulut, Gul; Gurpinar, Emine; Hos, Ilknur; Kangal, Evrim Ersin; Kayis Topaksu, Aysel; Onengut, Gulsen; Ozdemir, Kadri; Ozturk, Sertac; Polatoz, Ayse; Sunar Cerci, Deniz; Tali, Bayram; Topakli, Huseyin; Vergili, Mehmet; Akin, Ilina Vasileva; Bilin, Bugra; Bilmis, Selcuk; Gamsizkan, Halil; Karapinar, Guler; Ocalan, Kadir; Sekmen, Sezen; Surat, Ugur Emrah; Yalvac, Metin; Zeyrek, Mehmet; Gülmez, Erhan; Isildak, Bora; Kaya, Mithat; Kaya, Ozlem; Cankocak, Kerem; Vardarli, Fuat Ilkehan; Levchuk, Leonid; Sorokin, Pavel; Brooke, James John; Clement, Emyr; Cussans, David; Flacher, Henning; Goldstein, Joel; Grimes, Mark; Heath, Greg P; Heath, Helen F; Jacob, Jeson; Kreczko, Lukasz; Lucas, Chris; Meng, Zhaoxia; Newbold, Dave M; Paramesvaran, Sudarshan; Poll, Anthony; Senkin, Sergey; Smith, Vincent J; Williams, Thomas; Bell, Ken W; Belyaev, Alexander; Brew, Christopher; Brown, Robert M; Cockerill, David JA; Coughlan, John A; Harder, Kristian; Harper, Sam; Olaiya, Emmanuel; Petyt, David; Shepherd-Themistocleous, Claire; Thea, Alessandro; Tomalin, Ian R; Womersley, William John; Worm, Steven; Baber, Mark; Bainbridge, Robert; Buchmuller, Oliver; Burton, Darren; Colling, David; Cripps, Nicholas; Cutajar, Michael; Dauncey, Paul; Davies, Gavin; Della Negra, Michel; Dunne, Patrick; Ferguson, William; Fulcher, Jonathan; Futyan, David; Gilbert, Andrew; Hall, Geoffrey; Iles, Gregory; Jarvis, Martyn; Karapostoli, Georgia; Kenzie, Matthew; Lane, Rebecca; Lucas, Robyn; Lyons, Louis; Magnan, Anne-Marie; Malik, Sarah; Mathias, Bryn; Nash, Jordan; Nikitenko, Alexander; Pela, Joao; Pesaresi, Mark; Petridis, Konstantinos; Raymond, David Mark; Rogerson, Samuel; Rose, Andrew; Seez, Christopher; Sharp, Peter; Tapper, Alexander; Vazquez Acosta, Monica; Virdee, Tejinder; Zenz, Seth Conrad; Cole, Joanne; Hobson, Peter R; Khan, Akram; Kyberd, Paul; Leggat, Duncan; Leslie, Dawn; Martin, William; Reid, Ivan; Symonds, Philip; Teodorescu, Liliana; Turner, Mark; Dittmann, Jay; Hatakeyama, Kenichi; Kasmi, Azeddine; Liu, Hongxuan; Scarborough, Tara; Charaf, Otman; Cooper, Seth; Henderson, Conor; Rumerio, Paolo; Avetisyan, Aram; Bose, Tulika; Fantasia, Cory; Lawson, Philip; Richardson, Clint; Rohlf, James; St John, Jason; Sulak, Lawrence; Alimena, Juliette; Berry, Edmund; Bhattacharya, Saptaparna; Christopher, Grant; Cutts, David; Demiragli, Zeynep; Dhingra, Nitish; Ferapontov, Alexey; Garabedian, Alex; Heintz, Ulrich; Kukartsev, Gennadiy; Laird, Edward; Landsberg, Greg; Luk, Michael; Narain, Meenakshi; Segala, Michael; Sinthuprasith, Tutanon; Speer, Thomas; Swanson, Joshua; Breedon, Richard; Breto, Guillermo; Calderon De La Barca Sanchez, Manuel; Chauhan, Sushil; Chertok, Maxwell; Conway, John; Conway, Rylan; Cox, Peter Timothy; Erbacher, Robin; Gardner, Michael; Ko, Winston; Lander, Richard; Miceli, Tia; Mulhearn, Michael; Pellett, Dave; Pilot, Justin; Ricci-Tam, Francesca; Searle, Matthew; Shalhout, Shalhout; Smith, John; Squires, Michael; Stolp, Dustin; Tripathi, Mani; Wilbur, Scott; Yohay, Rachel; Cousins, Robert; Everaerts, Pieter; Farrell, Chris; Hauser, Jay; Ignatenko, Mikhail; Rakness, Gregory; Takasugi, Eric; Valuev, Vyacheslav; Weber, Matthias; Burt, Kira; Clare, Robert; Ellison, John Anthony; Gary, J William; Hanson, Gail; Heilman, Jesse; Ivova Rikova, Mirena; Jandir, Pawandeep; Kennedy, Elizabeth; Lacroix, Florent; Long, Owen Rosser; Luthra, Arun; Malberti, Martina; Nguyen, Harold; Olmedo Negrete, Manuel; Shrinivas, Amithabh; Sumowidagdo, Suharyo; Wimpenny, Stephen; Andrews, Warren; Branson, James G; Cerati, Giuseppe Benedetto; Cittolin, Sergio; D'Agnolo, Raffaele Tito; Evans, David; Holzner, André; Kelley, Ryan; Klein, Daniel; Lebourgeois, Matthew; Letts, James; Macneill, Ian; Olivito, Dominick; Padhi, Sanjay; Palmer, Christopher; Pieri, Marco; Sani, Matteo; Sharma, Vivek; Simon, Sean; Sudano, Elizabeth; Tadel, Matevz; Tu, Yanjun; Vartak, Adish; Welke, Charles; Würthwein, Frank; Yagil, Avraham; Barge, Derek; Bradmiller-Feld, John; Campagnari, Claudio; Danielson, Thomas; Dishaw, Adam; Dutta, Valentina; Flowers, Kristen; Franco Sevilla, Manuel; Geffert, Paul; George, Christopher; Golf, Frank; Gouskos, Loukas; Incandela, Joe; Justus, Christopher; Mccoll, Nickolas; Richman, Jeffrey; Stuart, David; To, Wing; West, Christopher; Yoo, Jaehyeok; Apresyan, Artur; Bornheim, Adolf; Bunn, Julian; Chen, Yi; Duarte, Javier; Mott, Alexander; Newman, Harvey B; Pena, Cristian; Rogan, Christopher; Spiropulu, Maria; Timciuc, Vladlen; Vlimant, Jean-Roch; Wilkinson, Richard; Xie, Si; Zhu, Ren-Yuan; Azzolini, Virginia; Calamba, Aristotle; Carlson, Benjamin; Ferguson, Thomas; Iiyama, Yutaro; Paulini, Manfred; Russ, James; Vogel, Helmut; Vorobiev, Igor; Cumalat, John Perry; Ford, William T; Gaz, Alessandro; Luiggi Lopez, Eduardo; Nauenberg, Uriel; Smith, James; Stenson, Kevin; Ulmer, Keith; Wagner, Stephen Robert; Alexander, James; Chatterjee, Avishek; Chu, Jennifer; Dittmer, Susan; Eggert, Nicholas; Mirman, Nathan; Nicolas Kaufman, Gala; Patterson, Juliet Ritchie; Ryd, Anders; Salvati, Emmanuele; Skinnari, Louise; Sun, Werner; Teo, Wee Don; Thom, Julia; Thompson, Joshua; Tucker, Jordan; Weng, Yao; Winstrom, Lucas; Wittich, Peter; Winn, Dave; Abdullin, Salavat; Albrow, Michael; Anderson, Jacob; Apollinari, Giorgio; Bauerdick, Lothar AT; Beretvas, Andrew; Berryhill, Jeffrey; Bhat, Pushpalatha C; Bolla, Gino; Burkett, Kevin; Butler, Joel Nathan; Cheung, Harry; Chlebana, Frank; Cihangir, Selcuk; Elvira, Victor Daniel; Fisk, Ian; Freeman, Jim; Gao, Yanyan; Gottschalk, Erik; Gray, Lindsey; Green, Dan; Grünendahl, Stefan; Gutsche, Oliver; Hanlon, Jim; Hare, Daryl; Harris, Robert M; Hirschauer, James; Hooberman, Benjamin; Jindariani, Sergo; Johnson, Marvin; Joshi, Umesh; Kaadze, Ketino; Klima, Boaz; Kreis, Benjamin; Kwan, Simon; Linacre, Jacob; Lincoln, Don; Lipton, Ron; Liu, Tiehui; Lykken, Joseph; Maeshima, Kaori; Marraffino, John Michael; Martinez Outschoorn, Verena Ingrid; Maruyama, Sho; Mason, David; McBride, Patricia; Merkel, Petra; Mishra, Kalanand; Mrenna, Stephen; Musienko, Yuri; Nahn, Steve; Newman-Holmes, Catherine; O'Dell, Vivian; Prokofyev, Oleg; Sexton-Kennedy, Elizabeth; Sharma, Seema; Soha, Aron; Spalding, William J; Spiegel, Leonard; Taylor, Lucas; Tkaczyk, Slawek; Tran, Nhan Viet; Uplegger, Lorenzo; Vaandering, Eric Wayne; Vidal, Richard; Whitbeck, Andrew; Whitmore, Juliana; Yang, Fan; Acosta, Darin; Avery, Paul; Bortignon, Pierluigi; Bourilkov, Dimitri; Carver, Matthew; Cheng, Tongguang; Curry, David; Das, Souvik; De Gruttola, Michele; Di Giovanni, Gian Piero; Field, Richard D; Fisher, Matthew; Furic, Ivan-Kresimir; Hugon, Justin; Konigsberg, Jacobo; Korytov, Andrey; Kypreos, Theodore; Low, Jia Fu; Matchev, Konstantin; Milenovic, Predrag; Mitselmakher, Guenakh; Muniz, Lana; Rinkevicius, Aurelijus; Shchutska, Lesya; Snowball, Matthew; Sperka, David; Yelton, John; Zakaria, Mohammed; Hewamanage, Samantha; Linn, Stephan; Markowitz, Pete; Martinez, German; Rodriguez, Jorge Luis; Adams, Todd; Askew, Andrew; Bochenek, Joseph; Diamond, Brendan; Haas, Jeff; Hagopian, Sharon; Hagopian, Vasken; Johnson, Kurtis F; Prosper, Harrison; Veeraraghavan, Venkatesh; Weinberg, Marc; Baarmand, Marc M; Hohlmann, Marcus; Kalakhety, Himali; Yumiceva, Francisco; Adams, Mark Raymond; Apanasevich, Leonard; Bazterra, Victor Eduardo; Berry, Douglas; Betts, Russell Richard; Bucinskaite, Inga; Cavanaugh, Richard; Evdokimov, Olga; Gauthier, Lucie; Gerber, Cecilia Elena; Hofman, David Jonathan; Khalatyan, Samvel; Kurt, Pelin; Moon, Dong Ho; O'Brien, Christine; Silkworth, Christopher; Turner, Paul; Varelas, Nikos; Albayrak, Elif Asli; Bilki, Burak; Clarida, Warren; Dilsiz, Kamuran; Duru, Firdevs; Haytmyradov, Maksat; Merlo, Jean-Pierre; Mermerkaya, Hamit; Mestvirishvili, Alexi; Moeller, Anthony; Nachtman, Jane; Ogul, Hasan; Onel, Yasar; Ozok, Ferhat; Penzo, Aldo; Rahmat, Rahmat; Sen, Sercan; Tan, Ping; Tiras, Emrah; Wetzel, James; Yetkin, Taylan; Yi, Kai; Barnett, Bruce Arnold; Blumenfeld, Barry; Bolognesi, Sara; Fehling, David; Gritsan, Andrei; Maksimovic, Petar; Martin, Christopher; Swartz, Morris; Baringer, Philip; Bean, Alice; Benelli, Gabriele; Bruner, Christopher; Kenny III, Raymond Patrick; Malek, Magdalena; Murray, Michael; Noonan, Daniel; Sanders, Stephen; Sekaric, Jadranka; Stringer, Robert; Wang, Quan; Wood, Jeffrey Scott; Chakaberia, Irakli; Ivanov, Andrew; Khalil, Sadia; Makouski, Mikhail; Maravin, Yurii; Saini, Lovedeep Kaur; Shrestha, Shruti; Skhirtladze, Nikoloz; Svintradze, Irakli; Gronberg, Jeffrey; Lange, David; Rebassoo, Finn; Wright, Douglas; Baden, Drew; Belloni, Alberto; Calvert, Brian; Eno, Sarah Catherine; Gomez, Jaime; Hadley, Nicholas John; Kellogg, Richard G; Kolberg, Ted; Lu, Ying; Marionneau, Matthieu; Mignerey, Alice; Pedro, Kevin; Skuja, Andris; Tonjes, Marguerite; Tonwar, Suresh C; Apyan, Aram; Barbieri, Richard; Bauer, Gerry; Busza, Wit; Cali, Ivan Amos; Chan, Matthew; Di Matteo, Leonardo; Gomez Ceballos, Guillelmo; Goncharov, Maxim; Gulhan, Doga; Klute, Markus; Lai, Yue Shi; Lee, Yen-Jie; Levin, Andrew; Luckey, Paul David; Ma, Teng; Paus, Christoph; Ralph, Duncan; Roland, Christof; Roland, Gunther; Stephans, George; Stöckli, Fabian; Sumorok, Konstanty; Velicanu, Dragos; Veverka, Jan; Wyslouch, Bolek; Yang, Mingming; Zanetti, Marco; Zhukova, Victoria; Dahmes, Bryan; Gude, Alexander; Kao, Shih-Chuan; Klapoetke, Kevin; Kubota, Yuichi; Mans, Jeremy; Pastika, Nathaniel; Rusack, Roger; Singovsky, Alexander; Tambe, Norbert; Turkewitz, Jared; Acosta, John Gabriel; Oliveros, Sandra; Avdeeva, Ekaterina; Bloom, Kenneth; Bose, Suvadeep; Claes, Daniel R; Dominguez, Aaron; Gonzalez Suarez, Rebeca; Keller, Jason; Knowlton, Dan; Kravchenko, Ilya; Lazo-Flores, Jose; Malik, Sudhir; Meier, Frank; Snow, Gregory R; Zvada, Marian; Dolen, James; Godshalk, Andrew; Iashvili, Ia; Kharchilava, Avto; Kumar, Ashish; Rappoccio, Salvatore; Alverson, George; Barberis, Emanuela; Baumgartel, Darin; Chasco, Matthew; Haley, Joseph; Massironi, Andrea; Morse, David Michael; Nash, David; Orimoto, Toyoko; Trocino, Daniele; Wang, Ren-Jie; Wood, Darien; Zhang, Jinzhong; Hahn, Kristan Allan; Kubik, Andrew; Mucia, Nicholas; Odell, Nathaniel; Pollack, Brian; Pozdnyakov, Andrey; Schmitt, Michael Henry; Stoynev, Stoyan; Sung, Kevin; Velasco, Mayda; Won, Steven; Brinkerhoff, Andrew; Chan, Kwok Ming; Drozdetskiy, Alexey; Hildreth, Michael; Jessop, Colin; Karmgard, Daniel John; Kellams, Nathan; Lannon, Kevin; Luo, Wuming; Lynch, Sean; Marinelli, Nancy; Pearson, Tessa; Planer, Michael; Ruchti, Randy; Valls, Nil; Wayne, Mitchell; Wolf, Matthias; Woodard, Anna; Antonelli, Louis; Brinson, Jessica; Bylsma, Ben; Durkin, Lloyd Stanley; Flowers, Sean; Hart, Andrew; Hill, Christopher; Hughes, Richard; Kotov, Khristian; Ling, Ta-Yung; Puigh, Darren; Rodenburg, Marissa; Smith, Geoffrey; Winer, Brian L; Wolfe, Homer; Wulsin, Howard Wells; Driga, Olga; Elmer, Peter; Hebda, Philip; Hunt, Adam; Koay, Sue Ann; Lujan, Paul; Marlow, Daniel; Medvedeva, Tatiana; Mooney, Michael; Olsen, James; Piroué, Pierre; Quan, Xiaohang; Saka, Halil; Stickland, David; Tully, Christopher; Werner, Jeremy Scott; Zuranski, Andrzej; Brownson, Eric; Mendez, Hector; Ramirez Vargas, Juan Eduardo; Barnes, Virgil E; Benedetti, Daniele; Bortoletto, Daniela; De Mattia, Marco; Gutay, Laszlo; Hu, Zhen; Jha, Manoj; Jones, Matthew; Jung, Kurt; Kress, Matthew; Leonardo, Nuno; Lopes Pegna, David; Maroussov, Vassili; Miller, David Harry; Neumeister, Norbert; Radburn-Smith, Benjamin Charles; Shi, Xin; Shipsey, Ian; Silvers, David; Svyatkovskiy, Alexey; Wang, Fuqiang; Xie, Wei; Xu, Lingshan; Yoo, Hwi Dong; Zablocki, Jakub; Zheng, Yu; Parashar, Neeti; Stupak, John; Adair, Antony; Akgun, Bora; Ecklund, Karl Matthew; Geurts, Frank JM; Li, Wei; Michlin, Benjamin; Padley, Brian Paul; Redjimi, Radia; Roberts, Jay; Zabel, James; Betchart, Burton; Bodek, Arie; Covarelli, Roberto; de Barbaro, Pawel; Demina, Regina; Eshaq, Yossof; Ferbel, Thomas; Garcia-Bellido, Aran; Goldenzweig, Pablo; Han, Jiyeon; Harel, Amnon; Khukhunaishvili, Aleko; Petrillo, Gianluca; Vishnevskiy, Dmitry; Ciesielski, Robert; Demortier, Luc; Goulianos, Konstantin; Lungu, Gheorghe; Mesropian, Christina; Arora, Sanjay; Barker, Anthony; Chou, John Paul; Contreras-Campana, Christian; Contreras-Campana, Emmanuel; Duggan, Daniel; Ferencek, Dinko; Gershtein, Yuri; Gray, Richard; Halkiadakis, Eva; Hidas, Dean; Kaplan, Steven; Lath, Amitabh; Panwalkar, Shruti; Park, Michael; Patel, Rishi; Salur, Sevil; Schnetzer, Steve; Somalwar, Sunil; Stone, Robert; Thomas, Scott; Thomassen, Peter; Walker, Matthew; Rose, Keith; Spanier, Stefan; York, Andrew; Bouhali, Othmane; Castaneda Hernandez, Alfredo; Eusebi, Ricardo; Flanagan, Will; Gilmore, Jason; Kamon, Teruki; Khotilovich, Vadim; Krutelyov, Vyacheslav; Montalvo, Roy; Osipenkov, Ilya; Pakhotin, Yuriy; Perloff, Alexx; Roe, Jeffrey; Rose, Anthony; Safonov, Alexei; Sakuma, Tai; Suarez, Indara; Tatarinov, Aysen; Akchurin, Nural; Cowden, Christopher; Damgov, Jordan; Dragoiu, Cosmin; Dudero, Phillip Russell; Faulkner, James; Kovitanggoon, Kittikul; Kunori, Shuichi; Lee, Sung Won; Libeiro, Terence; Volobouev, Igor; Appelt, Eric; Delannoy, Andrés G; Greene, Senta; Gurrola, Alfredo; Johns, Willard; Maguire, Charles; Mao, Yaxian; Melo, Andrew; Sharma, Monika; Sheldon, Paul; Snook, Benjamin; Tuo, Shengquan; Velkovska, Julia; Arenton, Michael Wayne; Boutle, Sarah; Cox, Bradley; Francis, Brian; Goodell, Joseph; Hirosky, Robert; Ledovskoy, Alexander; Li, Hengne; Lin, Chuanzhe; Neu, Christopher; Wood, John; Clarke, Christopher; Harr, Robert; Karchin, Paul Edmund; Kottachchi Kankanamge Don, Chamath; Lamichhane, Pramod; Sturdy, Jared; Belknap, Donald; Carlsmith, Duncan; Cepeda, Maria; Dasu, Sridhara; Dodd, Laura; Duric, Senka; Friis, Evan; Hall-Wilton, Richard; Herndon, Matthew; Hervé, Alain; Klabbers, Pamela; Lanaro, Armando; Lazaridis, Christos; Levine, Aaron; Loveless, Richard; Mohapatra, Ajit; Ojalvo, Isabel; Perry, Thomas; Pierro, Giuseppe Antonio; Polese, Giovanni; Ross, Ian; Sarangi, Tapas; Savin, Alexander; Smith, Wesley H; Taylor, Devin; Verwilligen, Piet; Vuosalo, Carl; Woods, Nathaniel

    2015-04-07

    Dimuon and dielectron mass spectra, obtained from data resulting from proton-proton collisions at 8 TeV and recorded by the CMS experiment, are used to search for both narrow resonances and broad deviations from standard model predictions. The data correspond to an integrated luminosity of 20.6 (19.7) fb$^{-1}$ for the dimuon (dielectron) channel. No evidence for non-standard-model physics is observed and 95% confidence level limits are set on parameters from a number of new physics models. The narrow resonance analyses exclude a Sequential Standard Model $\\mathrm{Z'_{SSM}}$ resonance lighter than 2.90 TeV, a superstring-inspired $\\mathrm{Z'_{\\psi}}$ lighter than 2.57 TeV and Randall--Sundrum Kaluza--Klein gravitons with masses below 2.73, 2.35, and 1.27 TeV for couplings of 0.10, 0.05, and 0.01, respectively. A notable feature is that the limits have been calculated in a model-independent way to enable straightforward reinterpretation in any model predicting a resonance structure. The observed events are als...

  19. Identification and analytical characterization of nine synthetic cathinone derivatives N-ethylhexedrone, 4-Cl-pentedrone, 4-Cl-α-EAPP, propylone, N-ethylnorpentylone, 6-MeO-bk-MDMA, α-PiHP, 4-Cl-α-PHP, and 4-F-α-PHP.

    Science.gov (United States)

    Liu, Cuimei; Jia, Wei; Li, Tao; Hua, Zhendong; Qian, Zhenhua

    2017-08-01

    Clinical and forensic toxicology laboratories are continuously confronted by analytical challenges when dealing with the new psychoactive substances (NPS) phenomenon. In this study, the analytical characterization of nine synthetic cathinones is described: 2-(ethylamino)-1-phenylhexan-1-one (N-ethylhexedrone 1), 1-(4-chlorophenyl)-2-(methylamino)pentan-1-one (4-Cl-pentedrone 2), 1-(4-chlorophenyl)-2-(ethylamino)pentan-1-one (4-Cl-α-EAPP 3), 1-(3,4-methylenedioxyphenyl)-2-propylaminopropan-1-one (propylone 4), 1-(3,4-methylenedioxyphenyl)-2-ethylaminopentan-1-one (N-ethylnorpentylone 5), 1-(6-methoxy-3,4-methylenedioxyphenyl)-2-methylaminopropan-1-one (6-MeO-bk-MDMA 6), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP 7), 1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-Cl-α-PHP 8), and 1-(4-fluorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-F-α-PHP 9). The identification was based on ultra-high-performance liquid chromatography-quadrupole time-of-flight-mass spectrometry (UHPLC-QTOF-MS), gas chromatography-mass spectrometry (GC-MS), and nuclear magnetic resonance (NMR) spectroscopy. The mass-spectral fragmentations of these compounds following collision-induced dissociation (CID) and electron ionization (EI) were studied to assist forensic laboratories in identifying these compounds or other substances with similar structure in their case work. To our knowledge, no analytical data about the compounds 1-4, 7, and 8 have appeared until now, making this the first report on these compounds. The GC-MS data of 5, 6 and 9 has been reported, but this study added the LC-MS, Fourier Transform Infrared (FTIR) and NMR data for additional characterization. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  20. Hydrogenolysis and Activation of Soda Lignin Using [BMIM]Cl as a Catalyst and Solvent

    Directory of Open Access Journals (Sweden)

    Shengming Zhang

    2017-07-01

    Full Text Available To improve the reactivity of the soda lignin, an acid ionic liquid 1-butyl-3-mthylimidazolium chloride ([BMIM]Cl was used as the catalyst and solvent to degrade the soda lignin through hydrogenolysis. Structural elucidation of the lignin samples was conducted by using a combination of analytical methods including chemical analysis, ultraviolet spectrophotometry (UV spectrophotometry, Fourier transform infrared spectroscopy (FT-IR spectra, two-dimensional heteronuclear single quantum coherence nuclear magnetic resonance (2D-HSQC NMR techniques, and gel permeation chromatography (GPC. The antioxidant activities of the lignin samples were evaluated using the diammonium 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonate (ABTS+ radical scavenging and 1,1-diphenyl-2-picrylhydrazyl (DPPH radical scavenging methods. The degradation mechanism was proposed based on the characterization results. The optimal reaction condition was as follows: the concentration of [BMIM]Cl in the solution was 10 wt %, the hydrogen initial pressure was 3 MPa, and the solution was heated for 4 h at 90 °C. After the reaction, the total hydroxyl content of the soda lignin increased by 81.3%, while the phenolic hydroxyl content increased by 23.1%. At the same time, the weight-average molar mass of the soda lignin sample decreased from 8220 to 6450 g/mol with an improved antioxidant activity. In addition, approximately 56.7% of the β-O-4 linkages were degraded in the lreaction. The main effect of the acid ionic liquid [BMIM]C1 was related to the cleavage of β-O-4 linkages. This study has shown the potential of using the catalyzed soda lignin as a natural polymer antioxidant.

  1. Constructing theoretical M-shell spectra for Mg-like Au through Cl-like Au ions in gold plasma diagnostics

    International Nuclear Information System (INIS)

    Hamasha, Safeia; Alshaiub, Rania

    2012-01-01

    The theoretical atomic structure and spectra data for electric dipole transitions in six gold ions (Au 67+ through Au 62+ ) are produced using the flexible atomic code (FAC). The produced data contain energy levels, radiative transition rates and oscillator strengths with Δn≠0 (n = 3 → 4, 5, 6, 7). All M-shell strong lines for the six gold ions are also identified. The produced data and constructed spectra revealed the presence of a wide variety of ionization stages of Au with several blended spectral lines in the spectral range (1.7-4.4 Å). Calculated energy levels are compared against published values, which were calculated using the multi-reference many body perturbation theory that includes higher order quantum electrodynamics corrections effects. Favorable agreement with <0.26% difference was observed.

  2. Determination and systematics of excitation functions for the production of {sup 36}Cl by means of AMS

    Energy Technology Data Exchange (ETDEWEB)

    Sudbrock, F.; Herpers, U. [Koeln Univ. (Germany); Synal, H.A. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Suter, M. [Eidgenoessische Technische Hochschule, Zurich (Switzerland); Gloris, M.; Michel, R. [Hannover Univ. (Germany)

    1997-09-01

    Studies concerning the production of the long-lived radionuclides {sup 10}Be, {sup 26}Al and {sup 36}Cl measured via accelerator mass spectrometry have been continued. Recently measured data on the production of {sup 36}Cl by medium and high energy protons are discussed. (author) 1 figs., 4 refs.

  3. Spectrum image analysis tool - A flexible MATLAB solution to analyze EEL and CL spectrum images.

    Science.gov (United States)

    Schmidt, Franz-Philipp; Hofer, Ferdinand; Krenn, Joachim R

    2017-02-01

    Spectrum imaging techniques, gaining simultaneously structural (image) and spectroscopic data, require appropriate and careful processing to extract information of the dataset. In this article we introduce a MATLAB based software that uses three dimensional data (EEL/CL spectrum image in dm3 format (Gatan Inc.'s DigitalMicrograph ® )) as input. A graphical user interface enables a fast and easy mapping of spectral dependent images and position dependent spectra. First, data processing such as background subtraction, deconvolution and denoising, second, multiple display options including an EEL/CL moviemaker and, third, the applicability on a large amount of data sets with a small work load makes this program an interesting tool to visualize otherwise hidden details. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. 20 years of ClO measurements in the Antarctic lower stratosphere

    Directory of Open Access Journals (Sweden)

    G. E. Nedoluha

    2016-08-01

    Full Text Available We present 20 years (1996–2015 of austral springtime measurements of chlorine monoxide (ClO over Antarctica from the Chlorine Oxide Experiment (ChlOE1 ground-based millimeter wave spectrometer at Scott Base, Antarctica, as well 12 years (2004–2015 of ClO measurements from the Aura Microwave Limb Sounder (MLS. From August onwards we observe a strong increase in lower stratospheric ClO, with a peak column amount usually occurring in early September. From mid-September onwards we observe a strong decrease in ClO. In order to study interannual differences, we focus on a 3-week period from 28 August to 17 September for each year and compare the average column ClO anomalies. These column ClO anomalies are shown to be highly correlated with the average ozone mass deficit for September and October of each year. We also show that anomalies in column ClO are strongly anti-correlated with 30 hPa temperature anomalies, both on a daily and an interannual timescale. Making use of this anti-correlation we calculate the linear dependence of the interannual variations in column ClO on interannual variations in temperature. By making use of this relationship, we can better estimate the underlying trend in the total chlorine (Cly  =  HCl + ClONO2 + HOCl + 2  ×  Cl2 + 2  ×  Cl2O2 + ClO + Cl. The resultant trends in Cly, which determine the long-term trend in ClO, are estimated to be −0.5 ± 0.2, −1.4 ± 0.9, and −0.6 ± 0.4 % year−1, for zonal MLS, Scott Base MLS (both 2004–2015, and ChlOE (1996–2015 respectively. These trends are within 1σ of trends in stratospheric Cly previously found at other latitudes. The decrease in ClO is consistent with the trend expected from regulations enacted under the Montreal Protocol.

  5. On statistical fluctuations in the dibaryon spectra

    International Nuclear Information System (INIS)

    Bazhanskij, I.I.; Luk'yanov, V.K.; Reznik, B.L.; Titov, A.I.

    1988-01-01

    The aim of this report is to show, that idea about statistical nature of dibaryon resonances corresponds to the present experimental data. Condition for cross section fluctuation occurrence is linked with value of decay width for isolated dibaryon in nucleon channel. Γ in terms of dibaryon potential quark model and q 6 → NN dibaryon decay for q 6 state with S 6 orbital symmetry and (S=I, I=0) deuteron quantum numbers are calculated as an example. np → ppπ - , dp → ppn and elastic pp-scattering are considered and distributions of cross sections and correlation functions obtained from these reactions are presented to investigate cross section fluctuations in spectra of effective masses of two-nucleon systems. Supposition about fluctuation pattern does not contradict the experiment. Curves, calculated with x l α < or approx. 0.05 partial amplitude parameter and full width of Γ < or approx. 20 MeV dibaryon resonances comply to the present experiment best. Fluctuation peculiarities -peaks in cross sections have approximately the same energy width (Γ ∼ 15-20 MeV) as the observed narrow peak in effective mass spectra of some reactions. 16 refs.; 3 figs

  6. Thermoluminescence and recovery processes in pure and doped NaCl after 20 K irradiation

    International Nuclear Information System (INIS)

    Lopez, F.J.; Aguilar, M.; Jaque, F.; Agullo-Lopez, F.

    1980-01-01

    The thermoluminescence (TL) spectra after X-ray irradiation at 20 K have been investigated for pure as well as divalent cation doped NaCl. The F-centre decay has also been determined in pure and Ca and Mg doped NaCl for comparison purposes. A clear decrease in F-centre concentration appears to correlate with glow peaks at 44 and 50 K for pure and Ca-doped samples. Main glow peak appearing at 69 K is not associated to any appreciable F-centre decay step. Below liquid nitrogen temperature (LNT) all peaks show both σ and π exciton emission bands. Above LNT, the glow peaks for doped samples show the σ emission together with another band at 410 nm, whereas pure samples still present the intrinsic emission bands. (author)

  7. Synthetic oligomer analysis using atmospheric pressure photoionization mass spectrometry at different photon energies

    International Nuclear Information System (INIS)

    Desmazières, Bernard; Legros, Véronique; Giuliani, Alexandre; Buchmann, William

    2014-01-01

    Graphical abstract: Atmospheric pressure photoIonization mass spectra of synthetic oligomers were recorded in the negative mode by varying the photon energy using synchrotron radiation. Photon energy required for an efficient ionization of the polymer was correlated to ionization potential of the solvent (for example 9.4 eV for tetrahydrofuran). -- Highlights: •Atmospheric pressure photoionization was performed using synchrotron radiation. •Photoionization of oligomers in THF with 10% CH 2 Cl 2 produces intact [M + Cl] − ions. •The photon energy required corresponds to ionization potential of the solvent. •Polymer distributions depend on source parameters such T °C and applied voltages. •Liquid chromatography was coupled to MS using an APPI interface for polymer analysis. -- Abstract: Atmospheric pressure photoionization (APPI) followed by mass spectrometric detection was used to ionize a variety of polymers: polyethylene glycol, polymethyl methacrylate, polystyrene, and polysiloxane. In most cases, whatever the polymer or the solvent used (dichloromethane, tetrahydrofuran, hexane, acetone or toluene), only negative ion mode produced intact ions such as chlorinated adducts, with no or few fragmentations, in contrast to the positive ion mode that frequently led to important in-source fragmentations. In addition, it was shown that optimal detection of polymer distributions require a fine tuning of other source parameters such as temperature and ion transfer voltage. Series of mass spectra were recorded in the negative mode, in various solvents (dichloromethane, tetrahydrofuran, hexane, toluene, and acetone), by varying the photon energy from 8 eV up to 10.6 eV using synchrotron radiation. To these solvents, addition of a classical APPI dopant (toluene or acetone) was not necessary. Courtesy of the synchrotron radiation, it was demonstrated that the photon energy required for an efficient ionization of the polymer was correlated to the ionization energy

  8. Synthetic oligomer analysis using atmospheric pressure photoionization mass spectrometry at different photon energies

    Energy Technology Data Exchange (ETDEWEB)

    Desmazières, Bernard [Global Bioenergies, 5 rue Henri Desbruyeres, 91030 Evry (France); Legros, Véronique [CNRS, UMR8587, Université d’Evry-Val-d’Essonne, Laboratoire Analyse et Modélisation pour la Biologie et l’Environnement, F-91025 Evry (France); Giuliani, Alexandre [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette (France); UAR1008, CEPIA, INRA, Rue de la Geraudiere, F-44316 Nantes (France); Buchmann, William, E-mail: william.buchmann@univ-evry.fr [CNRS, UMR8587, Université d’Evry-Val-d’Essonne, Laboratoire Analyse et Modélisation pour la Biologie et l’Environnement, F-91025 Evry (France)

    2014-01-15

    Graphical abstract: Atmospheric pressure photoIonization mass spectra of synthetic oligomers were recorded in the negative mode by varying the photon energy using synchrotron radiation. Photon energy required for an efficient ionization of the polymer was correlated to ionization potential of the solvent (for example 9.4 eV for tetrahydrofuran). -- Highlights: •Atmospheric pressure photoionization was performed using synchrotron radiation. •Photoionization of oligomers in THF with 10% CH{sub 2}Cl{sub 2} produces intact [M + Cl]{sup −} ions. •The photon energy required corresponds to ionization potential of the solvent. •Polymer distributions depend on source parameters such T °C and applied voltages. •Liquid chromatography was coupled to MS using an APPI interface for polymer analysis. -- Abstract: Atmospheric pressure photoionization (APPI) followed by mass spectrometric detection was used to ionize a variety of polymers: polyethylene glycol, polymethyl methacrylate, polystyrene, and polysiloxane. In most cases, whatever the polymer or the solvent used (dichloromethane, tetrahydrofuran, hexane, acetone or toluene), only negative ion mode produced intact ions such as chlorinated adducts, with no or few fragmentations, in contrast to the positive ion mode that frequently led to important in-source fragmentations. In addition, it was shown that optimal detection of polymer distributions require a fine tuning of other source parameters such as temperature and ion transfer voltage. Series of mass spectra were recorded in the negative mode, in various solvents (dichloromethane, tetrahydrofuran, hexane, toluene, and acetone), by varying the photon energy from 8 eV up to 10.6 eV using synchrotron radiation. To these solvents, addition of a classical APPI dopant (toluene or acetone) was not necessary. Courtesy of the synchrotron radiation, it was demonstrated that the photon energy required for an efficient ionization of the polymer was correlated to the

  9. Using isotope 36Cl to study utilization of Cl by crops and distribution and movement of Cl in soil

    International Nuclear Information System (INIS)

    Pan Jiarong; Wen Xianfang; Tang Nianxin

    1991-06-01

    Results from using isotope 36 Cl show that a large quantity of Cl is absorbed and utilized by spring wheat, cotton and tobacco from the chloride fertilizers. The utilization coefficient of Cl increases with the growing time of plants and reaches peak at mature stage. The utilization coefficient of above plants are 26.72%, 3317% and 26.19% respectively. The absorption and utilization of residual Cl in soil is much smaller than that in fertilizers, and the utilization coefficient is decreasing with the increasing of growth season. For spring wheat, utilization coefficient is 12.7% in second season and 9.3% in third season. The ability of absorbing and utilizing Cl from organic materials by crops is very low and the utilization coefficient is 10% or less, that depends on circumstances. For rice the utilization coefficient is 3.1% in dry land and 24.3% in flooded land. The distribution of absorbed Cl is mainly in stalk, a little in husk and a few in seeds and roots. After irrigating water it is equivalent to 9.1 mm of rainfall in soil, the Cl moves rapidly to depth 10∼12 cm. Cl moves faster in porous soil than in clay soil, and faster in horizontal direction than in vertical direction

  10. Thermodynamic properties of thulium and ytterbium in fused NaCl-KCl-CsCl eutectic

    Energy Technology Data Exchange (ETDEWEB)

    Novoselova, A., E-mail: A.Novoselova@ihte.uran.ru [Institute of High-Temperature Electrochemistry, Ural Division, Russian Academy of Science, S. Kovalevskaya Str., 22, Ekaterinburg 620990 (Russian Federation); Smolenski, V. [Institute of High-Temperature Electrochemistry, Ural Division, Russian Academy of Science, S. Kovalevskaya Str., 22, Ekaterinburg 620990 (Russian Federation)

    2011-07-15

    Research highlights: > Tm and Yb chloride compounds as fission products. > The investigation of electrochemical properties of lanthanides. > Determination of the apparent standard redox potentials of the couple Ln(III)/Ln(II) in fused NaCl-KCl-CsCl eutectic at (823 to 973) K. > The calculation of the basic thermodynamic properties of redox reaction in molten salt. - Abstract: This work presents the results of a study of the Tm{sup 3+}/Tm{sup 2+} and Yb{sup 3+}/Yb{sup 2+} couple redox potentials vs. Cl{sup -}/Cl{sub 2} reference electrode at the temperature range (823 to 973) K in fused NaCl-KCl-CsCl eutectic by direct potentiometric method. Initial concentrations of TmCl{sub 3} and YbCl{sub 3} in solvents did not exceed 5.0 mol%. Basic thermodynamic properties of the reactions TmCl{sub 2(l)} + 1/2 Cl{sub 2(g)} {r_reversible} TmCl{sub 3(l)} and YbCl{sub 2(l)} + 1/2 Cl{sub 2(g)} {r_reversible} YbCl{sub 3(l)} were calculated using the temperature dependencies of apparent standard potentials of the couples E{sub Tm{sup 3+}/Tm{sup 2+*}} and E{sub Yb{sup 3+}/Yb{sup 2+*}}.

  11. cl-Supercontinuous Functions

    Directory of Open Access Journals (Sweden)

    D. Singh

    2007-10-01

    Full Text Available Basic properties of cl-supercontinuity, a strong variant of continuity, due to Reilly and Vamanamurthy [Indian J. Pure Appl. Math., 14 (1983, 767–772], who call such maps clopen continuous, are studied. Sufficient conditions on domain or range for a continuous function to be cl-supercontinuous are observed. Direct and inverse transfer of certain topological properties under cl-supercontinuous functions are studied and existence or nonexistence of certain cl-supercontinuous function with specified domain or range is outlined.

  12. First remote sensing measurements of ClOOCl along with ClO and ClONO2 in activated and deactivated Arctic vortex conditions using new ClOOCl IR absorption cross sections

    Directory of Open Access Journals (Sweden)

    M. Birk

    2010-02-01

    Full Text Available Active chlorine species play a dominant role in the catalytic destruction of stratospheric ozone in the polar vortices during the late winter and early spring seasons. Recently, the correct understanding of the ClO dimer cycle was challenged by the release of new laboratory absorption cross sections (Pope et al., 2007 yielding significant model underestimates of observed ClO and ozone loss (von Hobe et al., 2007. Under this aspect, nocturnal Arctic stratospheric limb emission measurements carried out by the balloon version of the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS-B from Kiruna (Sweden on 11 January 2001 and 20/21 March 2003 have been reanalyzed with regard to the chlorine reservoir species ClONO2 and the active species, ClO and ClOOCl (Cl2O2. New laboratory measurements of IR absorption cross sections of ClOOCl for various temperatures and pressures allowed for the first time the retrieval of ClOOCl mixing ratios from remote sensing measurements. High values of active chlorine (ClOx of roughly 2.3 ppbv at 20 km were observed by MIPAS-B in the cold mid-winter Arctic vortex on 11 January 2001. While nighttime ClOOCl shows enhanced values of nearly 1.1 ppbv at 20 km, ClONO2 mixing ratios are less than 0.1 ppbv at this altitude. In contrast, high ClONO2 mixing ratios of nearly 2.4 ppbv at 20 km have been observed in the late winter Arctic vortex on 20 March 2003. No significant ClOx amounts are detectable on this date since most of the active chlorine has already recovered to its main reservoir species ClONO2. The observed values of ClOx and ClONO2 are in line with the established polar chlorine chemistry. The thermal equilibrium constants between the dimer formation and its dissociation, as derived from the balloon measurements, are on the lower side of reported data and in good agreement with values recommended by von Hobe et al. (2007. Calculations with the ECHAM/MESSy Atmospheric Chemistry model (EMAC using

  13. Quantitative analysis of the hydration of lithium salts in water using multivariate curve resolution of near-infrared spectra

    International Nuclear Information System (INIS)

    Barba, M. Isabel; Larrechi, M. Soledad; Coronas, Alberto

    2016-01-01

    The hydration process of lithium iodide, lithium bromide, lithium chloride and lithium nitrate in water was analyzed quantitatively by applying multivariate curve resolution alternating least squares (MCR-ALS) to their near infrared spectra recorded between 850 nm and 1100 nm. The experiments were carried out using solutions with a salt mass fraction between 0% and 72% for lithium bromide, between 0% and 67% for lithium nitrate and between 0% and 62% for lithium chloride and lithium iodide at 323.15 K, 333.15 K, 343.15 K and 353.15 K, respectively. Three factors were determined for lithium bromide and lithium iodide and two factors for the lithium chloride and lithium nitrate by singular value decomposition (SVD) of their spectral data matrices. These factors are associated with various chemical environments in which there are aqueous clusters containing the ions of the salts and non-coordinated water molecules. Spectra and concentration profiles of non-coordinated water and cluster aqueous were retrieved by MCR-ALS. The amount of water involved in the process of hydration of the various salts was quantified. The results show that the water absorption capacity increases in the following order LiI < LiBr < LiNO_3 < LiCl. The salt concentration at which there is no free water in the medium was calculated at each one of the temperatures considered. The values ranged between 62.6 and 65.1% for LiBr, 45.5–48.3% for LiCl, 60.4–61.2% for LiI and 60.3–63.7% for LiNO_3. These values are an initial approach to determining the concentration as from which crystal formation is favored. - Highlights: • Quantitative analysis of the hydration of lithium salts in water. • The absorption capacity of the electrolytes in function of the salt is evaluated. • The lithium salt concentration is estimated when the crystal formation is favored.

  14. Quantitative analysis of the hydration of lithium salts in water using multivariate curve resolution of near-infrared spectra

    Energy Technology Data Exchange (ETDEWEB)

    Barba, M. Isabel [Group of Research in Applied Thermal Engineering-CREVER, Mechanical Engineering Dept. (Spain); Larrechi, M. Soledad, E-mail: mariasoledad.larrechi@urv.cat [Analytical and Organic Chemistry Dept., Universitat Rovira i Virgili, Tarragona (Spain); Coronas, Alberto [Group of Research in Applied Thermal Engineering-CREVER, Mechanical Engineering Dept. (Spain)

    2016-05-05

    The hydration process of lithium iodide, lithium bromide, lithium chloride and lithium nitrate in water was analyzed quantitatively by applying multivariate curve resolution alternating least squares (MCR-ALS) to their near infrared spectra recorded between 850 nm and 1100 nm. The experiments were carried out using solutions with a salt mass fraction between 0% and 72% for lithium bromide, between 0% and 67% for lithium nitrate and between 0% and 62% for lithium chloride and lithium iodide at 323.15 K, 333.15 K, 343.15 K and 353.15 K, respectively. Three factors were determined for lithium bromide and lithium iodide and two factors for the lithium chloride and lithium nitrate by singular value decomposition (SVD) of their spectral data matrices. These factors are associated with various chemical environments in which there are aqueous clusters containing the ions of the salts and non-coordinated water molecules. Spectra and concentration profiles of non-coordinated water and cluster aqueous were retrieved by MCR-ALS. The amount of water involved in the process of hydration of the various salts was quantified. The results show that the water absorption capacity increases in the following order LiI < LiBr < LiNO{sub 3} < LiCl. The salt concentration at which there is no free water in the medium was calculated at each one of the temperatures considered. The values ranged between 62.6 and 65.1% for LiBr, 45.5–48.3% for LiCl, 60.4–61.2% for LiI and 60.3–63.7% for LiNO{sub 3}. These values are an initial approach to determining the concentration as from which crystal formation is favored. - Highlights: • Quantitative analysis of the hydration of lithium salts in water. • The absorption capacity of the electrolytes in function of the salt is evaluated. • The lithium salt concentration is estimated when the crystal formation is favored.

  15. Dissociation mechanism of HNIW ions investigated by chemical ionization and electron impact mass spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Rongjie; Xiao, Hemiao [School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China)

    2006-04-15

    Chemical Ionization (CI) with Collision-Induced Dissociation (CID) spectroscopy and Electron Impacting (EI) with metastable Mass analyzed Ion Kinetic Energy (MIKE) spectroscopy have been applied to study ionic dissociations of Hexanitrohexaazaisowurtzitane (HNIW). Similarities and differences between EI/MIKE and CI/CID mass spectra of HNIW were analyzed. In EI mass spectra, the ions [HNIW-n NO{sub 2}]{sup +} (n=2-5), such as the ion at m/z 347, were less frequent (1-2% relative abundance), but in CI mass spectra, these ions were very abundant. For some ions of large molar mass from HNIW, their dissociations pathways from parent ions to daughter ions were built according to CID and MIKE spectra. Molecular ions of HNIW with a protonated nitro group at five-member ring seem more stable than at six-member ring. The HNIW ions losing five of six nitro groups are very stable based on CID spectra, which agrees with some research results for thermal decomposition of HNIW in literature. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  16. Electrical conductivity of H2O-NaCl fluids to 10 kbar

    Science.gov (United States)

    Sinmyo, R.; Keppler, H.

    2016-12-01

    Magnetotelluric studies often reveal zones of elevated electrical conductivity in the mantle wedge above subducting slabs, in the deep crust below fold belts, or below active volcanoes. Since both aqueous fluids and hydrous silivate melts may be highly conductive, they may both account for these observations. Distinguishing between these two posssibilities, however, is difficult. One reason for this problem is that while there are very good conductivity data for silicate melts, such data do not exist for aqueous fluids under the relevant conditions of pressure, temperature and solute concentration. Most crustal and mantle fluids likely contain some NaCl, which greatly enhances conductivity due to its partial dissociation into Na+ and Cl-. We therefore studied the electrical conductivity of 0.01, 0.1 and 1 m NaCl solutions in water to 10 kbar and 600 °C. The measurements were carried out in externally-heated diamond cells containing two gaskets separated by an insulating ring of diamond, following a method described by Ni et al. (2014). The two gaskets were used as electrodes and full impedance spectra were measured from 30 Hz to 10 MHz using a Solartron 1260 impedance analyzer. Electrical conductivity was generally found to increase with pressure temperature, and fluid density. The conductivity increase observed upon variation of NaCl concentration from 0.1m to 1m was smaller than from 0.01m to 0.1m, which reflects the reduced degree of dissociation at high NaCl concentration. In general, the data show that already a very small fraction of NaCl-bearing aqueous fluid is sufficient to enhance bulk conductivities to values that would be expected for a high degree of partial melting. Accordingly, aqueous fluids may be distinguished from hydrous melts by comparing magnetotelluric and seismic data. H2O-NaCl fluids may enhance electrical conductivities with little disturbance of vp or vp/vs ratios.

  17. Spectra of fluorinated rare earth β-diketonates with added ligands

    International Nuclear Information System (INIS)

    Khomenko, V.S.; Lozinskij, M.O.; Fialkov, Yu.A.; Rasshinina, T.A.; Krasovskaya, L.I.; AN Ukrainskoj SSR, Kiev. Inst. Organicheskoj Khimii)

    1984-01-01

    Different-ligand rare earth complexes are synthesized. Fluorated β-diketones, triethylphosphine oxide and trifluoracetic acid are used as active ligands. Mass-spectra of low and high resolution are taken at the energy of ionizing electrons of 70 eV, as well as luminescence spectra of complexes. Fragmentation ways of complexes decomposition under electron shock are studied. A series of changing the bound strength of additional ligands with europium in mixed complexes is determined. It is shown that the introduction of additional ligands can purposefully change physical and chemical properties of complexes

  18. Spectra of fluorinated rare earth. beta. -diketonates with added ligands

    Energy Technology Data Exchange (ETDEWEB)

    Khomenko, V.S.; Lozinskij, M.O.; Fialkov, Yu.A.; Rasshinina, T.A.; Krasovskaya, L.I. (AN Belorusskoj SSR, Minsk. Inst. Fiziki; AN Ukrainskoj SSR, Kiev. Inst. Organicheskoj Khimii)

    1984-01-01

    Different-ligand rare earth complexes are synthesized. Fluorated ..beta..-diketones, triethylphosphine oxide and trifluoracetic acid are used as active ligands. Mass-spectra of low and high resolution are taken at the energy of ionizing electrons of 70 eV, as well as luminescence spectra of complexes. Fragmentation ways of complexes decomposition under electron shock are studied. A series of changing the bound strength of additional ligands with europium in mixed complexes is determined. It is shown that the introduction of additional ligands can purposefully change physical and chemical properties of complexes.

  19. Observational and theoretical spectra of supernovae

    Science.gov (United States)

    Wheeler, J. Craig; Swartz, Douglas A.; Harkness, Robert P.

    1993-05-01

    Progress in nuclear astrophysics by means of quantitative supernova spectroscopy is discussed with special concentration on type Ia, Ib and Ic and on SN 1987A. Spectral calculations continue to support an exploding C/O white dwarf as the best model of a SN Ia. Deflagration model W7 produces good maximum light spectra of SN Ia and seems to have a better composition distribution compared to delayed detonation models, but proper treatment of opacity remains a problem and the physical basis of SN Ia explosions is still not completely understood. All models for SN Ia predict large quantities of 56Co in the ejecta, but it is not clear that observations confirm this. Although the evolutionary origin of SN Ia remains uncertain, there is recent evidence that transfer of hydrogen in a binary system may be involved, as long suspected. There has been progress in comparing dynamical models with the optical/IR spectra of SN 1987A. The evolution of the [OI] λλ6300, 6364 feature and the presence of strong persistent HeI λ10 830 indicate that both the envelope and core material contribute substantially to the formation of emission lines in the nebular phase and that neither the core nor the envelope can be neglected. Blending with nearby hydrogen lines may affect both of these spectral features, thereby complicating the analysis of the lines. The effects of continuum transfer and photoionization have been included and are under study. The discrepancies between theoretical and observed spectra are due primarily to the one-dimensional hydrodynamic models. The spectral data are not consistent with the high density ``spike'' (in radial coordinate) of the core material that is predicted by all such models. Analysis of the light curves of SN Ib and SN Ic supernovae implies that there are significant differences in their physical properties. Some SN Ib have considerably more ejecta mass than SN Ic events. SN Ib require He-rich atmospheres to produce the observed strong optical lines of

  20. Search for narrow resonances and quantum black holes in inclusive and b-tagged dijet mass spectra from pp collisions at $\\sqrt{s}$ = 7 TeV

    CERN Document Server

    Chatrchyan, Serguei; Sirunyan, Albert M; Tumasyan, Armen; Adam, Wolfgang; Aguilo, Ernest; Bergauer, Thomas; Dragicevic, Marko; Erö, Janos; Fabjan, Christian; Friedl, Markus; Fruehwirth, Rudolf; Ghete, Vasile Mihai; Hörmann, Natascha; Hrubec, Josef; Jeitler, Manfred; Kiesenhofer, Wolfgang; Knünz, Valentin; Krammer, Manfred; Krätschmer, Ilse; Liko, Dietrich; Mikulec, Ivan; Pernicka, Manfred; Rabady, Dinyar; Rahbaran, Babak; Rohringer, Christine; Rohringer, Herbert; Schöfbeck, Robert; Strauss, Josef; Taurok, Anton; Waltenberger, Wolfgang; Wulz, Claudia-Elisabeth; Mossolov, Vladimir; Shumeiko, Nikolai; Suarez Gonzalez, Juan; Alderweireldt, Sara; Bansal, Monika; Bansal, Sunil; Cornelis, Tom; De Wolf, Eddi A; Janssen, Xavier; Luyckx, Sten; Mucibello, Luca; Ochesanu, Silvia; Roland, Benoit; Rougny, Romain; Van Haevermaet, Hans; Van Mechelen, Pierre; Van Remortel, Nick; Van Spilbeeck, Alex; Blekman, Freya; Blyweert, Stijn; D'Hondt, Jorgen; Gonzalez Suarez, Rebeca; Kalogeropoulos, Alexis; Maes, Michael; Olbrechts, Annik; Tavernier, Stefaan; Van Doninck, Walter; Van Mulders, Petra; Van Onsem, Gerrit Patrick; Villella, Ilaria; Clerbaux, Barbara; De Lentdecker, Gilles; Dero, Vincent; Gay, Arnaud; Hreus, Tomas; Léonard, Alexandre; Marage, Pierre Edouard; Mohammadi, Abdollah; Reis, Thomas; Thomas, Laurent; Vander Velde, Catherine; Vanlaer, Pascal; Wang, Jian; Adler, Volker; Beernaert, Kelly; Cimmino, Anna; Costantini, Silvia; Garcia, Guillaume; Grunewald, Martin; Klein, Benjamin; Lellouch, Jérémie; Marinov, Andrey; Mccartin, Joseph; Ocampo Rios, Alberto Andres; Ryckbosch, Dirk; Sigamani, Michael; Strobbe, Nadja; Thyssen, Filip; Tytgat, Michael; Walsh, Sinead; Yazgan, Efe; Zaganidis, Nicolas; Basegmez, Suzan; Bruno, Giacomo; Castello, Roberto; Ceard, Ludivine; Delaere, Christophe; Du Pree, Tristan; Favart, Denis; Forthomme, Laurent; Giammanco, Andrea; Hollar, Jonathan; Lemaitre, Vincent; Liao, Junhui; Militaru, Otilia; Nuttens, Claude; Pagano, Davide; Pin, Arnaud; Piotrzkowski, Krzysztof; Selvaggi, Michele; Vizan Garcia, Jesus Manuel; Beliy, Nikita; Caebergs, Thierry; Daubie, Evelyne; Hammad, Gregory Habib; Alves, Gilvan; Correa Martins Junior, Marcos; Martins, Thiago; Pol, Maria Elena; Henrique Gomes E Souza, Moacyr; Aldá Júnior, Walter Luiz; Carvalho, Wagner; Chinellato, Jose; Custódio, Analu; Melo Da Costa, Eliza; De Jesus Damiao, Dilson; De Oliveira Martins, Carley; Fonseca De Souza, Sandro; Malbouisson, Helena; Malek, Magdalena; Matos Figueiredo, Diego; Mundim, Luiz; Nogima, Helio; Prado Da Silva, Wanda Lucia; Santoro, Alberto; Soares Jorge, Luana; Sznajder, Andre; Tonelli Manganote, Edmilson José; Vilela Pereira, Antonio; Souza Dos Anjos, Tiago; Bernardes, Cesar Augusto; De Almeida Dias, Flavia; Tomei, Thiago; De Moraes Gregores, Eduardo; Lagana, Caio; Da Cunha Marinho, Franciole; Mercadante, Pedro G; Novaes, Sergio F; Padula, Sandra; Genchev, Vladimir; Iaydjiev, Plamen; Piperov, Stefan; Rodozov, Mircho; Stoykova, Stefka; Sultanov, Georgi; Tcholakov, Vanio; Trayanov, Rumen; Vutova, Mariana; Dimitrov, Anton; Hadjiiska, Roumyana; Kozhuharov, Venelin; Litov, Leander; Pavlov, Borislav; Petkov, Peicho; Bian, Jian-Guo; Chen, Guo-Ming; Chen, He-Sheng; Jiang, Chun-Hua; Liang, Dong; Liang, Song; Meng, Xiangwei; Tao, Junquan; Wang, Jian; Wang, Xianyou; Wang, Zheng; Xiao, Hong; Xu, Ming; Zang, Jingjing; Zhang, Zhen; Asawatangtrakuldee, Chayanit; Ban, Yong; Guo, Yifei; Li, Wenbo; Liu, Shuai; Mao, Yajun; Qian, Si-Jin; Teng, Haiyun; Wang, Dayong; Zhang, Linlin; Zou, Wei; Avila, Carlos; Carrillo Montoya, Camilo Andres; Gomez, Juan Pablo; Gomez Moreno, Bernardo; Osorio Oliveros, Andres Felipe; Sanabria, Juan Carlos; Godinovic, Nikola; Lelas, Damir; Plestina, Roko; Polic, Dunja; Puljak, Ivica; Antunovic, Zeljko; Kovac, Marko; Brigljevic, Vuko; Duric, Senka; Kadija, Kreso; Luetic, Jelena; Mekterovic, Darko; Morovic, Srecko; Tikvica, Lucija; Attikis, Alexandros; Galanti, Mario; Mavromanolakis, Georgios; Mousa, Jehad; Nicolaou, Charalambos; Ptochos, Fotios; Razis, Panos A; Finger, Miroslav; Finger Jr, Michael; Assran, Yasser; Elgammal, Sherif; Ellithi Kamel, Ali; Kuotb Awad, Alaa Metwaly; Mahmoud, Mohammed; Radi, Amr; Kadastik, Mario; Müntel, Mait; Murumaa, Marion; Raidal, Martti; Rebane, Liis; Tiko, Andres; Eerola, Paula; Fedi, Giacomo; Voutilainen, Mikko; Härkönen, Jaakko; Heikkinen, Mika Aatos; Karimäki, Veikko; Kinnunen, Ritva; Kortelainen, Matti J; Lampén, Tapio; Lassila-Perini, Kati; Lehti, Sami; Lindén, Tomas; Luukka, Panja-Riina; Mäenpää, Teppo; Peltola, Timo; Tuominen, Eija; Tuominiemi, Jorma; Tuovinen, Esa; Ungaro, Donatella; Wendland, Lauri; Korpela, Arja; Tuuva, Tuure; Besancon, Marc; Choudhury, Somnath; Couderc, Fabrice; Dejardin, Marc; Denegri, Daniel; Fabbro, Bernard; Faure, Jean-Louis; Ferri, Federico; Ganjour, Serguei; Givernaud, Alain; Gras, Philippe; Hamel de Monchenault, Gautier; Jarry, Patrick; Locci, Elizabeth; Malcles, Julie; Millischer, Laurent; Nayak, Aruna; Rander, John; Rosowsky, André; Titov, Maksym; Baffioni, Stephanie; Beaudette, Florian; Benhabib, Lamia; Bianchini, Lorenzo; Bluj, Michal; Busson, Philippe; Charlot, Claude; Daci, Nadir; Dahms, Torsten; Dalchenko, Mykhailo; Dobrzynski, Ludwik; Florent, Alice; Granier de Cassagnac, Raphael; Haguenauer, Maurice; Miné, Philippe; Mironov, Camelia; Naranjo, Ivo Nicolas; Nguyen, Matthew; Ochando, Christophe; Paganini, Pascal; Sabes, David; Salerno, Roberto; Sirois, Yves; Veelken, Christian; Zabi, Alexandre; Agram, Jean-Laurent; Andrea, Jeremy; Bloch, Daniel; Bodin, David; Brom, Jean-Marie; Cardaci, Marco; Chabert, Eric Christian; Collard, Caroline; Conte, Eric; Drouhin, Frédéric; Fontaine, Jean-Charles; Gelé, Denis; Goerlach, Ulrich; Juillot, Pierre; Le Bihan, Anne-Catherine; Van Hove, Pierre; Beauceron, Stephanie; Beaupere, Nicolas; Bondu, Olivier; Boudoul, Gaelle; Brochet, Sébastien; Chasserat, Julien; Chierici, Roberto; Contardo, Didier; Depasse, Pierre; El Mamouni, Houmani; Fay, Jean; Gascon, Susan; Gouzevitch, Maxime; Ille, Bernard; Kurca, Tibor; Lethuillier, Morgan; Mirabito, Laurent; Perries, Stephane; Sgandurra, Louis; Sordini, Viola; Tschudi, Yohann; Verdier, Patrice; Viret, Sébastien; Tsamalaidze, Zviad; Autermann, Christian; Beranek, Sarah; Calpas, Betty; Edelhoff, Matthias; Feld, Lutz; Heracleous, Natalie; Hindrichs, Otto; Jussen, Ruediger; Klein, Katja; Merz, Jennifer; Ostapchuk, Andrey; Perieanu, Adrian; Raupach, Frank; Sammet, Jan; Schael, Stefan; Sprenger, Daniel; Weber, Hendrik; Wittmer, Bruno; Zhukov, Valery; Ata, Metin; Caudron, Julien; Dietz-Laursonn, Erik; Duchardt, Deborah; Erdmann, Martin; Fischer, Robert; Güth, Andreas; Hebbeker, Thomas; Heidemann, Carsten; Hoepfner, Kerstin; Klingebiel, Dennis; Kreuzer, Peter; Merschmeyer, Markus; Meyer, Arnd; Olschewski, Mark; Padeken, Klaas; Papacz, Paul; Pieta, Holger; Reithler, Hans; Schmitz, Stefan Antonius; Sonnenschein, Lars; Steggemann, Jan; Teyssier, Daniel; Thüer, Sebastian; Weber, Martin; Bontenackels, Michael; Cherepanov, Vladimir; Erdogan, Yusuf; Flügge, Günter; Geenen, Heiko; Geisler, Matthias; Haj Ahmad, Wael; Hoehle, Felix; Kargoll, Bastian; Kress, Thomas; Kuessel, Yvonne; Lingemann, Joschka; Nowack, Andreas; Nugent, Ian Michael; Perchalla, Lars; Pooth, Oliver; Sauerland, Philip; Stahl, Achim; Aldaya Martin, Maria; Asin, Ivan; Bartosik, Nazar; Behr, Joerg; Behrenhoff, Wolf; Behrens, Ulf; Bergholz, Matthias; Bethani, Agni; Borras, Kerstin; Burgmeier, Armin; Cakir, Altan; Calligaris, Luigi; Campbell, Alan; Castro, Elena; Costanza, Francesco; Dammann, Dirk; Diez Pardos, Carmen; Dorland, Tyler; Eckerlin, Guenter; Eckstein, Doris; Flucke, Gero; Geiser, Achim; Glushkov, Ivan; Gunnellini, Paolo; Habib, Shiraz; Hauk, Johannes; Hellwig, Gregor; Jung, Hannes; Kasemann, Matthias; Katsas, Panagiotis; Kleinwort, Claus; Kluge, Hannelies; Knutsson, Albert; Krämer, Mira; Krücker, Dirk; Kuznetsova, Ekaterina; Lange, Wolfgang; Leonard, Jessica; Lohmann, Wolfgang; Lutz, Benjamin; Mankel, Rainer; Marfin, Ihar; Marienfeld, Markus; Melzer-Pellmann, Isabell-Alissandra; Meyer, Andreas Bernhard; Mnich, Joachim; Mussgiller, Andreas; Naumann-Emme, Sebastian; Novgorodova, Olga; Nowak, Friederike; Olzem, Jan; Perrey, Hanno; Petrukhin, Alexey; Pitzl, Daniel; Raspereza, Alexei; Ribeiro Cipriano, Pedro M; Riedl, Caroline; Ron, Elias; Rosin, Michele; Salfeld-Nebgen, Jakob; Schmidt, Ringo; Schoerner-Sadenius, Thomas; Sen, Niladri; Spiridonov, Alexander; Stein, Matthias; Walsh, Roberval; Wissing, Christoph; Blobel, Volker; Enderle, Holger; Erfle, Joachim; Gebbert, Ulla; Görner, Martin; Gosselink, Martijn; Haller, Johannes; Hermanns, Thomas; Höing, Rebekka Sophie; Kaschube, Kolja; Kaussen, Gordon; Kirschenmann, Henning; Klanner, Robert; Lange, Jörn; Peiffer, Thomas; Pietsch, Niklas; Rathjens, Denis; Sander, Christian; Schettler, Hannes; Schleper, Peter; Schlieckau, Eike; Schmidt, Alexander; Schröder, Matthias; Schum, Torben; Seidel, Markus; Sibille, Jennifer; Sola, Valentina; Stadie, Hartmut; Steinbrück, Georg; Thomsen, Jan; Vanelderen, Lukas; Barth, Christian; Baus, Colin; Berger, Joram; Böser, Christian; Chwalek, Thorsten; De Boer, Wim; Descroix, Alexis; Dierlamm, Alexander; Feindt, Michael; Guthoff, Moritz; Hackstein, Christoph; Hartmann, Frank; Hauth, Thomas; Heinrich, Michael; Held, Hauke; Hoffmann, Karl-Heinz; Husemann, Ulrich; Katkov, Igor; Komaragiri, Jyothsna Rani; Lobelle Pardo, Patricia; Martschei, Daniel; Mueller, Steffen; Müller, Thomas; Niegel, Martin; Nürnberg, Andreas; Oberst, Oliver; Oehler, Andreas; Ott, Jochen; Quast, Gunter; Rabbertz, Klaus; Ratnikov, Fedor; Ratnikova, Natalia; Röcker, Steffen; Schilling, Frank-Peter; Schott, Gregory; Simonis, Hans-Jürgen; Stober, Fred-Markus Helmut; Troendle, Daniel; Ulrich, Ralf; Wagner-Kuhr, Jeannine; Wayand, Stefan; Weiler, Thomas; Zeise, Manuel; Anagnostou, Georgios; Daskalakis, Georgios; Geralis, Theodoros; Kesisoglou, Stilianos; Kyriakis, Aristotelis; Loukas, Demetrios; Manolakos, Ioannis; Markou, Athanasios; Markou, Christos; Ntomari, Eleni; Gouskos, Loukas; Mertzimekis, Theodoros; Panagiotou, Apostolos; Saoulidou, Niki; Evangelou, Ioannis; Foudas, Costas; Kokkas, Panagiotis; Manthos, Nikolaos; Papadopoulos, Ioannis; Bencze, Gyorgy; Hajdu, Csaba; Hidas, Pàl; Horvath, Dezso; Sikler, Ferenc; Veszpremi, Viktor; Vesztergombi, Gyorgy; Zsigmond, Anna Julia; Beni, Noemi; Czellar, Sandor; Molnar, Jozsef; Palinkas, Jozsef; Szillasi, Zoltan; Karancsi, János; Raics, Peter; Trocsanyi, Zoltan Laszlo; Ujvari, Balazs; Beri, Suman Bala; Bhatnagar, Vipin; Dhingra, Nitish; Gupta, Ruchi; Kaur, Manjit; Mehta, Manuk Zubin; Mittal, Monika; Nishu, Nishu; Saini, Lovedeep Kaur; Sharma, Archana; Singh, Jasbir; Kumar, Ashok; Kumar, Arun; Ahuja, Sudha; Bhardwaj, Ashutosh; Choudhary, Brajesh C; Malhotra, Shivali; Naimuddin, Md; Ranjan, Kirti; Saxena, Pooja; Sharma, Varun; Shivpuri, Ram Krishen; Banerjee, Sunanda; Bhattacharya, Satyaki; Chatterjee, Kalyanmoy; Dutta, Suchandra; Gomber, Bhawna; Jain, Sandhya; Jain, Shilpi; Khurana, Raman; Modak, Atanu; Mukherjee, Swagata; Roy, Debarati; Sarkar, Subir; Sharan, Manoj; Abdulsalam, Abdulla; Dutta, Dipanwita; Kailas, Swaminathan; Kumar, Vineet; Mohanty, Ajit Kumar; Pant, Lalit Mohan; Shukla, Prashant; Aziz, Tariq; Chatterjee, Rajdeep Mohan; Ganguly, Sanmay; Guchait, Monoranjan; Gurtu, Atul; Maity, Manas; Majumder, Gobinda; Mazumdar, Kajari; Mohanty, Gagan Bihari; Parida, Bibhuti; Sudhakar, Katta; Wickramage, Nadeesha; Banerjee, Sudeshna; Dugad, Shashikant; Arfaei, Hessamaddin; Bakhshiansohi, Hamed; Etesami, Seyed Mohsen; Fahim, Ali; Hashemi, Majid; Hesari, Hoda; Jafari, Abideh; Khakzad, Mohsen; Mohammadi Najafabadi, Mojtaba; Paktinat Mehdiabadi, Saeid; Safarzadeh, Batool; Zeinali, Maryam; Abbrescia, Marcello; Barbone, Lucia; Calabria, Cesare; Chhibra, Simranjit Singh; Colaleo, Anna; Creanza, Donato; De Filippis, Nicola; De Palma, Mauro; Fiore, Luigi; Iaselli, Giuseppe; Maggi, Giorgio; Maggi, Marcello; Marangelli, Bartolomeo; My, Salvatore; Nuzzo, Salvatore; Pacifico, Nicola; Pompili, Alexis; Pugliese, Gabriella; Selvaggi, Giovanna; Silvestris, Lucia; Singh, Gurpreet; Venditti, Rosamaria; Verwilligen, Piet; Zito, Giuseppe; Abbiendi, Giovanni; Benvenuti, Alberto; Bonacorsi, Daniele; Braibant-Giacomelli, Sylvie; Brigliadori, Luca; Capiluppi, Paolo; Castro, Andrea; Cavallo, Francesca Romana; Cuffiani, Marco; Dallavalle, Gaetano-Marco; Fabbri, Fabrizio; Fanfani, Alessandra; Fasanella, Daniele; Giacomelli, Paolo; Grandi, Claudio; Guiducci, Luigi; Marcellini, Stefano; Masetti, Gianni; Meneghelli, Marco; Montanari, Alessandro; Navarria, Francesco; Odorici, Fabrizio; Perrotta, Andrea; Primavera, Federica; Rossi, Antonio; Rovelli, Tiziano; Siroli, Gian Piero; Tosi, Nicolò; Travaglini, Riccardo; Albergo, Sebastiano; Cappello, Gigi; Chiorboli, Massimiliano; Costa, Salvatore; Potenza, Renato; Tricomi, Alessia; Tuve, Cristina; Barbagli, Giuseppe; Ciulli, Vitaliano; Civinini, Carlo; D'Alessandro, Raffaello; Focardi, Ettore; Frosali, Simone; Gallo, Elisabetta; Gonzi, Sandro; Meschini, Marco; Paoletti, Simone; Sguazzoni, Giacomo; Tropiano, Antonio; Benussi, Luigi; Bianco, Stefano; Colafranceschi, Stefano; Fabbri, Franco; Piccolo, Davide; Fabbricatore, Pasquale; Musenich, Riccardo; Tosi, Silvano; Benaglia, Andrea; De Guio, Federico; Di Matteo, Leonardo; Fiorendi, Sara; Gennai, Simone; Ghezzi, Alessio; Lucchini, Marco Toliman; Malvezzi, Sandra; Manzoni, Riccardo Andrea; Martelli, Arabella; Massironi, Andrea; Menasce, Dario; Moroni, Luigi; Paganoni, Marco; Pedrini, Daniele; Ragazzi, Stefano; Redaelli, Nicola; Tabarelli de Fatis, Tommaso; Buontempo, Salvatore; Cavallo, Nicola; De Cosa, Annapaola; Dogangun, Oktay; Fabozzi, Francesco; Iorio, Alberto Orso Maria; Lista, Luca; Meola, Sabino; Merola, Mario; Paolucci, Pierluigi; Azzi, Patrizia; Bacchetta, Nicola; Bellan, Paolo; Bisello, Dario; Branca, Antonio; Carlin, Roberto; Checchia, Paolo; Dorigo, Tommaso; Dosselli, Umberto; Gasparini, Fabrizio; Gasparini, Ugo; Gozzelino, Andrea; Kanishchev, Konstantin; Lacaprara, Stefano; Lazzizzera, Ignazio; Margoni, Martino; Meneguzzo, Anna Teresa; Nespolo, Massimo; Pazzini, Jacopo; Ronchese, Paolo; Simonetto, Franco; Torassa, Ezio; Vanini, Sara; Zotto, Pierluigi; Zumerle, Gianni; Gabusi, Michele; Ratti, Sergio P; Riccardi, Cristina; Torre, Paola; Vitulo, Paolo; Biasini, Maurizio; Bilei, Gian Mario; Fanò, Livio; Lariccia, Paolo; Mantovani, Giancarlo; Menichelli, Mauro; Nappi, Aniello; Romeo, Francesco; Saha, Anirban; Santocchia, Attilio; Spiezia, Aniello; Taroni, Silvia; Azzurri, Paolo; Bagliesi, Giuseppe; Bernardini, Jacopo; Boccali, Tommaso; Broccolo, Giuseppe; Castaldi, Rino; D'Agnolo, Raffaele Tito; Dell'Orso, Roberto; Fiori, Francesco; Foà, Lorenzo; Giassi, Alessandro; Kraan, Aafke; Ligabue, Franco; Lomtadze, Teimuraz; Martini, Luca; Messineo, Alberto; Palla, Fabrizio; Rizzi, Andrea; Serban, Alin Titus; Spagnolo, Paolo; Squillacioti, Paola; Tenchini, Roberto; Tonelli, Guido; Venturi, Andrea; Verdini, Piero Giorgio; Barone, Luciano; Cavallari, Francesca; Del Re, Daniele; Diemoz, Marcella; Fanelli, Cristiano; Grassi, Marco; Longo, Egidio; Meridiani, Paolo; Micheli, Francesco; Nourbakhsh, Shervin; Organtini, Giovanni; Paramatti, Riccardo; Rahatlou, Shahram; Soffi, Livia; Amapane, Nicola; Arcidiacono, Roberta; Argiro, Stefano; Arneodo, Michele; Biino, Cristina; Cartiglia, Nicolo; Casasso, Stefano; Costa, Marco; Demaria, Natale; Mariotti, Chiara; Maselli, Silvia; Migliore, Ernesto; Monaco, Vincenzo; Musich, Marco; Obertino, Maria Margherita; Pastrone, Nadia; Pelliccioni, Mario; Potenza, Alberto; Romero, Alessandra; Ruspa, Marta; Sacchi, Roberto; Solano, Ada; Staiano, Amedeo; Belforte, Stefano; Candelise, Vieri; Casarsa, Massimo; Cossutti, Fabio; Della Ricca, Giuseppe; Gobbo, Benigno; Marone, Matteo; Montanino, Damiana; Penzo, Aldo; Schizzi, Andrea; Kim, Tae Yeon; Nam, Soon-Kwon; Chang, Sunghyun; Kim, Dong Hee; Kim, Gui Nyun; Kong, Dae Jung; Park, Hyangkyu; Son, Dong-Chul; Kim, Jae Yool; Kim, Zero Jaeho; Song, Sanghyeon; Choi, Suyong; Gyun, Dooyeon; Hong, Byung-Sik; Jo, Mihee; Kim, Hyunchul; Kim, Tae Jeong; Lee, Kyong Sei; Moon, Dong Ho; Park, Sung Keun; Roh, Youn; Choi, Minkyoo; Kim, Ji Hyun; Park, Chawon; Park, Inkyu; Park, Sangnam; Ryu, Geonmo; Choi, Young-Il; Choi, Young Kyu; Goh, Junghwan; Kim, Min Suk; Kwon, Eunhyang; Lee, Byounghoon; Lee, Jongseok; Lee, Sungeun; Seo, Hyunkwan; Yu, Intae; Bilinskas, Mykolas Jurgis; Grigelionis, Ignas; Janulis, Mindaugas; Juodagalvis, Andrius; Castilla-Valdez, Heriberto; De La Cruz-Burelo, Eduard; Heredia-de La Cruz, Ivan; Lopez-Fernandez, Ricardo; Martínez-Ortega, Jorge; Sánchez Hernández, Alberto; Villasenor-Cendejas, Luis Manuel; Carrillo Moreno, Salvador; Vazquez Valencia, Fabiola; Salazar Ibarguen, Humberto Antonio; Casimiro Linares, Edgar; Morelos Pineda, Antonio; Reyes-Santos, Marco A; Krofcheck, David; Bell, Alan James; Butler, Philip H; Doesburg, Robert; Reucroft, Steve; Silverwood, Hamish; Ahmad, Muhammad; Asghar, Muhammad Irfan; Butt, Jamila; Hoorani, Hafeez R; Khalid, Shoaib; Khan, Wajid Ali; Khurshid, Taimoor; Qazi, Shamona; Shah, Mehar Ali; Shoaib, Muhammad; Bialkowska, Helena; Boimska, Bozena; Frueboes, Tomasz; Górski, Maciej; Kazana, Malgorzata; Nawrocki, Krzysztof; Romanowska-Rybinska, Katarzyna; Szleper, Michal; Wrochna, Grzegorz; Zalewski, Piotr; Brona, Grzegorz; Bunkowski, Karol; Cwiok, Mikolaj; Dominik, Wojciech; Doroba, Krzysztof; Kalinowski, Artur; Konecki, Marcin; Krolikowski, Jan; Misiura, Maciej; Wolszczak, Weronika; Almeida, Nuno; Bargassa, Pedrame; David Tinoco Mendes, Andre; Faccioli, Pietro; Ferreira Parracho, Pedro Guilherme; Gallinaro, Michele; Seixas, Joao; Varela, Joao; Vischia, Pietro; Belotelov, Ivan; Bunin, Pavel; Gavrilenko, Mikhail; Golutvin, Igor; Gorbunov, Ilya; Kamenev, Alexey; Karjavin, Vladimir; Kozlov, Guennady; Lanev, Alexander; Malakhov, Alexander; Moisenz, Petr; Palichik, Vladimir; Perelygin, Victor; Shmatov, Sergey; Smirnov, Vitaly; Volodko, Anton; Zarubin, Anatoli; Evstyukhin, Sergey; Golovtsov, Victor; Ivanov, Yury; Kim, Victor; Levchenko, Petr; Murzin, Victor; Oreshkin, Vadim; Smirnov, Igor; Sulimov, Valentin; Uvarov, Lev; Vavilov, Sergey; Vorobyev, Alexey; Vorobyev, Andrey; Andreev, Yuri; Dermenev, Alexander; Gninenko, Sergei; Golubev, Nikolai; Kirsanov, Mikhail; Krasnikov, Nikolai; Matveev, Viktor; Pashenkov, Anatoli; Tlisov, Danila; Toropin, Alexander; Epshteyn, Vladimir; Erofeeva, Maria; Gavrilov, Vladimir; Kossov, Mikhail; Lychkovskaya, Natalia; Popov, Vladimir; Safronov, Grigory; Semenov, Sergey; Shreyber, Irina; Stolin, Viatcheslav; Vlasov, Evgueni; Zhokin, Alexander; Belyaev, Andrey; Boos, Edouard; Dubinin, Mikhail; Dudko, Lev; Ershov, Alexander; Gribushin, Andrey; Klyukhin, Vyacheslav; Kodolova, Olga; Lokhtin, Igor; Markina, Anastasia; Obraztsov, Stepan; Perfilov, Maxim; Petrushanko, Sergey; Popov, Andrey; Sarycheva, Ludmila; Savrin, Viktor; Snigirev, Alexander; Andreev, Vladimir; Azarkin, Maksim; Dremin, Igor; Kirakosyan, Martin; Leonidov, Andrey; Mesyats, Gennady; Rusakov, Sergey V; Vinogradov, Alexey; Azhgirey, Igor; Bayshev, Igor; Bitioukov, Sergei; Grishin, Viatcheslav; Kachanov, Vassili; Konstantinov, Dmitri; Krychkine, Victor; Petrov, Vladimir; Ryutin, Roman; Sobol, Andrei; Tourtchanovitch, Leonid; Troshin, Sergey; Tyurin, Nikolay; Uzunian, Andrey; Volkov, Alexey; Adzic, Petar; Djordjevic, Milos; Ekmedzic, Marko; Krpic, Dragomir; Milosevic, Jovan; Aguilar-Benitez, Manuel; Alcaraz Maestre, Juan; Arce, Pedro; Battilana, Carlo; Calvo, Enrique; Cerrada, Marcos; Chamizo Llatas, Maria; Colino, Nicanor; De La Cruz, Begona; Delgado Peris, Antonio; Domínguez Vázquez, Daniel; Fernandez Bedoya, Cristina; Fernández Ramos, Juan Pablo; Ferrando, Antonio; Flix, Jose; Fouz, Maria Cruz; Garcia-Abia, Pablo; Gonzalez Lopez, Oscar; Goy Lopez, Silvia; Hernandez, Jose M; Josa, Maria Isabel; Merino, Gonzalo; Puerta Pelayo, Jesus; Quintario Olmeda, Adrián; Redondo, Ignacio; Romero, Luciano; Santaolalla, Javier; Senghi Soares, Mara; Willmott, Carlos; Albajar, Carmen; Codispoti, Giuseppe; de Trocóniz, Jorge F; Brun, Hugues; Cuevas, Javier; Fernandez Menendez, Javier; Folgueras, Santiago; Gonzalez Caballero, Isidro; Lloret Iglesias, Lara; Piedra Gomez, Jonatan; Brochero Cifuentes, Javier Andres; Cabrillo, Iban Jose; Calderon, Alicia; Chuang, Shan-Huei; Duarte Campderros, Jordi; Felcini, Marta; Fernandez, Marcos; Gomez, Gervasio; Gonzalez Sanchez, Javier; Graziano, Alberto; Jorda, Clara; Lopez Virto, Amparo; Marco, Jesus; Marco, Rafael; Martinez Rivero, Celso; Matorras, Francisco; Munoz Sanchez, Francisca Javiela; Rodrigo, Teresa; Rodríguez-Marrero, Ana Yaiza; Ruiz-Jimeno, Alberto; Scodellaro, Luca; Vila, Ivan; Vilar Cortabitarte, Rocio; Abbaneo, Duccio; Auffray, Etiennette; Auzinger, Georg; Bachtis, Michail; Baillon, Paul; Ball, Austin; Barney, David; Benitez, Jose F; Bernet, Colin; Bianchi, Giovanni; Bloch, Philippe; Bocci, Andrea; Bonato, Alessio; Botta, Cristina; Breuker, Horst; Camporesi, Tiziano; Cerminara, Gianluca; Christiansen, Tim; Coarasa Perez, Jose Antonio; D'Enterria, David; Dabrowski, Anne; De Roeck, Albert; De Visscher, Simon; Di Guida, Salvatore; Dobson, Marc; Dupont-Sagorin, Niels; Elliott-Peisert, Anna; Frisch, Benjamin; Funk, Wolfgang; Georgiou, Georgios; Giffels, Manuel; Gigi, Dominique; Gill, Karl; Giordano, Domenico; Girone, Maria; Giunta, Marina; Glege, Frank; Gomez-Reino Garrido, Robert; Govoni, Pietro; Gowdy, Stephen; Guida, Roberto; Hammer, Josef; Hansen, Magnus; Harris, Philip; Hartl, Christian; Harvey, John; Hegner, Benedikt; Hinzmann, Andreas; Innocente, Vincenzo; Janot, Patrick; Kaadze, Ketino; Karavakis, Edward; Kousouris, Konstantinos; Lecoq, Paul; Lee, Yen-Jie; Lenzi, Piergiulio; Lourenco, Carlos; Magini, Nicolo; Maki, Tuula; Malberti, Martina; Malgeri, Luca; Mannelli, Marcello; Masetti, Lorenzo; Meijers, Frans; Mersi, Stefano; Meschi, Emilio; Moser, Roland; Mulders, Martijn; Musella, Pasquale; Nesvold, Erik; Orsini, Luciano; Palencia Cortezon, Enrique; Perez, Emmanuelle; Perrozzi, Luca; Petrilli, Achille; Pfeiffer, Andreas; Pierini, Maurizio; Pimiä, Martti; Piparo, Danilo; Polese, Giovanni; Quertenmont, Loic; Racz, Attila; Reece, William; Rodrigues Antunes, Joao; Rolandi, Gigi; Rovelli, Chiara; Rovere, Marco; Sakulin, Hannes; Santanastasio, Francesco; Schäfer, Christoph; Schwick, Christoph; Segoni, Ilaria; Sekmen, Sezen; Sharma, Archana; Siegrist, Patrice; Silva, Pedro; Simon, Michal; Sphicas, Paraskevas; Spiga, Daniele; Tsirou, Andromachi; Veres, Gabor Istvan; Vlimant, Jean-Roch; Wöhri, Hermine Katharina; Worm, Steven; Zeuner, Wolfram Dietrich; Bertl, Willi; Deiters, Konrad; Erdmann, Wolfram; Gabathuler, Kurt; Horisberger, Roland; Ingram, Quentin; Kaestli, Hans-Christian; König, Stefan; Kotlinski, Danek; Langenegger, Urs; Meier, Frank; Renker, Dieter; Rohe, Tilman; Bachmair, Felix; Bäni, Lukas; Bortignon, Pierluigi; Buchmann, Marco-Andrea; Casal, Bruno; Chanon, Nicolas; Deisher, Amanda; Dissertori, Günther; Dittmar, Michael; Donegà, Mauro; Dünser, Marc; Eller, Philipp; Eugster, Jürg; Freudenreich, Klaus; Grab, Christoph; Hits, Dmitry; Lecomte, Pierre; Lustermann, Werner; Marini, Andrea Carlo; Martinez Ruiz del Arbol, Pablo; Mohr, Niklas; Moortgat, Filip; Nägeli, Christoph; Nef, Pascal; Nessi-Tedaldi, Francesca; Pandolfi, Francesco; Pape, Luc; Pauss, Felicitas; Peruzzi, Marco; Ronga, Frederic Jean; Rossini, Marco; Sala, Leonardo; Sanchez, Ann - Karin; Starodumov, Andrei; Stieger, Benjamin; Takahashi, Maiko; Tauscher, Ludwig; Thea, Alessandro; Theofilatos, Konstantinos; Treille, Daniel; Urscheler, Christina; Wallny, Rainer; Weber, Hannsjoerg Artur; Wehrli, Lukas; Amsler, Claude; Chiochia, Vincenzo; Favaro, Carlotta; Ivova Rikova, Mirena; Kilminster, Benjamin; Millan Mejias, Barbara; Otiougova, Polina; Robmann, Peter; Snoek, Hella; Tupputi, Salvatore; Verzetti, Mauro; Chang, Yuan-Hann; Chen, Kuan-Hsin; Ferro, Cristina; Kuo, Chia-Ming; Li, Syue-Wei; Lin, Willis; Lu, Yun-Ju; Singh, Anil; Volpe, Roberta; Yu, Shin-Shan; Bartalini, Paolo; Chang, Paoti; Chang, You-Hao; Chang, Yu-Wei; Chao, Yuan; Chen, Kai-Feng; Dietz, Charles; Grundler, Ulysses; Hou, George Wei-Shu; Hsiung, Yee; Kao, Kai-Yi; Lei, Yeong-Jyi; Lu, Rong-Shyang; Majumder, Devdatta; Petrakou, Eleni; Shi, Xin; Shiu, Jing-Ge; Tzeng, Yeng-Ming; Wan, Xia; Wang, Minzu; Asavapibhop, Burin; Simili, Emanuele; Srimanobhas, Norraphat; Suwonjandee, Narumon; Adiguzel, Aytul; Bakirci, Mustafa Numan; Cerci, Salim; Dozen, Candan; Dumanoglu, Isa; Eskut, Eda; Girgis, Semiray; Gokbulut, Gul; Gurpinar, Emine; Hos, Ilknur; Kangal, Evrim Ersin; Karaman, Turker; Karapinar, Guler; Kayis Topaksu, Aysel; Onengut, Gulsen; Ozdemir, Kadri; Ozturk, Sertac; Polatoz, Ayse; Sogut, Kenan; Sunar Cerci, Deniz; Tali, Bayram; Topakli, Huseyin; Vergili, Latife Nukhet; Vergili, Mehmet; Akin, Ilina Vasileva; Aliev, Takhmasib; Bilin, Bugra; Bilmis, Selcuk; Deniz, Muhammed; Gamsizkan, Halil; Guler, Ali Murat; Ocalan, Kadir; Ozpineci, Altug; Serin, Meltem; Sever, Ramazan; Surat, Ugur Emrah; Yalvac, Metin; Yildirim, Eda; Zeyrek, Mehmet; Gülmez, Erhan; Isildak, Bora; Kaya, Mithat; Kaya, Ozlem; Ozkorucuklu, Suat; Sonmez, Nasuf; Bahtiyar, Hüseyin; Barlas, Esra; Cankocak, Kerem; Günaydin, Yusuf Oguzhan; Vardarli, Fuat Ilkehan; Yücel, Mete; Levchuk, Leonid; Brooke, James John; Clement, Emyr; Cussans, David; Flacher, Henning; Frazier, Robert; Goldstein, Joel; Grimes, Mark; Heath, Greg P; Heath, Helen F; Kreczko, Lukasz; Metson, Simon; Newbold, Dave M; Nirunpong, Kachanon; Poll, Anthony; Senkin, Sergey; Smith, Vincent J; Williams, Thomas; Basso, Lorenzo; Bell, Ken W; Belyaev, Alexander; Brew, Christopher; Brown, Robert M; Cockerill, David JA; Coughlan, John A; Harder, Kristian; Harper, Sam; Jackson, James; Kennedy, Bruce W; Olaiya, Emmanuel; Petyt, David; Radburn-Smith, Benjamin Charles; Shepherd-Themistocleous, Claire; Tomalin, Ian R; Womersley, William John; Bainbridge, Robert; Ball, Gordon; Beuselinck, Raymond; Buchmuller, Oliver; Colling, David; Cripps, Nicholas; Cutajar, Michael; Dauncey, Paul; Davies, Gavin; Della Negra, Michel; Ferguson, William; Fulcher, Jonathan; Futyan, David; Gilbert, Andrew; Guneratne Bryer, Arlo; Hall, Geoffrey; Hatherell, Zoe; Hays, Jonathan; Iles, Gregory; Jarvis, Martyn; Karapostoli, Georgia; Kenzie, Matthew; Lyons, Louis; Magnan, Anne-Marie; Marrouche, Jad; Mathias, Bryn; Nandi, Robin; Nash, Jordan; Nikitenko, Alexander; Pela, Joao; Pesaresi, Mark; Petridis, Konstantinos; Pioppi, Michele; Raymond, David Mark; Rogerson, Samuel; Rose, Andrew; Seez, Christopher; Sharp, Peter; Sparrow, Alex; Stoye, Markus; Tapper, Alexander; Vazquez Acosta, Monica; Virdee, Tejinder; Wakefield, Stuart; Wardle, Nicholas; Whyntie, Tom; Chadwick, Matthew; Cole, Joanne; Hobson, Peter R; Khan, Akram; Kyberd, Paul; Leggat, Duncan; Leslie, Dawn; Martin, William; Reid, Ivan; Symonds, Philip; Teodorescu, Liliana; Turner, Mark; Hatakeyama, Kenichi; Liu, Hongxuan; Scarborough, Tara; Charaf, Otman; Cooper, Seth; Henderson, Conor; Rumerio, Paolo; Avetisyan, Aram; Bose, Tulika; Fantasia, Cory; Heister, Arno; St John, Jason; Lawson, Philip; Lazic, Dragoslav; Rohlf, James; Sperka, David; Sulak, Lawrence; Alimena, Juliette; Bhattacharya, Saptaparna; Christopher, Grant; Cutts, David; Demiragli, Zeynep; Ferapontov, Alexey; Garabedian, Alex; Heintz, Ulrich; Jabeen, Shabnam; Kukartsev, Gennadiy; Laird, Edward; Landsberg, Greg; Luk, Michael; Narain, Meenakshi; Segala, Michael; Sinthuprasith, Tutanon; Speer, Thomas; Breedon, Richard; Breto, Guillermo; Calderon De La Barca Sanchez, Manuel; Caulfield, Matthew; Chauhan, Sushil; Chertok, Maxwell; Conway, John; Conway, Rylan; Cox, Peter Timothy; Dolen, James; Erbacher, Robin; Gardner, Michael; Houtz, Rachel; Ko, Winston; Kopecky, Alexandra; Lander, Richard; Mall, Orpheus; Miceli, Tia; Nelson, Randy; Pellett, Dave; Ricci-Tam, Francesca; Rutherford, Britney; Searle, Matthew; Smith, John; Squires, Michael; Tripathi, Mani; Vasquez Sierra, Ricardo; Yohay, Rachel; Andreev, Valeri; Cline, David; Cousins, Robert; Duris, Joseph; Erhan, Samim; Everaerts, Pieter; Farrell, Chris; Hauser, Jay; Ignatenko, Mikhail; Jarvis, Chad; Rakness, Gregory; Schlein, Peter; Traczyk, Piotr; Valuev, Vyacheslav; Weber, Matthias; Babb, John; Clare, Robert; Dinardo, Mauro Emanuele; Ellison, John Anthony; Gary, J William; Giordano, Ferdinando; Hanson, Gail; Liu, Hongliang; Long, Owen Rosser; Luthra, Arun; Nguyen, Harold; Paramesvaran, Sudarshan; Sturdy, Jared; Sumowidagdo, Suharyo; Wilken, Rachel; Wimpenny, Stephen; Andrews, Warren; Branson, James G; Cerati, Giuseppe Benedetto; Cittolin, Sergio; Evans, David; Holzner, André; Kelley, Ryan; Lebourgeois, Matthew; Letts, James; Macneill, Ian; Mangano, Boris; Padhi, Sanjay; Palmer, Christopher; Petrucciani, Giovanni; Pieri, Marco; Sani, Matteo; Sharma, Vivek; Simon, Sean; Sudano, Elizabeth; Tadel, Matevz; Tu, Yanjun; Vartak, Adish; Wasserbaech, Steven; Würthwein, Frank; Yagil, Avraham; Yoo, Jaehyeok; Barge, Derek; Bellan, Riccardo; Campagnari, Claudio; D'Alfonso, Mariarosaria; Danielson, Thomas; Flowers, Kristen; Geffert, Paul; George, Christopher; Golf, Frank; Incandela, Joe; Justus, Christopher; Kalavase, Puneeth; Kovalskyi, Dmytro; Krutelyov, Vyacheslav; Lowette, Steven; Magaña Villalba, Ricardo; Mccoll, Nickolas; Pavlunin, Viktor; Ribnik, Jacob; Richman, Jeffrey; Rossin, Roberto; Stuart, David; To, Wing; West, Christopher; Apresyan, Artur; Bornheim, Adolf; Chen, Yi; Di Marco, Emanuele; Duarte, Javier; Gataullin, Marat; Ma, Yousi; Mott, Alexander; Newman, Harvey B; Rogan, Christopher; Spiropulu, Maria; Timciuc, Vladlen; Veverka, Jan; Wilkinson, Richard; Xie, Si; Yang, Yong; Zhu, Ren-Yuan; Azzolini, Virginia; Calamba, Aristotle; Carroll, Ryan; Ferguson, Thomas; Iiyama, Yutaro; Jang, Dong Wook; Liu, Yueh-Feng; Paulini, Manfred; Vogel, Helmut; Vorobiev, Igor; Cumalat, John Perry; Drell, Brian Robert; Ford, William T; Gaz, Alessandro; Luiggi Lopez, Eduardo; Smith, James; Stenson, Kevin; Ulmer, Keith; Wagner, Stephen Robert; Alexander, James; Chatterjee, Avishek; Eggert, Nicholas; Gibbons, Lawrence Kent; Heltsley, Brian; Hopkins, Walter; Khukhunaishvili, Aleko; Kreis, Benjamin; Mirman, Nathan; Nicolas Kaufman, Gala; Patterson, Juliet Ritchie; Ryd, Anders; Salvati, Emmanuele; Sun, Werner; Teo, Wee Don; Thom, Julia; Thompson, Joshua; Tucker, Jordan; Weng, Yao; Winstrom, Lucas; Wittich, Peter; Winn, Dave; Abdullin, Salavat; Albrow, Michael; Anderson, Jacob; Bauerdick, Lothar AT; Beretvas, Andrew; Berryhill, Jeffrey; Bhat, Pushpalatha C; Burkett, Kevin; Butler, Joel Nathan; Chetluru, Vasundhara; Cheung, Harry; Chlebana, Frank; Elvira, Victor Daniel; Fisk, Ian; Freeman, Jim; Gao, Yanyan; Green, Dan; Gutsche, Oliver; Hanlon, Jim; Harris, Robert M; Hirschauer, James; Hooberman, Benjamin; Jindariani, Sergo; Johnson, Marvin; Joshi, Umesh; Klima, Boaz; Kunori, Shuichi; Kwan, Simon; Leonidopoulos, Christos; Linacre, Jacob; Lincoln, Don; Lipton, Ron; Lykken, Joseph; Maeshima, Kaori; Marraffino, John Michael; Martinez Outschoorn, Verena Ingrid; Maruyama, Sho; Mason, David; McBride, Patricia; Mishra, Kalanand; Mrenna, Stephen; Musienko, Yuri; Newman-Holmes, Catherine; O'Dell, Vivian; Prokofyev, Oleg; Sexton-Kennedy, Elizabeth; Sharma, Seema; Spalding, William J; Spiegel, Leonard; Taylor, Lucas; Tkaczyk, Slawek; Tran, Nhan Viet; Uplegger, Lorenzo; Vaandering, Eric Wayne; Vidal, Richard; Whitmore, Juliana; Wu, Weimin; Yang, Fan; Yun, Jae Chul; Acosta, Darin; Avery, Paul; Bourilkov, Dimitri; Chen, Mingshui; Cheng, Tongguang; Das, Souvik; De Gruttola, Michele; Di Giovanni, Gian Piero; Dobur, Didar; Drozdetskiy, Alexey; Field, Richard D; Fisher, Matthew; Fu, Yu; Furic, Ivan-Kresimir; Gartner, Joseph; Hugon, Justin; Kim, Bockjoo; Konigsberg, Jacobo; Korytov, Andrey; Kropivnitskaya, Anna; Kypreos, Theodore; Low, Jia Fu; Matchev, Konstantin; Milenovic, Predrag; Mitselmakher, Guenakh; Muniz, Lana; Park, Myeonghun; Remington, Ronald; Rinkevicius, Aurelijus; Sellers, Paul; Skhirtladze, Nikoloz; Snowball, Matthew; Yelton, John; Zakaria, Mohammed; Gaultney, Vanessa; Hewamanage, Samantha; Lebolo, Luis Miguel; Linn, Stephan; Markowitz, Pete; Martinez, German; Rodriguez, Jorge Luis; Adams, Todd; Askew, Andrew; Bochenek, Joseph; Chen, Jie; Diamond, Brendan; Gleyzer, Sergei V; Haas, Jeff; Hagopian, Sharon; Hagopian, Vasken; Jenkins, Merrill; Johnson, Kurtis F; Prosper, Harrison; Veeraraghavan, Venkatesh; Weinberg, Marc; Baarmand, Marc M; Dorney, Brian; Hohlmann, Marcus; Kalakhety, Himali; Vodopiyanov, Igor; Yumiceva, Francisco; Adams, Mark Raymond; Apanasevich, Leonard; Bai, Yuting; Bazterra, Victor Eduardo; Betts, Russell Richard; Bucinskaite, Inga; Callner, Jeremy; Cavanaugh, Richard; Evdokimov, Olga; Gauthier, Lucie; Gerber, Cecilia Elena; Hofman, David Jonathan; Khalatyan, Samvel; Lacroix, Florent; O'Brien, Christine; Silkworth, Christopher; Strom, Derek; Turner, Paul; Varelas, Nikos; Akgun, Ugur; Albayrak, Elif Asli; Bilki, Burak; Clarida, Warren; Dilsiz, Kamuran; Duru, Firdevs; Griffiths, Scott; Merlo, Jean-Pierre; Mermerkaya, Hamit; Mestvirishvili, Alexi; Moeller, Anthony; Nachtman, Jane; Newsom, Charles Ray; Norbeck, Edwin; Ogul, Hasan; Onel, Yasar; Ozok, Ferhat; Sen, Sercan; Tan, Ping; Tiras, Emrah; Wetzel, James; Yetkin, Taylan; Yi, Kai; Barnett, Bruce Arnold; Blumenfeld, Barry; Bolognesi, Sara; Fehling, David; Giurgiu, Gavril; Gritsan, Andrei; Guo, Zijin; Hu, Guofan; Maksimovic, Petar; Swartz, Morris; Whitbeck, Andrew; Baringer, Philip; Bean, Alice; Benelli, Gabriele; Kenny Iii, Raymond Patrick; Murray, Michael; Noonan, Daniel; Sanders, Stephen; Stringer, Robert; Tinti, Gemma; Wood, Jeffrey Scott; Barfuss, Anne-Fleur; Bolton, Tim; Chakaberia, Irakli; Ivanov, Andrew; Khalil, Sadia; Makouski, Mikhail; Maravin, Yurii; Shrestha, Shruti; Svintradze, Irakli; Gronberg, Jeffrey; Lange, David; Rebassoo, Finn; Wright, Douglas; Baden, Drew; Calvert, Brian; Eno, Sarah Catherine; Gomez, Jaime; Hadley, Nicholas John; Kellogg, Richard G; Kirn, Malina; Kolberg, Ted; Lu, Ying; Marionneau, Matthieu; Mignerey, Alice; Pedro, Kevin; Peterman, Alison; Skuja, Andris; Temple, Jeffrey; Tonjes, Marguerite; Tonwar, Suresh C; Apyan, Aram; Bauer, Gerry; Bendavid, Joshua; Busza, Wit; Butz, Erik; Cali, Ivan Amos; Chan, Matthew; Dutta, Valentina; Gomez Ceballos, Guillelmo; Goncharov, Maxim; Kim, Yongsun; Klute, Markus; Krajczar, Krisztian; Levin, Andrew; Luckey, Paul David; Ma, Teng; Nahn, Steve; Paus, Christoph; Ralph, Duncan; Roland, Christof; Roland, Gunther; Rudolph, Matthew; Stephans, George; Stöckli, Fabian; Sumorok, Konstanty; Sung, Kevin; Velicanu, Dragos; Wenger, Edward Allen; Wolf, Roger; Wyslouch, Bolek; Yang, Mingming; Yilmaz, Yetkin; Yoon, Sungho; Zanetti, Marco; Zhukova, Victoria; Dahmes, Bryan; De Benedetti, Abraham; Franzoni, Giovanni; Gude, Alexander; Kao, Shih-Chuan; Klapoetke, Kevin; Kubota, Yuichi; Mans, Jeremy; Pastika, Nathaniel; Rusack, Roger; Sasseville, Michael; Singovsky, Alexander; Tambe, Norbert; Turkewitz, Jared; Cremaldi, Lucien Marcus; Kroeger, Rob; Perera, Lalith; Rahmat, Rahmat; Sanders, David A; Avdeeva, Ekaterina; Bloom, Kenneth; Bose, Suvadeep; Claes, Daniel R; Dominguez, Aaron; Eads, Michael; Keller, Jason; Kravchenko, Ilya; Lazo-Flores, Jose; Malik, Sudhir; Snow, Gregory R; Godshalk, Andrew; Iashvili, Ia; Jain, Supriya; Kharchilava, Avto; Kumar, Ashish; Rappoccio, Salvatore; Wan, Zongru; Alverson, George; Barberis, Emanuela; Baumgartel, Darin; Chasco, Matthew; Haley, Joseph; Nash, David; Orimoto, Toyoko; Trocino, Daniele; Wood, Darien; Zhang, Jinzhong; Anastassov, Anton; Hahn, Kristan Allan; Kubik, Andrew; Lusito, Letizia; Mucia, Nicholas; Odell, Nathaniel; Ofierzynski, Radoslaw Adrian; Pollack, Brian; Pozdnyakov, Andrey; Schmitt, Michael Henry; Stoynev, Stoyan; Velasco, Mayda; Won, Steven; Berry, Douglas; Brinkerhoff, Andrew; Chan, Kwok Ming; Hildreth, Michael; Jessop, Colin; Karmgard, Daniel John; Kolb, Jeff; Lannon, Kevin; Luo, Wuming; Lynch, Sean; Marinelli, Nancy; Morse, David Michael; Pearson, Tessa; Planer, Michael; Ruchti, Randy; Slaunwhite, Jason; Valls, Nil; Wayne, Mitchell; Wolf, Matthias; Antonelli, Louis; Bylsma, Ben; Durkin, Lloyd Stanley; Hill, Christopher; Hughes, Richard; Kotov, Khristian; Ling, Ta-Yung; Puigh, Darren; Rodenburg, Marissa; Smith, Geoffrey; Vuosalo, Carl; Williams, Grayson; Winer, Brian L; Berry, Edmund; Elmer, Peter; Halyo, Valerie; Hebda, Philip; Hegeman, Jeroen; Hunt, Adam; Jindal, Pratima; Koay, Sue Ann; Lopes Pegna, David; Lujan, Paul; Marlow, Daniel; Medvedeva, Tatiana; Mooney, Michael; Olsen, James; Piroué, Pierre; Quan, Xiaohang; Raval, Amita; Saka, Halil; Stickland, David; Tully, Christopher; Werner, Jeremy Scott; Zenz, Seth Conrad; Zuranski, Andrzej; Brownson, Eric; Lopez, Angel; Mendez, Hector; Ramirez Vargas, Juan Eduardo; Alagoz, Enver; Barnes, Virgil E; Benedetti, Daniele; Bolla, Gino; Bortoletto, Daniela; De Mattia, Marco; Everett, Adam; Hu, Zhen; Jones, Matthew; Koybasi, Ozhan; Kress, Matthew; Laasanen, Alvin T; Leonardo, Nuno; Maroussov, Vassili; Merkel, Petra; Miller, David Harry; Neumeister, Norbert; Shipsey, Ian; Silvers, David; Svyatkovskiy, Alexey; Vidal Marono, Miguel; Yoo, Hwi Dong; Zablocki, Jakub; Zheng, Yu; Guragain, Samir; Parashar, Neeti; Adair, Antony; Akgun, Bora; Boulahouache, Chaouki; Ecklund, Karl Matthew; Geurts, Frank JM; Li, Wei; Padley, Brian Paul; Redjimi, Radia; Roberts, Jay; Zabel, James; Betchart, Burton; Bodek, Arie; Chung, Yeon Sei; Covarelli, Roberto; de Barbaro, Pawel; Demina, Regina; Eshaq, Yossof; Ferbel, Thomas; Garcia-Bellido, Aran; Goldenzweig, Pablo; Han, Jiyeon; Harel, Amnon; Miner, Daniel Carl; Vishnevskiy, Dmitry; Zielinski, Marek; Bhatti, Anwar; Ciesielski, Robert; Demortier, Luc; Goulianos, Konstantin; Lungu, Gheorghe; Malik, Sarah; Mesropian, Christina; Arora, Sanjay; Barker, Anthony; Chou, John Paul; Contreras-Campana, Christian; Contreras-Campana, Emmanuel; Duggan, Daniel; Ferencek, Dinko; Gershtein, Yuri; Gray, Richard; Halkiadakis, Eva; Hidas, Dean; Lath, Amitabh; Panwalkar, Shruti; Park, Michael; Patel, Rishi; Rekovic, Vladimir; Robles, Jorge; Rose, Keith; Salur, Sevil; Schnetzer, Steve; Seitz, Claudia; Somalwar, Sunil; Stone, Robert; Thomas, Scott; Walker, Matthew; Cerizza, Giordano; Hollingsworth, Matthew; Spanier, Stefan; Yang, Zong-Chang; York, Andrew; Eusebi, Ricardo; Flanagan, Will; Gilmore, Jason; Kamon, Teruki; Khotilovich, Vadim; Montalvo, Roy; Osipenkov, Ilya; Pakhotin, Yuriy; Perloff, Alexx; Roe, Jeffrey; Safonov, Alexei; Sakuma, Tai; Sengupta, Sinjini; Suarez, Indara; Tatarinov, Aysen; Toback, David; Akchurin, Nural; Damgov, Jordan; Dragoiu, Cosmin; Dudero, Phillip Russell; Jeong, Chiyoung; Kovitanggoon, Kittikul; Lee, Sung Won; Libeiro, Terence; Volobouev, Igor; Appelt, Eric; Delannoy, Andrés G; Florez, Carlos; Greene, Senta; Gurrola, Alfredo; Johns, Willard; Kurt, Pelin; Maguire, Charles; Melo, Andrew; Sharma, Monika; Sheldon, Paul; Snook, Benjamin; Tuo, Shengquan; Velkovska, Julia; Arenton, Michael Wayne; Balazs, Michael; Boutle, Sarah; Cox, Bradley; Francis, Brian; Goodell, Joseph; Hirosky, Robert; Ledovskoy, Alexander; Lin, Chuanzhe; Neu, Christopher; Wood, John; Gollapinni, Sowjanya; Harr, Robert; Karchin, Paul Edmund; Kottachchi Kankanamge Don, Chamath; Lamichhane, Pramod; Sakharov, Alexandre; Anderson, Michael; Belknap, Donald; Borrello, Laura; Carlsmith, Duncan; Cepeda, Maria; Dasu, Sridhara; Friis, Evan; Gray, Lindsey; Grogg, Kira Suzanne; Grothe, Monika; Hall-Wilton, Richard; Herndon, Matthew; Hervé, Alain; Klabbers, Pamela; Klukas, Jeffrey; Lanaro, Armando; Lazaridis, Christos; Loveless, Richard; Mohapatra, Ajit; Mozer, Matthias Ulrich; Ojalvo, Isabel; Palmonari, Francesco; Pierro, Giuseppe Antonio; Ross, Ian; Savin, Alexander; Smith, Wesley H; Swanson, Joshua

    2013-01-02

    A search for narrow resonances and quantum black holes is performed in inclusive and b-tagged dijet mass spectra measured with the CMS detector at the LHC. The data set corresponds to 5 inverse femtobarns of integrated luminosity collected in pp collisions at $\\sqrt{s}$ = 7 TeV. No narrow resonances or quantum black holes are observed. Model-independent upper limits at the 95% confidence level are obtained on the product of the cross section, branching fraction into dijets, and acceptance for three scenarios: decay into quark-quark, quark-gluon, and gluon-gluon pairs. Specific lower limits are set on the mass of string resonances (4.31 TeV), excited quarks (3.32 TeV), axi-gluons and colorons (3.36 TeV), scalar color-octet resonances (2.07 TeV), E(6) diquarks (3.75 TeV), and on the masses of W' (1.92 TeV) and Z' (1.47 TeV) bosons. The limits on the minimum mass of quantum black holes range from 4 to 5.3 TeV. In addition, b-quark tagging is applied to the two leading jets and upper limits are set on the product...

  1. Development and validation of an universal interface for compound-specific stable isotope analysis of chlorine (37Cl/35Cl) by GC-high-temperature conversion (HTC)-MS/IRMS.

    Science.gov (United States)

    Renpenning, Julian; Hitzfeld, Kristina L; Gilevska, Tetyana; Nijenhuis, Ivonne; Gehre, Matthias; Richnow, Hans-Hermann

    2015-03-03

    A universal application of compound-specific isotope analysis of chlorine was thus far limited by the availability of suitable analysis techniques. In this study, gas chromatography in combination with a high-temperature conversion interface (GC-HTC), converting organic chlorine in the presence of H2 to gaseous HCl, was coupled to a dual-detection system, combining an ion trap mass spectrometer (MS) and isotope-ratio mass spectrometer (IRMS). The combination of the MS/IRMS detection enabled a detailed characterization, optimization, and online monitoring of the high-temperature conversion process via ion trap MS as well as a simultaneous chlorine isotope analysis by the IRMS. Using GC-HTC-MS/IRMS, chlorine isotope analysis at optimized conversion conditions resulted in very accurate isotope values (δ(37)Cl(SMOC)) for measured reference material with known isotope composition, including chlorinated ethylene, chloromethane, hexachlorocyclohexane, and trichloroacetic acids methyl ester. Respective detection limits were determined to be <15 nmol Cl on column with achieved precision of <0.3‰.

  2. Mutual information optimization for mass spectra data alignment.

    Science.gov (United States)

    Zoppis, Italo; Gianazza, Erica; Borsani, Massimiliano; Chinello, Clizia; Mainini, Veronica; Galbusera, Carmen; Ferrarese, Carlo; Galimberti, Gloria; Sorbi, Sandro; Borroni, Barbara; Magni, Fulvio; Antoniotti, Marco; Mauri, Giancarlo

    2012-01-01

    "Signal" alignments play critical roles in many clinical setting. This is the case of mass spectrometry data, an important component of many types of proteomic analysis. A central problem occurs when one needs to integrate (mass spectrometry) data produced by different sources, e.g., different equipment and/or laboratories. In these cases some form of "data integration'" or "data fusion'" may be necessary in order to discard some source specific aspects and improve the ability to perform a classification task such as inferring the "disease classes'" of patients. The need for new high performance data alignments methods is therefore particularly important in these contexts. In this paper we propose an approach based both on an information theory perspective, generally used in a feature construction problem, and on the application of a mathematical programming task (i.e. the weighted bipartite matching problem). We present the results of a competitive analysis of our method against other approaches. The analysis was conducted on data from plasma/ethylenediaminetetraacetic acid (EDTA) of "control" and Alzheimer patients collected from three different hospitals. The results point to a significant performance advantage of our method with respect to the competing ones tested.

  3. Detection of Pb-LIII edge XANES spectra of urban atmospheric particles combined with simple acid extraction

    International Nuclear Information System (INIS)

    Funasaka, K.; Tojo, T.; Katahira, K.; Shinya, M.; Miyazaki, T.; Kamiura, T.; Yamamoto, O.; Moriwaki, H.; Tanida, H.; Takaoka, M.

    2008-01-01

    Pb-LIII edge XANES spectra of atmospheric particles are directly obtained by fluorescent XAFS spectroscopy using a 19-element solid state detector (SSD). Particulate sample was collected on a quartz fiber filter using a high-volume air sampler, and the filter was cut into small pieces (25 x 25 mm). Then, surface layer of the filter piece was scaled and accumulated in order to enhance the particle density per filter unit. Use of 10 pieces of the surface layer enables the measurement of Pb-LIII edge XANES spectra on beamline BL01B1 at SPring-8, Hyogo, Japan. The shape of the Pb-LIII edge XANES spectra of the particulate sample is similar to the shapes of the spectra for PbS, PbCO 3 , PbSO 4 and/or PbCl 2 . Additionally, the filter sample is also divided into water-soluble, 0.1 M HCl-extractable, and residual fractions of Pb compounds by a simple acid extraction procedure. We discuss the possibility of Pb speciation in the particulate samples with combination of highly sensitive XANES spectroscopy and simple acid extraction

  4. Interaction of a 29 MeV 3He particle beam with a Cl4C vapour target

    International Nuclear Information System (INIS)

    Lleo Morilla, A.

    1963-01-01

    The interactions of a 29 MeV 3 H e particles beam on a Cl 4 C vapour target have been studied using the photographic method. differential cross-sections for the Cl( 3 He, 3 He)Cl elastic scattering and 1 2C( 3 He, α) 1 1C pick-up reaction are shown; the corresponding angular distributions in the centre-of-mass system have been compared with the predictions of optical model and A.B.M. theories. (Author) 21 refs

  5. Reduction behavior of UO22+ in molten LiCl-RbCl and LiCl-KCl eutectics by using tungsten

    Science.gov (United States)

    Nagai, Takayuki; Uehara, Akihiro; Fujii, Toshiyuki; Yamana, Hajimu

    2013-08-01

    The reduction of uranium from UO22+ to UO2+ or U4+ in molten LiCl-RbCl and LiCl-KCl eutectics was examined by using tungsten and chlorine gas. Spectrophotometric technique was adopted to determine the concentration of uranium species. When tungsten was immersed into the LiCl-RbCl eutectic melt at 400 °C without supplying chlorine gas, 36% of the total weight of the hexavalent of UO22+ was reduced to the pentavalent of UO2+. Under purging chlorine gas into the melt, 96% of UO22+ was reduced to the tetravalent of U4+. Tungsten oxy-chloride of WOCl4 was produced via the reductions of UO22+, which was volatized from the melt and adsorbed on the upper part of experimental cell. On the other hand, 84% of UO22+ in the LiCl-KCl eutectic melt at 500 °C was reduced to U4+ by using tungsten and chlorine gas.

  6. The X-Shooter Lens Survey - I. Dark matter domination and a Salpeter-type initial mass function in a massive early-type galaxy

    Science.gov (United States)

    Spiniello, C.; Koopmans, L. V. E.; Trager, S. C.; Czoske, O.; Treu, T.

    2011-11-01

    We present the first results from the X-Shooter Lens Survey: an analysis of the massive early-type galaxy SDSS J1148+1930 at redshift z= 0.444. We combine its extended kinematic profile - derived from spectra obtained with X-Shooter on the European Southern Observatory Very Large Telescope - with strong gravitational lensing and multicolour information derived from Sloan Digital Sky Survey (SDSS) images. Our main results are as follows. (i) The luminosity-weighted stellar velocity dispersion is (≲Reff) = 352 ± 10 ± 16 km s-1, extracted from a rectangular aperture of 1.8 × 1.6 arcsec2 centred on the galaxy, more accurate and considerably lower than a previously published value of ˜450 km s-1. (ii) A single-component (stellar plus dark) mass model of the lens galaxy yields a logarithmic total-density slope of γ'= 1.72+0.05- 0.06 (68 per cent confidence level, CL; ?) within a projected radius of ˜2.16 arcsec. (iii) The projected stellar mass fraction, derived solely from the lensing and dynamical data, is f*(Salp(90 per cent CL and in some cases violate the total lensing-derived mass limit. We conclude that this very massive early-type galaxy is dark-matter-dominated inside one effective radius, consistent with the trend recently found from massive Sloan Lens ACS (SLACS) galaxies, with a total density slope shallower than isothermal and an IMF normalization consistent with Salpeter.

  7. The Spectra Count Label-free Quantitation in Cancer Proteomics

    OpenAIRE

    Zhou, Weidong; Liotta, Lance A.; Petricoin, Emanuel F.

    2012-01-01

    Mass spectrometry is used routinely for large-scale protein identification from complex biological mixtures. Recently, relative quantitation approach on the basis of spectra count has been applied in several cancer proteomic studies. In this review, we examine the mechanism of this technique and highlight several important parameters associated with its application.

  8. Elemental Spectra from the CREAM-I Flight

    CERN Document Server

    Ahn, Hoseok; Bagliesi, M G; Beatty, J J; Bigongiari, G; Boyle, P J; Childers, J T; Conklin, N B; Coutu, S; Duvernois, M A; Ganel, O; Han, J H; Jeon, J A; Kim, K C; Lee, J K; Lee, M H; Lutz, L; Maestro, P; Malinine, A; Marrocchesi, P S; Minnick, S; Mognet, S I; Nam, S; Nutter, S; Park, I H; Park, N H; Seo, E S; Sina, R; Swordy, S; Wakely, S P; Wu, J; Yang, J; Yoon, Y S; Zei, R; Zinn, S Y

    2007-01-01

    The Cosmic Ray Energetics And Mass (CREAM) instrument is a balloon-borne experiment designed to measure the composition and energy spectra of cosmic rays of charge Z = 1 to 26 up to an energy of ∼1015 eV. CREAM had two successful flights on long-duration balloons (LDB) launched from McMurdo Station, Antarctica, in December 2004 and December 2005. CREAM achieves a substantial measurement redundancy by employing multiple detector systems, namely a Timing Charge Detector (TCD), a Silicon Charge Detector (SCD), and a Cherenkov Detector (CD) for particle identification, and a Transition Radiation Detector (TRD) and a sampling tungsten/scintillating-fiber ionization calorimeter (CAL) for energy measurement. In this paper, preliminary energy spectra of various elements measured with CAL/SCD during the first 42-day flight are presented.

  9. Hadronic spectra from collisions of heavy nuclei

    International Nuclear Information System (INIS)

    Jacobs, P.

    1997-03-01

    Hadronic spectra from collisions of heavy ions at ultrarelativistic energies are discussed, concentrating on recent measurements at the SPS of central Pb+Pb collisions at 158 GeV/nucleon, which are compared to collisions of lighter ions and at lower beam energies. Baryon stopping is seen to be larger for heavier systems and lower energies. Total yields of pions and kaons scale with the number of participants in central collisions at the SPS; in particular, the K/π ratio is constant between central S+S and Pb+Pb at the SPS. Transverse mass spectra indicate significantly larger radial flow for the heavier systems. At midrapidity, an enhancement of - >/ + > and - >/ + > at low P T are best explained by final state Coulomb interaction with the residual charge of the fireball

  10. Interaction of a 29 MeV 3{sup H}e particle beam with a Cl{sub 4}C vapour target; Interacciones de He{sup 3} de 29 MeV en un blanco de Cl{sub 4}C

    Energy Technology Data Exchange (ETDEWEB)

    Lleo Morilla, A

    1963-07-01

    The interactions of a 29 MeV 3{sup H}e particles beam on a Cl{sub 4}C vapour target have been studied using the photographic method. differential cross-sections for the Cl({sup 3}He, {sup 3}He)Cl elastic scattering and {sup 1}2C({sup 3}He, {alpha}){sup 1}1C pick-up reaction are shown; the corresponding angular distributions in the centre-of-mass system have been compared with the predictions of optical model and A.B.M. theories. (Author) 21 refs.

  11. Effect of Al2O3 nanoparticles in plasticized PMMA-LiClO4 based solid polymer electrolyte

    Science.gov (United States)

    Pal, P.; Ghosh, A.

    2017-05-01

    We have studied the broadband complex conductivity spectra covering a 0.01 Hz-3 GHz frequency range for plasticized PMMA-LiClO4 based solid polymer electrolyte embedded with Al2O3 nanoparticle. We have analyzed the conductivity spectra using the random free-energy barrier model (RBM) coupled with electrode polarization contribution in the low frequency region and at high temperatures. The temperature dependence of the ionic conductivity obtained from the analysis has been analyzed using Vogel-Tammann-Fulcher equation. The maximum ionic conductivity ˜ 1.93×10-4 S/cm has been obtained for 1 wt% Al2O3 nanoparticle.

  12. Cyclic voltammetric study of the reduction of U(III) to uranium metal in molten LiCl-NaCl-CaCl2-BaCl2-UCl3

    International Nuclear Information System (INIS)

    Poa, D.S.; Tomczuk, Z.; Steunenberg, R.K.

    1986-01-01

    Cyclic voltammetry was used to investigate the electrochemistry of the reduction of UCl 3 to uranium metal in molten LiCl-NaCl-CaCl 2 -BaCl 2 (49.7-8.0-26.5-15.8 mol %) containing dissolved UCl 3 . The purpose of the study was to obtain information on the kinetics of the reaction, which will be used in the design of electrorefining equipment for the reprocessing of core and blanket fuel discharged from the Integral Fast Reactor (IFR). The electrorefining operation employs the above salt as the electrolyte and a liquid cadmium pool as the anode

  13. Bonding in d9 complexes derived from EPR: Application to CuCl2-4, CuBr2-4, and CdCl2:Cu2+

    Science.gov (United States)

    Aramburu, J. A.; Moreno, M.

    1985-12-01

    In this work are reported the theoretical expressions for the [g], hyperfine, and superhyperfine (shf) tensors of a d9 square-planar complex within a molecular orbital (MO) scheme. These expressions include contributions arising from crystal field and charge transfer excitations calculated up to third and second order perturbations, respectively. This makes the present framework more general than those previously used. Through those expressions we have derived from the experimental EPR and optical data the MO coefficients corresponding to the valence b1g(x2-y2), b2g(xy), and eg(xz,yz) levels and also the core polarization contribution K to the hyperfine tensor for the systems CuCl2-4, CuBr2-4, and CdCl2:Cu2+. The 3d charge obtained for CuCl2-4 is equal to 0.61, 0.83, and 0.85 for the antibonding 3b1g, 2b2g, and 2eg levels, respectively. These figures are much closer to the Xα results by Bencini and Gatteschi [J. Am. Chem. Soc. 105, 5535 (1983)] than to those by Desjardins et al. [J. Am. Chem. Soc. 105, 4590 (1983)]. The σ and π covalency for CuBr2-4 are both higher than for CuCl2-4 in accord to the lower electronegativity for bromine. However, only for the antibonding 3b1g level of CuBr2-4 have we obtained an electronic charge lying mainly on ligands. The covalency of CdCl2:Cu2+ is smaller than that found for CuCl2-4, a fact associated to a higher metal-ligand distance for the former. Evidence of this statement are also given from the analysis of crystal-field spectra and isotropic shf constant. The values of K derived for CuCl2-4 (128.1×10-4 cm-1), CuBr2-4 (103.6×10-4 cm-1), and CdCl2:Cu2+ (123.9×10-4 cm-1) point out the dependence of K on the equatorial covalency but also on the existence of axial ligands. The [g] tensor of CuBr2-4 is dominated by the charge transfer contribution while the crystal field one is negative. Finally an analysis of the importance of each one of the involved contributions to the spin-Hamiltonian parameters is reported for the

  14. The murine choroid plexus epithelium expresses the 2Cl-/H+-exchanger ClC-7 and Na+/H+ exchanger NHE6 in the luminal membrane domain

    DEFF Research Database (Denmark)

    Damkier, Helle H; Christensen, Henriette L; Christensen, Inga B

    2017-01-01

    , but the pH value seems nonetheless maintained within narrow limits, even when faced with acid/base challenges. The involvement of choroid plexus acid/base transporters in CSF pH regulation is highlighted by the expression of several acid/base transporters in the epithelium. The aim of the current study...... was to identify novel acid/base transporters expressed in the luminal membrane of the choroid plexus epithelium to pave the way for systematic investigations of each candidate transporter in the regulation of CSF pH. Mass spectrometry analysis of proteins from epithelial cells isolated by fluorescence activated...... cell sorting identified the Cl-/H+ exchangers ClC-3, -4, -5, and -7 in addition to known choroid plexus acid/base transporters. RT-PCR on FACS isolated epithelial cells confirmed the expression of the corresponding mRNAs, as well as NHE6 mRNA. Both NHE6 and ClC-7 were immunolocalized to the luminal...

  15. Proteomic analysis of the response to NaCl stress of Lactobacillus bulgaricus.

    Science.gov (United States)

    Li, Chun; Li, Pei-Zhao; Sun, Jin-Wei; Huo, Gui-Cheng; Liu, Li-Bo

    2014-11-01

    Lactobacillus bulgaricus is commonly used in dairy products as a starter culture. Its viability during freeze-drying is of commercial interest. Here a significant (p bulgaricus ATCC 11842 was achieved during freeze-drying when it was prestressed with 2 % (w/v) NaCl for 2 h in the late growth phase. To understand the mechanism of this stress-related viability improvement in L. bulgaricus, protein synthesis was analyzed by 2D difference gel electrophoresis. Nine protein spots were significantly altered by NaCl and were subsequently identified by peptide mass fingerprinting. The functions of the proteins included stress-related protein synthesis, amino acid biosynthesis, nucleotide biosynthesis, sugar metabolism, transport systems, and vitamin biosynthesis. These findings provide a considerable background regarding the NaCl stress response of L. bulgaricus.

  16. Modeling the chemistry of plasma polymerization using mass spectrometry.

    Science.gov (United States)

    Ihrig, D F; Stockhaus, J; Scheide, F; Winkelhake, Oliver; Streuber, Oliver

    2003-04-01

    The goal of the project is a solvent free painting shop. The environmental technologies laboratory is developing processes of plasma etching and polymerization. Polymerized thin films are first-order corrosion protection and primer for painting. Using pure acetylene we get very nice thin films which were not bonded very well. By using air as bulk gas it is possible to polymerize, in an acetylene plasma, well bonded thin films which are stable first-order corrosion protections and good primers. UV/Vis spectroscopy shows nitrogen oxide radicals in the emission spectra of pure nitrogen and air. But nitrogen oxide is fully suppressed in the presence of acetylene. IR spectroscopy shows only C=O, CH(2) and CH(3) groups but no nitrogen species. With the aid of UV/Vis spectra and the chemistry of ozone formation it is possible to define reactive traps and steps, molecule depletion and processes of proton scavenging and proton loss. Using a numerical model it is possible to evaluate these processes and to calculate theoretical mass spectra. Adjustment of theoretical mass spectra to real measurements leads to specific channels of polymerization which are driven by radicals especially the acetyl radical. The estimated theoretical mass spectra show the specific channels of these chemical processes. It is possible to quantify these channels. This quantification represents the mass flow through this chemical system. With respect to these chemical processes it is possible to have an idea of pollutant production processes.

  17. Ion Mobility Mass Spectrometry for Extracting Spectra of N-Glycans Directly from Incubation Mixtures Following Glycan Release: Application to Glycans from Engineered Glycoforms of Intact, Folded HIV gp120

    Science.gov (United States)

    Harvey, David J.; Sobott, Frank; Crispin, Max; Wrobel, Antoni; Bonomelli, Camille; Vasiljevic, Snezana; Scanlan, Christopher N.; Scarff, Charlotte A.; Thalassinos, Konstantinos; Scrivens, James H.

    2011-03-01

    The analysis of glycosylation from native biological sources is often frustrated by the low abundances of available material. Here, ion mobility combined with electrospray ionization mass spectrometry have been used to extract the spectra of N-glycans released with PNGase F from a serial titration of recombinantly expressed envelope glycoprotein, gp120, from the human immunodeficiency virus (HIV). Analysis was also performed on gp120 expressed in the α-mannosidase inhibitor, and in a matched mammalian cell line deficient in GlcNAc transferase I. Without ion mobility separation, ESI spectra frequently contained no observable ions from the glycans whereas ions from other compounds such as detergents and residual buffer salts were abundant. After ion mobility separation on a Waters T-wave ion mobility mass spectrometer, the N-glycans fell into a unique region of the ion mobility/ m/z plot allowing their profiles to be extracted with good signal:noise ratios. This method allowed N-glycan profiles to be extracted from crude incubation mixtures with no clean-up even in the presence of surfactants such as NP40. Furthermore, this technique allowed clear profiles to be obtained from sub-microgram amounts of glycoprotein. Glycan profiles were similar to those generated by MALDI-TOF MS although they were more susceptible to double charging and fragmentation. Structural analysis could be accomplished by MS/MS experiments in either positive or negative ion mode but negative ion mode gave the most informative spectra and provided a reliable approach to the analysis of glycans from small amounts of glycoprotein.

  18. Radio synchrotron spectra of star-forming galaxies

    Science.gov (United States)

    Klein, U.; Lisenfeld, U.; Verley, S.

    2018-03-01

    We investigated the radio continuum spectra of 14 star-forming galaxies by fitting nonthermal (synchrotron) and thermal (free-free) radiation laws. The underlying radio continuum measurements cover a frequency range of 325 MHz to 24.5 GHz (32 GHz in case of M 82). It turns out that most of these synchrotron spectra are not simple power-laws, but are best represented by a low-frequency spectrum with a mean slope αnth = 0.59 ± 0.20 (Sν ∝ ν-α), and by a break or an exponential decline in the frequency range of 1-12 GHz. Simple power-laws or mildly curved synchrotron spectra lead to unrealistically low thermal flux densities, and/or to strong deviations from the expected optically thin free-free spectra with slope αth = 0.10 in the fits. The break or cutoff energies are in the range of 1.5-7 GeV. We briefly discuss the possible origin of such a cutoff or break. If the low-frequency spectra obtained here reflect the injection spectrum of cosmic-ray electrons, they comply with the mean spectral index of Galactic supernova remnants. A comparison of the fitted thermal flux densities with the (foreground-corrected) Hα fluxes yields the extinction, which increases with metallicity. The fraction of thermal emission is higher than believed hitherto, especially at high frequencies, and is highest in the dwarf galaxies of our sample, which we interpret in terms of a lack of containment in these low-mass systems, or a time effect caused by a very young starburst.

  19. Predicting charmonium and bottomonium spectra with a quark harmonic oscillator

    Science.gov (United States)

    Norbury, J. W.; Badavi, F. F.; Townsend, L. W.

    1986-01-01

    The nonrelativistic quark model is applied to heavy (nonrelativistic) meson (two-body) systems to obtain sufficiently accurate predictions of the spin-averaged mass levels of the charmonium and bottomonium spectra as an example of the three-dimensional harmonic oscillator. The present calculations do not include any spin dependence, but rather, mass values are averaged for different spins. Results for a charmed quark mass value of 1500 MeV/c-squared show that the simple harmonic oscillator model provides good agreement with experimental values for 3P states, and adequate agreement for the 3S1 states.

  20. Visible laser induced positive ion emissions from NaCl nanoparticles prepared by droplet rapid drying

    International Nuclear Information System (INIS)

    Sun, Mao-Xu; Guo, Deng-Zhu; Xing, Ying-Jie; Zhang, Geng-Min

    2012-01-01

    Highlights: ► NaCl nanoparticles were firstly prepared by heat induced explosion on silicon wafer. ► We found that laser induced ion emissions from NaCl nanoparticles are more prominent. ► We found that water adsorption can efficiently enhance laser induced ion emissions. ► The ultra-photothermal effect in NaCl nanoparticles was observed and explained. - Abstract: A novel convenient way for the formation of sodium chloride (NaCl) nanoparticles on silicon wafer is proposed by using a droplet rapid drying method. The laser induced positive ion emissions from NaCl nanoparticles with and without water treatment is demonstrated by using a laser desorption/ionization time-of-flight mass spectrometer, with laser intensity well below the plasma formation threshold. It is found that the positive ion emissions from NaCl nanoparticles are obviously higher than that from microsize NaCl particles under soft 532 nm laser irradiations, and water adsorption can efficiently enhance the ion emissions from NaCl nanoparticles. The initial kinetic energies of the emitted ions are estimated as 16–17 eV. The synergy of the ultra-thermal effect in nanomaterials, the defect-mediated multiphoton processes, and the existence of intermediate states in NaCl-water interfaces are suggested as the mechanisms.

  1. U4+ spectroscopic properties in Dsub(2d) with ThCl4, UCl4 and ThSiO4

    International Nuclear Information System (INIS)

    Khan Malek, C.

    1985-01-01

    This thesis is concerned with the study of the electronic structure of the tetravalent actinide ions in solid state. The technique used was high resolution optical spectroscopy. We deal with the U 4+ ion (sf 2 ) in the monocrystals ThCl 4 , UCl 4 , and ThSiO 4 where the U 4+ ion is substituded for the Th 4+ ion by doping. Visible and infrared optical spectra were recorded between 300 and 4.2K. With these three compounds, it is possible to compare the influence of different environments of Dsub(2d) symmetry: real symmetry for U 4+ in UCl 4 and ThSiO 4 ; approximate symmetry in ThCl 4 , whose structure is incommensurate and modulated at low temperature. The fitting of the data was carried out by diagonalizing the hamiltonian which describes the interactions of the U 4+ ion in a crystal field with its environment. This fitting procedure led to a coherent set of spectroscopic parameters. The fluorescence of U 4+ was observed in ThCl 4 and ThSiO 4 and the effect of the incommensurate structure of ThCl 4 on the optical spectra was studied. The symmetry of the U 4+ sites was identified by site selective excitation experiments and a relationship between the incommensurate structure and the lifetime of U 4+ energy levels was found. In conclusion, the U 4+ energy levels in a relatively low crystal field were determined for compounds that have a similar coordination polyhedron about the actinide ion. The values for these energy levels were then compared to those of lanthanide and 3d elements [fr

  2. Sugarcane bagasse pretreatment using three imidazolium-based ionic liquids; mass balances and enzyme kinetics

    Directory of Open Access Journals (Sweden)

    Karatzos Sergios

    2012-08-01

    Full Text Available Abstract Background Effective pretreatment is key to achieving high enzymatic saccharification efficiency in processing lignocellulosic biomass to fermentable sugars, biofuels and value-added products. Ionic liquids (ILs, still relatively new class of solvents, are attractive for biomass pretreatment because some demonstrate the rare ability to dissolve all components of lignocellulosic biomass including highly ordered (crystalline cellulose. In the present study, three ILs, 1-butyl-3-methylimidazolium chloride ([C4mim]Cl, 1-ethyl-3-methylimidazolium chloride ([C2mim]Cl, 1-ethyl-3-methylimidazolium acetate ([C2mim]OAc are used to dissolve/pretreat and fractionate sugarcane bagasse. In these IL-based pretreatments the biomass is completely or partially dissolved in ILs at temperatures greater than 130°C and then precipitated by the addition of an antisolvent to the IL biomass mixture. For the first time mass balances of IL-based pretreatments are reported. Such mass balances, along with kinetics data, can be used in process modelling and design. Results Lignin removals of 10% mass of lignin in bagasse with [C4mim]Cl, 50% mass with [C2mim]Cl and 60% mass with [C2mim]OAc, are achieved by limiting the amount of water added as antisolvent to 0.5 water:IL mass ratio thus minimising lignin precipitation. Enzyme saccharification (24 h, 15FPU yields (% cellulose mass in starting bagasse from the recovered solids rank as: [C2mim]OAc(83% > >[C2mim]Cl(53% = [C4mim]Cl(53%. Composition of [C2mim]OAc-treated solids such as low lignin, low acetyl group content and preservation of arabinosyl groups are characteristic of aqueous alkali pretreatments while those of chloride IL-treated solids resemble aqueous acid pretreatments. All ILs are fully recovered after use (100% mass as determined by ion chromatography. Conclusions In all three ILs regulated addition of water as an antisolvent effected a polysaccharide enriched precipitate since some of the lignin

  3. Activation Measurements for Thermal Neutrons, U.S. Measurements of 36Cl in Mineral Samples from Hiroshima and Nagasaki; and Measurement of 63 Ni in Copper Samples From Hiroshima by Accelerator Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Tore Straume; Alfredo A. Marchetti; Stephen D. Egbert; James A. Roberts; Ping Men; Shoichiro Fujita; Kiyoshi Shizuma; Masaharu Hoshi; G. Rugel; W. Ruhm; G. Korschinek; J. E. McAninch; K. L. Carroll; T. Faestermann; K. Knie; R. E. Martinelli; A. Wallner; C. Wallner

    2005-01-14

    The present paper presents the {sup 36}Cl measurement effort in the US. A large number of {sup 36}Cl measurements have been made in both granite and concrete samples obtained from various locations and distances in Hiroshima and Nagasaki. These measurements employed accelerator mass spectrometry (AMS) to quantify the number of atoms of {sup 36}Cl per atom of total Cl in the sample. Results from these measurements are presented here and discussed in the context of the DS02 dosimetry reevaluation effort for Hiroshima and Nagasaki atomic-bomb survivors. The production of {sup 36}Cl by bomb neutrons in mineral samples from Hiroshima and Nagasaki was primarily via the reaction {sup 35}Cl(n,{gamma}){sup 36}Cl. This reaction has a substantial thermal neutron cross-section (43.6 b at 0.025 eV) and the product has a long half-life (301,000 y). hence, it is well suited for neutron-activation detection in Hiroshima and Nagasaki using AMS more than 50 years after the bombings. A less important reaction for bomb neutrons, {sup 39}K(n,{alpha}){sup 36}Cl, typically produces less than 10% of the {sup 36}Cl in mineral samples such as granite and concrete, which contain {approx} 2% potassium. In 1988, only a year after the publication of the DS86 final report (Roesch 1987), it was demonstrated experimentally that {sup 36}Cl measured using AMS should be able to detect the thermal neutron fluences at the large distances most relevant to the A-bomb survivor dosimetry. Subsequent measurements in mineral samples from both Hiroshima and Nagasaki validated the experimental findings. The potential utility of {sup 36}Cl as a thermal neutron detector in Hiroshima was first presented by Haberstock et al. who employed the Munich AMS facility to measure {sup 36}Cl/Cl ratios in a gravestone from near the hypocenter. That work subsequently resulted in an expanded {sup 36}Cl effort in Germany that paralleled the US work. More recently, there have also been {sup 36}Cl measurements made by a Japanese

  4. Intermediate-range chemical ordering of cations in molten RbCl-AgCl

    Energy Technology Data Exchange (ETDEWEB)

    Tahara, S. [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, Okinawa 903-0213 (Japan); Research and Utilization Division, Japan Synchrotron Radiation Research Institute (JASRI, SPring-8), Hyogo 679-5198 (Japan); Kawakita, Y. [J-PARC Center, Japan Atomic Energy Agency (JAEA), Ibaraki 319-1195 (Japan); Shimakura, H. [Faculty of Pharmacy, Niigata University of Pharmacy and Applied Life Sciences, Niigata 956-8603 (Japan); Ohara, K. [Research and Utilization Division, Japan Synchrotron Radiation Research Institute (JASRI, SPring-8), Hyogo 679-5198 (Japan); Fukami, T. [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, Okinawa 903-0213 (Japan); Takeda, S. [Department of Physics, Faculty of Sciences, Kyushu University, Fukuoka 812-8581 (Japan)

    2015-07-28

    A first sharp diffraction peak (FSDP) is observed in the X-ray total structure factor of a molten mixture of RbCl-AgCl, while both pure melts of RbCl and AgCl do not exhibit FSDP individually. Molecular dynamics simulations were performed to investigate the origin of the FSDP with the polarizable ion model (PIM). Coexistence of covalent Ag–Cl and ionic Rb–Cl bonds leads the system to evolve intermediate range ordering, which is simulated by introducing the induced polarization in different ways between Ag–Cl with fully polarizable treatment based on Vashishta-Raman potential and Rb–Cl with suppression over-polarization in the nearest neighbor contribution based on Born-Meyer potential. The partial structure factors for both the Ag–Ag and Rb–Rb correlations, S{sub AgAg}(Q) and S{sub RbRb}(Q), show a positive contribution to the FSDP, while S{sub AgRb}(Q) for the Ag–Rb correlation exhibits a negative contribution, indicating that Ag and Rb ions are distributed in an alternating manner within the intermediate-range length scale. The origin of the intermediate-range chemical ordering of cations can be ascribed to the preferred direction of the dipole moments of anions in the PIM.

  5. Intermediate-range chemical ordering of cations in molten RbCl-AgCl

    International Nuclear Information System (INIS)

    Tahara, S.; Kawakita, Y.; Shimakura, H.; Ohara, K.; Fukami, T.; Takeda, S.

    2015-01-01

    A first sharp diffraction peak (FSDP) is observed in the X-ray total structure factor of a molten mixture of RbCl-AgCl, while both pure melts of RbCl and AgCl do not exhibit FSDP individually. Molecular dynamics simulations were performed to investigate the origin of the FSDP with the polarizable ion model (PIM). Coexistence of covalent Ag–Cl and ionic Rb–Cl bonds leads the system to evolve intermediate range ordering, which is simulated by introducing the induced polarization in different ways between Ag–Cl with fully polarizable treatment based on Vashishta-Raman potential and Rb–Cl with suppression over-polarization in the nearest neighbor contribution based on Born-Meyer potential. The partial structure factors for both the Ag–Ag and Rb–Rb correlations, S AgAg (Q) and S RbRb (Q), show a positive contribution to the FSDP, while S AgRb (Q) for the Ag–Rb correlation exhibits a negative contribution, indicating that Ag and Rb ions are distributed in an alternating manner within the intermediate-range length scale. The origin of the intermediate-range chemical ordering of cations can be ascribed to the preferred direction of the dipole moments of anions in the PIM

  6. Electronic Absorption and MCD Spectra for Pd(AuPPh(3))(8)(2+), Pt(AuPPh(3))(8)(2+), and Related Platinum-Centered Gold Cluster Complexes.

    Science.gov (United States)

    Adrowski, Michael J.; Mason, W. Roy

    1997-03-26

    Electronic absorption and 7.0 T magnetic circular dichroism (MCD) spectra in the UV-vis region, 1.6 to approximately 4.0 &mgr;m(-)(1) (1 &mgr;m(-)(1) = 10(4) cm(-)(1)) are reported for [Pd(AuPPh(3))(8)](NO(3))(2) and [Pt(AuPPh(3))(8)](NO(3))(2) in acetonitrile solutions at room temperature. The MCD spectra are better resolved than the absorption spectra and consist of both A and B terms. The spectra are interpreted in terms of D(4)(d)() skeletal geometry and MO's that are approximated by 5s and 6s orbitals for Pd and Pt/Au atoms, respectively. The lowest energy excited configurations and states are attributed to intraframework (IF) Au(8)(2+) transitions. Evidence is also presented for Pt 5d --> Au 6s transitions in the MCD spectra for Pt(AuPPh(3))(8)(2+). Acetonitrile solution absorption and MCD spectra for the related Pt-centered cluster complexes [Pt(CO)(AuPPh(3))(8)](NO(3))(2), [Pt(AuP(p-tolyl)(3))(8)](NO(3))(2), [Pt(CuCl)(AuPPh(3))(8)](NO(3))(2), [Pt(AgNO(3))(AuPPh(3))(8)](NO(3))(2), [Pt(Hg)(2)(AuPPh(3))(8)](NO(3))(2), [Pt(HgCl)(2)(AuPPh(3))(8)](BF(4))(2), and [Pt(HgNO(3))(2)(AuPPh(3))(8)](BF(4))(2) are also reported and interpreted within the context of the model developed for the M(AuPPh(3))(8)(2+) complexes.

  7. ZnCl 2- and NH 4Cl-hydroponics gel electrolytes for zinc-carbon batteries

    Science.gov (United States)

    Khalid, N. H.; Ismail, Y. M. Baba; Mohamad, A. A.

    Absorbency testing is used to determine the percentage of ZnCl 2 or NH 4Cl solution absorbed by a hydroponics gel (HPG). It is found that the absorbency of ZnCl 2 or NH 4Cl solution decreases with increasing solution concentration. The conductivity of ZnCl 2- and NH 4Cl-HPG electrolytes is dependent on the solution concentration. A mixture of salt solution with HPG yields excellent gel polymer electrolytes with conductivities of 0.026 and 0.104 S cm -1 at 3 M ZnCl 2 and 7 M NH 4Cl, respectively. These gel electrolytes are then used to produce zinc-carbon cells. The fabricated cells give capacities of 8.8 and 10.0 mAh, have an internal resistance of 25.4 and 19.8 Ω, a maximum power density of 12.7 and 12.2 mW cm -2, and a short-circuit current density of 29.1 and 33.9 mA cm -2 for ZnCl 2- and NH 4Cl-HPG electrolytes, respectively.

  8. A mass graph-based approach for the identification of modified proteoforms using top-down tandem mass spectra.

    Science.gov (United States)

    Kou, Qiang; Wu, Si; Tolic, Nikola; Paša-Tolic, Ljiljana; Liu, Yunlong; Liu, Xiaowen

    2017-05-01

    Although proteomics has rapidly developed in the past decade, researchers are still in the early stage of exploring the world of complex proteoforms, which are protein products with various primary structure alterations resulting from gene mutations, alternative splicing, post-translational modifications, and other biological processes. Proteoform identification is essential to mapping proteoforms to their biological functions as well as discovering novel proteoforms and new protein functions. Top-down mass spectrometry is the method of choice for identifying complex proteoforms because it provides a 'bird's eye view' of intact proteoforms. The combinatorial explosion of various alterations on a protein may result in billions of possible proteoforms, making proteoform identification a challenging computational problem. We propose a new data structure, called the mass graph, for efficient representation of proteoforms and design mass graph alignment algorithms. We developed TopMG, a mass graph-based software tool for proteoform identification by top-down mass spectrometry. Experiments on top-down mass spectrometry datasets showed that TopMG outperformed existing methods in identifying complex proteoforms. http://proteomics.informatics.iupui.edu/software/topmg/. xwliu@iupui.edu. Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

  9. Electric conductivity of PCl{sub 5}-ZrCl{sub 4}, PCl{sub 5}-TaCl{sub 5}, and PCl{sub 5}-MoCl{sub 5} molten mixtures; Ehlektroprovodnost` rasplavlennykh sistem PCl{sub 5}-ZrCl{sub 4}, PCl{sub 5}-TaCl{sub 5}, i PCl{sub 5}-MoCl{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Salyulev, A B; Red` kin, A A; Moskalenko, N I [Inst. Vysokotemperaturnoj Ehlektrokhimii UrO RAN, Ekaterinburg (Russian Federation)

    1997-05-01

    When mixing individual molecular melts of PCl{sub 5} with ZrCl{sub 4}, TaCl{sub 5} or with MoCl{sub 5}, an essential (by several orders) increase in electric conductivity (up to 0.02-0.1 Ohm{sup -1}{center_dot}cm{sup -1}), which stems, in all probability, from the appearance of complex ions PCl{sub 4}{sup +}, ZrCl{sub 5}{sup -}, ZrCl{sub 6}{sup 2-}, TaCl{sub 5}{sup -} and MoCl{sub 6}{sup -} in the molten mixtures as a result of chemical interaction. 12 refs., 3 figs., 1 tab.

  10. Kinetic study on the chlorination of β-spodumene for lithium extraction with Cl2 gas

    International Nuclear Information System (INIS)

    Barbosa, L.I.; Valente, N.G.; González, J.A.

    2013-01-01

    Highlights: ► β-Spodumene was chlorinated to extract lithium with pure chlorine. ► The kinetics of the chlorination was studied in the range of 1000–1100 °C. ► Cl 2 flow rate, sample mass, and Cl 2 partial pressure were the operating variables. ► Experimental data were best fitted by the sequential nucleation and growth model. - Abstract: In this paper, the kinetics chlorination of β-spodumene for the extraction of lithium has been studied using gaseous chlorine as chlorinating agent. The effect of chlorine flow rate, temperature, mass of the sample, and partial pressure of Cl 2 was investigated. The study of the effect of chlorine flow rate indicated that the chlorination of β-spodumene may be carried out in the presence of active chlorinating species The chlorine partial pressure was found to have an appreciable effect on the system reactivity. The temperature was found to be the most important variable affecting the reaction rate. The β-spodumene chlorination process by Cl 2 was characterized by an apparent activation energy of about 359 kJ/mol in the range from 1000 to 1100 °C. Reaction was of non-catalytic gas–solid nature and experimental data fitted the sequential nucleation and growth model

  11. Cognitive load in distributed and massed practice in virtual reality mastoidectomy simulation.

    Science.gov (United States)

    Andersen, Steven Arild Wuyts; Mikkelsen, Peter Trier; Konge, Lars; Cayé-Thomasen, Per; Sørensen, Mads Sølvsten

    2016-02-01

    Cognitive load theory states that working memory is limited. This has implications for learning and suggests that reducing cognitive load (CL) could promote learning and skills acquisition. This study aims to explore the effect of repeated practice and simulator-integrated tutoring on CL in virtual reality (VR) mastoidectomy simulation. Prospective trial. Forty novice medical students performed 12 repeated virtual mastoidectomy procedures in the Visible Ear Simulator: 21 completed distributed practice with practice blocks spaced in time and 19 participants completed massed practice (all practices performed in 1 day). Participants were randomized for tutoring with the simulator-integrated tutor function. Cognitive load was estimated by measuring reaction time in a secondary task. Data were analyzed using linear mixed models for repeated measurements. The mean reaction time increased by 37% during the procedure compared with baseline, demonstrating that the procedure placed substantial cognitive demands. Repeated practice significantly lowered CL in the distributed practice group but not in massed practice group. In addition, CL was found to be further increased by 10.3% in the later and more complex stages of the procedure. The simulator-integrated tutor function did not have an impact on CL. Distributed practice decreased CL in repeated VR mastoidectomy training more consistently than was seen in massed practice. This suggests a possible effect of skills and memory consolidation occurring over time. To optimize technical skills learning, training should be organized as time-distributed practice rather than as a massed block of practice, which is common in skills-training courses. N/A. © 2015 The American Laryngological, Rhinological and Otological Society, Inc.

  12. The energy of hydration and solvation of indium salts in the acetylacetone-InCl3-water system

    International Nuclear Information System (INIS)

    Kulawik, I.; Baumgartner, T.

    1978-01-01

    On the base of the previous papers concerning the investigations in the extraction systems the experiments were performed for the determination of thermodynamical distribution coefficient of indium salts between two phases in the system: acetylacetone-InCl 3 -water and the energy of hydration and solvation of that system. The results of the surface and interfacial potentials measurements of the system were presented as a function of the InCl 3 concentration in the system before the extraction. The extraction coefficients of indium as a function of concentration of InCl 3 in this system were determined. The method of the visible absorption spectra was used to the determination of concentration of indium in both phases after the extraction. The relation between the percentage of the extraction and the extraction coefficient was determined. The investigations were performed in the system containing 0.1 M HCl and 0.001 M HCl in the aqueous phase. The results of experiments are tabulated and graphically presented in figures. (author)

  13. Exciton spectra and energy band structure of Cu{sub 2}ZnSiSe{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Guc, M., E-mail: gmax@phys.asm.md [Institute of Applied Physics, Academy of Sciences of Moldova, Academiei Str. 5, Chisinau MD 2028, Republic of Moldova (Moldova, Republic of); Levcenko, S. [Helmholtz Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Dermenji, L. [Institute of Applied Physics, Academy of Sciences of Moldova, Academiei Str. 5, Chisinau MD 2028, Republic of Moldova (Moldova, Republic of); Gurieva, G. [Helmholtz Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Schorr, S. [Helmholtz Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Free University Berlin, Institute of Geological Sciences, Malteserstr. 74-100, Berlin (Germany); Syrbu, N.N. [Technical University of Moldova, Chisinau MD-2004, Republic of Moldova (Moldova, Republic of); Arushanov, E. [Institute of Applied Physics, Academy of Sciences of Moldova, Academiei Str. 5, Chisinau MD 2028, Republic of Moldova (Moldova, Republic of)

    2014-02-25

    Highlights: • Reflection spectra of Cu{sub 2}ZnSiSe{sub 4} were studied for E ⊥ c and E || c light polarizations. • Four excitonic series are revealed in the reflection spectra at 10 K. • Model of exciton dispersion and the presence of a dead-layer. • Exciton Rydberg energies and free carriers effective masses were calculated. • Reflectivity for E ⊥ c and E || c were analyzed in the region 3–6 eV at 300 K. -- Abstract: Exciton spectra are studied in Cu{sub 2}ZnSiSe{sub 4} single crystals at 10 and 300 K by means of reflection spectroscopy. The exciton parameters, dielectric constant and free carriers effective masses are deduced from experimental spectra by calculations in the framework of a model taking into account the spatial dispersion and the presence of a dead-layer. The structure found in the reflectivity was analyzed and related to the theoretical electronic band structure of close related Cu{sub 2}ZnSiS{sub 4} semiconductor.

  14. Screening halogenated environmental contaminants in biota based on isotopic pattern and mass defect provided by high resolution mass spectrometry profiling

    International Nuclear Information System (INIS)

    Cariou, Ronan; Omer, Elsa; Léon, Alexis; Dervilly-Pinel, Gaud; Le Bizec, Bruno

    2016-01-01

    In the present work, we addressed the question of global seeking/screening organohalogenated compounds in a large panel of complex biological matrices, with a particular focus on unknown chemicals that may be considered as potential emerging hazards. A fishing strategy was developed based on untargeted profiling among full scan acquisition datasets provided by high resolution mass spectrometry. Since large datasets arise from such profiling, filtering useful information stands as a central question. In this way, we took advantage of the exact mass differences between Cl and Br isotopes. Indeed, our workflow involved an innovative Visual Basic for Applications script aiming at pairing features according to this mass difference, in order to point out potential organohalogenated clusters, preceded by an automated peak picking step based on the centWave function (xcms package of open access R programming environment). Then, H/Cl-scale mass defect plots were used to visualize the datasets before and after filtering. The filtering script was successfully applied to a dataset generated upon liquid chromatography coupled to ESI(−)-HRMS measurement from one eel muscle extract, allowing for realistic manual investigations of filtered clusters. Starting from 9789 initial obtained features, 1994 features were paired in 589 clusters. Hexabromocyclododecane, chlorinated paraffin series and various other compounds have been identified or tentatively identified, allowing thus broad screening of organohalogenated compounds in this extract. Although realistic, manual review of paired clusters remains time consuming and much effort should be devoted to automation. - Highlights: • We address the screening of halogenated compounds in large Full Scan HRMS datasets. • The workflow involves peak picking, pairing script and review of paired features. • The pairing script is based on exact mass differences between Cl and Br isotopes. • H/Cl scale mass defect plots are used to

  15. Screening halogenated environmental contaminants in biota based on isotopic pattern and mass defect provided by high resolution mass spectrometry profiling

    Energy Technology Data Exchange (ETDEWEB)

    Cariou, Ronan, E-mail: laberca@oniris-nantes.fr; Omer, Elsa; Léon, Alexis; Dervilly-Pinel, Gaud; Le Bizec, Bruno

    2016-09-14

    In the present work, we addressed the question of global seeking/screening organohalogenated compounds in a large panel of complex biological matrices, with a particular focus on unknown chemicals that may be considered as potential emerging hazards. A fishing strategy was developed based on untargeted profiling among full scan acquisition datasets provided by high resolution mass spectrometry. Since large datasets arise from such profiling, filtering useful information stands as a central question. In this way, we took advantage of the exact mass differences between Cl and Br isotopes. Indeed, our workflow involved an innovative Visual Basic for Applications script aiming at pairing features according to this mass difference, in order to point out potential organohalogenated clusters, preceded by an automated peak picking step based on the centWave function (xcms package of open access R programming environment). Then, H/Cl-scale mass defect plots were used to visualize the datasets before and after filtering. The filtering script was successfully applied to a dataset generated upon liquid chromatography coupled to ESI(−)-HRMS measurement from one eel muscle extract, allowing for realistic manual investigations of filtered clusters. Starting from 9789 initial obtained features, 1994 features were paired in 589 clusters. Hexabromocyclododecane, chlorinated paraffin series and various other compounds have been identified or tentatively identified, allowing thus broad screening of organohalogenated compounds in this extract. Although realistic, manual review of paired clusters remains time consuming and much effort should be devoted to automation. - Highlights: • We address the screening of halogenated compounds in large Full Scan HRMS datasets. • The workflow involves peak picking, pairing script and review of paired features. • The pairing script is based on exact mass differences between Cl and Br isotopes. • H/Cl scale mass defect plots are used to

  16. OpenCL programming guide

    CERN Document Server

    Munshi, Aaftab; Mattson, Timothy G; Fung, James; Ginsburg, Dan

    2011-01-01

    Using the new OpenCL (Open Computing Language) standard, you can write applications that access all available programming resources: CPUs, GPUs, and other processors such as DSPs and the Cell/B.E. processor. Already implemented by Apple, AMD, Intel, IBM, NVIDIA, and other leaders, OpenCL has outstanding potential for PCs, servers, handheld/embedded devices, high performance computing, and even cloud systems. This is the first comprehensive, authoritative, and practical guide to OpenCL 1.1 specifically for working developers and software architects. Written by five leading OpenCL authorities, OpenCL Programming Guide covers the entire specification. It reviews key use cases, shows how OpenCL can express a wide range of parallel algorithms, and offers complete reference material on both the API and OpenCL C programming language. Through complete case studies and downloadable code examples, the authors show how to write complex parallel programs that decompose workloads across many different devices. They...

  17. New characteristics of submicron aerosols and factor analysis of combined organic and inorganic aerosol mass spectra during winter in Beijing

    Science.gov (United States)

    Zhang, J. K.; Ji, D. S.; Liu, Z. R.; Hu, B.; Wang, L. L.; Huang, X. J.; Wang, Y. S.

    2015-07-01

    In recent years, an increasing amount of attention has been paid to heavy haze pollution in Beijing, China. In addition to Beijing's population of approximately 20 million and its 5 million vehicles, nearby cities and provinces are host to hundreds of heavily polluting industries. In this study, a comparison between observations in January 2013 and January 2014 showed that non-refractory PM1 (NR-PM1) pollution was weaker in January 2014, which was primarily caused by variations in meteorological conditions. For the first time, positive matrix factorization (PMF) was applied to the merged high-resolution mass spectra of organic and inorganic aerosols from aerosol mass spectrometer measurements in Beijing, and the sources and evolution of NR-PM1 in January 2014 were investigated. The two factors, NO3-OA1 and NO3-OA2, were primarily composed of ammonium nitrate, and each showed a different degree of oxidation and diurnal variation. The organic fraction of SO4-OA showed the highest degree of oxidation of all PMF factors. The hydrocarbon-like organic aerosol (OA) and cooking OA factors contained negligible amounts of inorganic species. The coal combustion OA factor contained a high contribution from chloride in its mass spectrum. The NR-PM1 composition showed significant variations in January 2014, in which the contribution of nitrate clearly increased during heavy pollution events. The most effective way to control fine particle pollution in Beijing is through joint prevention and control measures at the regional level, rather than a focus on an individual city, especially for severe haze events.

  18. Accelerator mass spectrometry measurements of natural and anthropogenic Cl-36

    International Nuclear Information System (INIS)

    Sharma, P.; Gove, H.E.; Fehn, U.

    1993-01-01

    Radioactive chlorine-36 (half-life = 301,000 years) is produced by cosmic-ray induced spallation reactions in the Earth's atmosphere and in surface rocks and through thermal neutron activation of stable chlorine-35 in the Earth's crust. A large amount of chlorine-36 was introduced into the atmosphere and hydrosphere during nuclear weapon tests in the 1950's and 1960's (the so called open-quotes bomb pulseclose quotes). Additional sources of anthropogenic Cl-36 in the environment are activities associated with the nuclear power cycle. Results of three recent applications of chlorine-36 will be presented and discussed: (1) study of the dynamics of water movement and radioactive contaminants from nuclear fuel reprocessing plants at Savannah River Site, South Carolina and Idaho National Engineering Laboratory, Idaho Falls, Idaho, (2) investigation of potential water movement through the unsaturated zone at Yucca Mountain (a possible site for high level radioactive waste disposal), and (3) deciphering past variations in cosmic radiation using ancient packrat urine from Nevada

  19. Comparison of electron ionization and fast atom bombardment-mass spectrometry for the determination of nickel, vanadyl and free-base porphyrins

    Energy Technology Data Exchange (ETDEWEB)

    Castro, A.J.; Van Berkel, G.J.; Doolittle, F.G.; Filby, R.H. (Washington State Univ., Pullman (USA))

    1989-01-01

    Fast Atom Bombardment-Mass Spectrometry (FAB-MS) and Electron Ionization-Mass Spectrometry (EI-MS) at 12 and 70 eV, were used to obtain mass spectra of mesoporphyrin IX dimethylester (DME), tetraphenylporphyrin (TPP), octaethylporphyrin (OEP), and the metal-loporphyrins, Ni(DME), Ni(TPP), Ni(OEP), VO(TPP), VO(OEP), as well as a VO(II) porphyrin concentrate obtained from the New Albany oil shale bitumen (Mississippian-Devonian). A mixture of dithiothreitol/dithioerythritol (Magic Bullet) was used as the FAB matrix. Greater fragmentation of free-base and metalloporphyrins was observed in FAB mass spectra compared to the EI mass spectra. Adduct ions formed by addition of sulfur and a matrix molecule to the porphyrins were observed. In FAB spectra of the VO(II) complexes, loss of oxygen was noted. The FAB mass spectra of mixtures of VO(II) geoporphyrins are much more complex than corresponding EI mass spectra because of the greater fragmentation and the multiplicity of ions (M{sup +}, M + H, M + 2H, etc.) observed in the FAB mode. Using the matrices investigated, FAB is less suitable for EI for the mass spectrometric analysis of the geoporphyrins.

  20. Predicting ambient aerosol thermal-optical reflectance (TOR) measurements from infrared spectra: organic carbon

    Science.gov (United States)

    Dillner, A. M.; Takahama, S.

    2015-03-01

    Organic carbon (OC) can constitute 50% or more of the mass of atmospheric particulate matter. Typically, organic carbon is measured from a quartz fiber filter that has been exposed to a volume of ambient air and analyzed using thermal methods such as thermal-optical reflectance (TOR). Here, methods are presented that show the feasibility of using Fourier transform infrared (FT-IR) absorbance spectra from polytetrafluoroethylene (PTFE or Teflon) filters to accurately predict TOR OC. This work marks an initial step in proposing a method that can reduce the operating costs of large air quality monitoring networks with an inexpensive, non-destructive analysis technique using routinely collected PTFE filter samples which, in addition to OC concentrations, can concurrently provide information regarding the composition of organic aerosol. This feasibility study suggests that the minimum detection limit and errors (or uncertainty) of FT-IR predictions are on par with TOR OC such that evaluation of long-term trends and epidemiological studies would not be significantly impacted. To develop and test the method, FT-IR absorbance spectra are obtained from 794 samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites collected during 2011. Partial least-squares regression is used to calibrate sample FT-IR absorbance spectra to TOR OC. The FTIR spectra are divided into calibration and test sets by sampling site and date. The calibration produces precise and accurate TOR OC predictions of the test set samples by FT-IR as indicated by high coefficient of variation (R2; 0.96), low bias (0.02 μg m-3, the nominal IMPROVE sample volume is 32.8 m3), low error (0.08 μg m-3) and low normalized error (11%). These performance metrics can be achieved with various degrees of spectral pretreatment (e.g., including or excluding substrate contributions to the absorbances) and are comparable in precision to collocated TOR measurements. FT-IR spectra are also

  1. Mass and charge distributions in chlorine-induced nuclear reactions

    International Nuclear Information System (INIS)

    Marchetti, A.A.

    1991-01-01

    Projectile-like fragments were detected and characterized in terms of A, Z, and energy for the reactions 37 Cl on 40 Ca and 209 Bi at E/A = 7.3 MeV, and 35 Cl, on 209 Bi at E/A = 15 MeV, at angles close to the grazing angle. Mass and charge distributions were generated in the N-Z plane as a function of energy loss, and have been parameterized in terms of their centroids, variances, and coefficients of correlation. Due to experimental problems, the mass resolution corresponding to the 31 Cl on 209 Bi reaction was very poor. This prompted the study and application of a deconvolution technique for peak enhancement. The drifts of the charge and mass centroids for the system 37 Cl on 40 Ca are consistent with a process of mass and charge equilibration mediated by nucleon exchange between the two partners, followed by evaporation. The asymmetric systems show a strong drift towards larger asymmetry, with the production of neutron-rich nuclei. It was concluded that this is indicative of a net transfer of protons from the light to the heavy partner, and a net flow of neutrons in the opposite direction. The variances for all systems increase with energy loss, as it would be expected from a nucleon exchange mechanism; however, the variances for the reaction 37 Cl on 40 Ca are higher than those expected from that mechanism. The coefficients of correlation indicate that the transfer of nucleons between projectile and target is correlated. The results were compared to the predictions of two current models based on a stochastic nucleon exchange mechanism. In general, the comparisons between experimental and predicted variances support this mechanism; however, the need for more realistic driving forces in the model calculations is indicated by the disagreement between predicted and experimental centroids

  2. Facile synthesis of hollow Co3O4 microspheres and its use as a rapid responsive CL sensor of combustible gases.

    Science.gov (United States)

    Teng, Fei; Yao, Wenqing; Zheng, Youfei; Ma, Yutao; Xu, Tongguang; Gao, Guizhi; Liang, Shuhui; Teng, Yang; Zhu, Yongfa

    2008-09-15

    The hollow Co(3)O(4) microspheres (HCMs) were prepared by the carbonaceous templates, which did not need the surface pretreatment. The chemiluminescence (CL) and catalytic properties for CO oxidation over these hollow samples were evaluated. The samples were characterized by scanning electron microscopy (SEM), energy disperse spectra (EDS), transmission electron microscopy (TEM), selected area electron diffraction (ED), X-ray diffraction (XRD), temperature-programmed desorption (TPD) and N(2) adsorption. The influences of filter' band length, flow rate of gas, test temperature, and particle structure on CL intensities were mainly investigated. It was found that compared with the solid Co(3)O(4) particles (SCPs), HCMs had a stronger CL intensity, which was ascribed to its hollow structure; and that CL properties of the catalysts were well correlated with their reaction activities. Moreover, HCMs were used to fabricate a highly sensitive gas detector, which is a rapid and effective method for the selection of catalysts or the detection of environmental deleterious gases.

  3. Search for narrow resonances and quantum black holes in inclusive and b-tagged dijet mass spectra from pp collisions at $ \\sqrt{s}=7 $ TeV

    Energy Technology Data Exchange (ETDEWEB)

    Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Aguilo, E.; Bergauer, T.; Dragicevic, M.; Erö, J.; Fabjan, C.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Knünz, V.; Krammer, M.; Krätschmer, I.; Liko, D.; Mikulec, I.; Pernicka, M.; Rabady, D.; Rahbaran, B.; Rohringer, C.; Rohringer, H.; Schöfbeck, R.; Strauss, J.; Taurok, A.; Waltenberger, W.; Wulz, C. -E.; Mossolov, V.; Shumeiko, N.; Gonzalez, J. Suarez; Alderweireldt, S.; Bansal, M.; Bansal, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Luyckx, S.; Mucibello, L.; Ochesanu, S.; Roland, B.; Rougny, R.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Blekman, F.; Blyweert, S.; D’Hondt, J.; Suarez, R. Gonzalez; Kalogeropoulos, A.; Maes, M.; Olbrechts, A.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Villella, I.; Clerbaux, B.; De Lentdecker, G.; Dero, V.; Gay, A. P. R.; Hreus, T.; Léonard, A.; Marage, P. E.; Mohammadi, A.; Reis, T.; Thomas, L.; Velde, C. Vander; Vanlaer, P.; Wang, J.; Adler, V.; Beernaert, K.; Cimmino, A.; Costantini, S.; Garcia, G.; Grunewald, M.; Klein, B.; Lellouch, J.; Marinov, A.; Mccartin, J.; Rios, A. A. Ocampo; Ryckbosch, D.; Sigamani, M.; Strobbe, N.; Thyssen, F.; Tytgat, M.; Walsh, S.; Yazgan, E.; Zaganidis, N.; Basegmez, S.; Bruno, G.; Castello, R.; Ceard, L.; Delaere, C.; du Pree, T.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Lemaitre, V.; Liao, J.; Militaru, O.; Nuttens, C.; Pagano, D.; Pin, A.; Piotrzkowski, K.; Selvaggi, M.; Garcia, J. M. Vizan; Beliy, N.; Caebergs, T.; Daubie, E.; Hammad, G. H.; Alves, G. A.; Correa Martins, M.; Martins, T.; Pol, M. E.; Souza, M. H. G.; Júnior, W. L. Aldá; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; De Souza, S. Fonseca; Malbouisson, H.; Malek, M.; Figueiredo, D. Matos; Mundim, L.; Nogima, H.; Da Silva, W. L. Prado; Santoro, A.; Jorge, L. Soares; Sznajder, A.; Manganote, E. J. Tonelli; Pereira, A. Vilela; Anjos, T. S.; Bernardes, C. A.; Dias, F. A.; Tomei, T. R. Fernandez Perez; Gregores, E. M.; Lagana, C.; Marinho, F.; Mercadante, P. G.; Novaes, S. F.; Padula, Sandra S.; Genchev, V.; Iaydjiev, P.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Tcholakov, V.; Trayanov, R.; Vutova, M.; Dimitrov, A.; Hadjiiska, R.; Kozhuharov, V.; Litov, L.; Pavlov, B.; Petkov, P.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Jiang, C. H.; Liang, D.; Liang, S.; Meng, X.; Tao, J.; Wang, J.; Wang, X.; Wang, Z.; Xiao, H.; Xu, M.; Zang, J.; Zhang, Z.; Asawatangtrakuldee, C.; Ban, Y.; Guo, Y.; Li, W.; Liu, S.; Mao, Y.; Qian, S. J.; Teng, H.; Wang, D.; Zhang, L.; Zou, W.; Avila, C.; Montoya, C. A. Carrillo; Gomez, J. P.; Moreno, B. Gomez; Oliveros, A. F. Osorio; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Plestina, R.; Polic, D.; Puljak, I.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Duric, S.; Kadija, K.; Luetic, J.; Mekterovic, D.; Morovic, S.; Tikvica, L.; Attikis, A.; Galanti, M.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Finger, M.; Finger, M.; Assran, Y.; Elgammal, S.; Kamel, A. Ellithi; Awad, A. M. Kuotb; Mahmoud, M. A.; Radi, A.; Kadastik, M.; Müntel, M.; Murumaa, M.; Raidal, M.; Rebane, L.; Tiko, A.; Eerola, P.; Fedi, G.; Voutilainen, M.; Härkönen, J.; Heikkinen, A.; Karimäki, V.; Kinnunen, R.; Kortelainen, M. J.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Mäenpää, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Ungaro, D.; Wendland, L.; Korpela, A.; Tuuva, T.; Besancon, M.; Choudhury, S.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; de Monchenault, G. Hamel; Jarry, P.; Locci, E.; Malcles, J.; Millischer, L.; Nayak, A.; Rander, J.; Rosowsky, A.; Titov, M.; Baffioni, S.; Beaudette, F.; Benhabib, L.; Bianchini, L.; Bluj, M.; Busson, P.; Charlot, C.; Daci, N.; Dahms, T.; Dalchenko, M.; Dobrzynski, L.; Florent, A.; de Cassagnac, R. Granier; Haguenauer, M.; Miné, P.; Mironov, C.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Paganini, P.; Sabes, D.; Salerno, R.; Sirois, Y.; Veelken, C.; Zabi, A.; Agram, J. -L.; Andrea, J.; Bloch, D.; Bodin, D.; Brom, J. -M.; Cardaci, M.; Chabert, E. C.; Collard, C.; Conte, E.; Drouhin, F.; Fontaine, J. -C.; Gelé, D.; Goerlach, U.; Juillot, P.; Le Bihan, A. -C.; Van Hove, P.; Beauceron, S.; Beaupere, N.; Bondu, O.; Boudoul, G.; Brochet, S.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Sgandurra, L.; Sordini, V.; Tschudi, Y.; Verdier, P.; Viret, S.; Tsamalaidze, Z.; Autermann, C.; Beranek, S.; Calpas, B.; Edelhoff, M.; Feld, L.; Heracleous, N.; Hindrichs, O.; Jussen, R.; Klein, K.; Merz, J.; Ostapchuk, A.; Perieanu, A.; Raupach, F.; Sammet, J.; Schael, S.; Sprenger, D.; Weber, H.; Wittmer, B.; Zhukov, V.; Ata, M.; Caudron, J.; Dietz-Laursonn, E.; Duchardt, D.; Erdmann, M.; Fischer, R.; Güth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Olschewski, M.; Padeken, K.; Papacz, P.; Pieta, H.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Steggemann, J.; Teyssier, D.; Thüer, S.; Weber, M.; Bontenackels, M.; Cherepanov, V.; Erdogan, Y.; Flügge, G.; Geenen, H.; Geisler, M.; Ahmad, W. Haj; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Lingemann, J.; Nowack, A.; Nugent, I. M.; Perchalla, L.; Pooth, O.; Sauerland, P.; Stahl, A.; Martin, M. Aldaya; Asin, I.; Bartosik, N.; Behr, J.; Behrenhoff, W.; Behrens, U.; Bergholz, M.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Castro, E.; Costanza, F.; Dammann, D.; Pardos, C. Diez; Dorland, T.; Eckerlin, G.; Eckstein, D.; Flucke, G.; Geiser, A.; Glushkov, I.; Gunnellini, P.; Habib, S.; Hauk, J.; Hellwig, G.; Jung, H.; Kasemann, M.; Katsas, P.; Kleinwort, C.; Kluge, H.; Knutsson, A.; Krämer, M.; Krücker, D.; Kuznetsova, E.; Lange, W.; Leonard, J.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Marienfeld, M.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Novgorodova, O.; Nowak, F.; Olzem, J.; Perrey, H.; Petrukhin, A.; Pitzl, D.; Raspereza, A.; Cipriano, P. M. Ribeiro; Riedl, C.; Ron, E.; Rosin, M.; Salfeld-Nebgen, J.; Schmidt, R.; Schoerner-Sadenius, T.; Sen, N.; Spiridonov, A.; Stein, M.; Walsh, R.; Wissing, C.; Blobel, V.; Enderle, H.; Erfle, J.; Gebbert, U.; Görner, M.; Gosselink, M.; Haller, J.; Hermanns, T.; Höing, R. S.; Kaschube, K.; Kaussen, G.; Kirschenmann, H.; Klanner, R.; Lange, J.; Peiffer, T.; Pietsch, N.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Schröder, M.; Schum, T.; Seidel, M.; Sibille, J.; Sola, V.; Stadie, H.; Steinbrück, G.; Thomsen, J.; Vanelderen, L.; Barth, C.; Baus, C.; Berger, J.; Böser, C.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Guthoff, M.; Hackstein, C.; Hartmann, F.; Hauth, T.; Heinrich, M.; Held, H.; Hoffmann, K. H.; Husemann, U.; Katkov, I.; Komaragiri, J. R.; Pardo, P. Lobelle; Martschei, D.; Mueller, S.; Müller, Th.; Niegel, M.; Nürnberg, A.; Oberst, O.; Oehler, A.; Ott, J.; Quast, G.; Rabbertz, K.; Ratnikov, F.; Ratnikova, N.; Röcker, S.; Schilling, F. -P.; Schott, G.; Simonis, H. J.; Stober, F. M.; Troendle, D.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Zeise, M.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Kesisoglou, S.; Kyriakis, A.; Loukas, D.; Manolakos, I.; Markou, A.; Markou, C.; Ntomari, E.; Gouskos, L.; Mertzimekis, T. J.; Panagiotou, A.; Saoulidou, N.; Evangelou, I.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Molnar, J.; Palinkas, J.; Szillasi, Z.; Karancsi, J.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Beri, S. B.; Bhatnagar, V.; Dhingra, N.; Gupta, R.; Kaur, M.; Mehta, M. Z.; Mittal, M.; Nishu, N.; Saini, L. K.; Sharma, A.; Singh, J. B.; Kumar, Ashok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Saxena, P.; Sharma, V.; Shivpuri, R. K.; Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dutta, S.; Gomber, B.; Jain, Sa.; Jain, Sh.; Khurana, R.; Modak, A.; Mukherjee, S.; Roy, D.; Sarkar, S.; Sharan, M.; Abdulsalam, A.; Dutta, D.; Kailas, S.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Aziz, T.; Chatterjee, R. M.; Ganguly, S.; Guchait, M.; Gurtu, A.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.; Banerjee, S.; Dugad, S.; Arfaei, H.; Bakhshiansohi, H.; Etesami, S. M.; Fahim, A.; Hashemi, M.; Hesari, H.; Jafari, A.; Khakzad, M.; Najafabadi, M. Mohammadi; Mehdiabadi, S. Paktinat; Safarzadeh, B.; Zeinali, M.; Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Marangelli, B.; My, S.; Nuzzo, S.; Pacifico, N.; Pompili, A.; Pugliese, G.; Selvaggi, G.; Silvestris, L.; Singh, G.; Venditti, R.; Verwilligen, P.; Zito, G.; Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, F.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.; Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.; Barbagli, G.; Ciulli, V.; Civinini, C.; D’Alessandro, R.; Focardi, E.; Frosali, S.; Gallo, E.; Gonzi, S.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.; Benussi, L.; Bianco, S.; Colafranceschi, S.; Fabbri, F.; Piccolo, D.; Fabbricatore, P.; Musenich, R.; Tosi, S.; Benaglia, A.; De Guio, F.; Di Matteo, L.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Lucchini, M. T.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; de Fatis, T. Tabarelli; Buontempo, S.; Cavallo, N.; De Cosa, A.; Dogangun, O.; Fabozzi, F.; Iorio, A. O. 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P.; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Tinti, G.; Wood, J. S.; Barfuss, A. F.; Bolton, T.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Shrestha, S.; Svintradze, I.; Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.; Baden, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kirn, M.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Peterman, A.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.; Apyan, A.; Bauer, G.; Bendavid, J.; Busza, W.; Butz, E.; Cali, I. A.; Chan, M.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Kim, Y.; Klute, M.; Krajczar, K.; Levin, A.; Luckey, P. D.; Ma, T.; Nahn, S.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Rudolph, M.; Stephans, G. S. F.; Stöckli, F.; Sumorok, K.; Sung, K.; Velicanu, D.; Wenger, E. A.; Wolf, R.; Wyslouch, B.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.; Zhukova, V.; Dahmes, B.; De Benedetti, A.; Franzoni, G.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Sasseville, M.; Singovsky, A.; Tambe, N.; Turkewitz, J.; Cremaldi, L. M.; Kroeger, R.; Perera, L.; Rahmat, R.; Sanders, D. A.; Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Eads, M.; Keller, J.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Snow, G. R.; Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Wan, Z.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Nash, D.; Orimoto, T.; Trocino, D.; Wood, D.; Zhang, J.; Anastassov, A.; Hahn, K. A.; Kubik, A.; Lusito, L.; Mucia, N.; Odell, N.; Ofierzynski, R. A.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Velasco, M.; Won, S.; Berry, D.; Brinkerhoff, A.; Chan, K. M.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kolb, J.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Planer, M.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Wolf, M.; Antonelli, L.; Bylsma, B.; Durkin, L. S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Smith, G.; Vuosalo, C.; Williams, G.; Winer, B. L.; Berry, E.; Elmer, P.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Koay, S. A.; Pegna, D. Lopes; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroué, P.; Quan, X.; Raval, A.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zenz, S. C.; Zuranski, A.; Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez; Alagoz, E.; Barnes, V. E.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Koybasi, O.; Kress, M.; Laasanen, A. T.; Leonardo, N.; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Marono, M. Vidal; Yoo, H. D.; Zablocki, J.; Zheng, Y.; Guragain, S.; Parashar, N.; Adair, A.; Akgun, B.; Boulahouache, C.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.; Betchart, B.; Bodek, A.; Chung, Y. S.; Covarelli, R.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Miner, D. C.; Vishnevskiy, D.; Zielinski, M.; Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.; Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Rekovic, V.; Robles, J.; Rose, K.; Salur, S.; Schnetzer, S.; Seitz, C.; Somalwar, S.; Stone, R.; Thomas, S.; Walker, M.; Cerizza, G.; Hollingsworth, M.; Spanier, S.; Yang, Z. C.; York, A.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Safonov, A.; Sakuma, T.; Sengupta, S.; Suarez, I.; Tatarinov, A.; Toback, D.; Akchurin, N.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Jeong, C.; Kovitanggoon, K.; Lee, S. W.; Libeiro, T.; Volobouev, I.; Appelt, E.; Delannoy, A. G.; Florez, C.; Greene, S.; Gurrola, A.; Johns, W.; Kurt, P.; Maguire, C.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.; Arenton, M. W.; Balazs, M.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Lin, C.; Neu, C.; Wood, J.; Gollapinni, S.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.; Sakharov, A.; Anderson, M.; Belknap, D. A.; Borrello, L.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Friis, E.; Gray, L.; Grogg, K. S.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Hervé, A.; Klabbers, P.; Klukas, J.; Lanaro, A.; Lazaridis, C.; Loveless, R.; Mohapatra, A.; Mozer, M. U.; Ojalvo, I.; Palmonari, F.; Pierro, G. A.; Ross, I.; Savin, A.; Smith, W. H.; Swanson, J.

    2013-01-01

    A search for narrow resonances and quantum black holes is performed in inclusive and b-tagged dijet mass spectra measured with the CMS detector at the LHC. The data set corresponds to 5 inverse femtobarns of integrated luminosity collected in pp collisions at sqrt(s) = 7 TeV. No narrow resonances or quantum black holes are observed. Model-independent upper limits at the 95% confidence level are obtained on the product of the cross section, branching fraction into dijets, and acceptance for three scenarios: decay into quark-quark, quark-gluon, and gluon-gluon pairs. Specific lower limits are set on the mass of string resonances (4.31 TeV), excited quarks (3.32 TeV), axigluons and colorons (3.36 TeV), scalar color-octet resonances (2.07 TeV), E(6) diquarks (3.75 TeV), and on the masses of W' (1.92 TeV) and Z' (1.47 TeV) bosons. The limits on the minimum mass of quantum black holes range from 4 to 5.3 TeV. In addition, b-quark tagging is applied to the two leading jets and upper limits are set on the production of narrow dijet resonances in a model-independent fashion as a function of the branching fraction to b-jet pairs.

  4. Cosmology and the neutrino mass ordering

    DEFF Research Database (Denmark)

    Hannestad, Steen; Schwetz, Thomas

    2016-01-01

    We propose a simple method to quantify a possible exclusion of the inverted neutrino mass ordering from cosmological bounds on the sum of the neutrino masses. The method is based on Bayesian inference and allows for a calculation of the posterior odds of normal versus inverted ordering. We apply...... the method for a specific set of current data from Planck CMB data and large-scale structure surveys, providing an upper bound on the sum of neutrino masses of 0.14 eV at 95% CL. With this analysis we obtain posterior odds for normal versus inverted ordering of about 2:1. If cosmological data is combined...... with data from oscillation experiments the odds reduce to about 3:2. For an exclusion of the inverted ordering from cosmology at more than 95% CL, an accuracy of better than 0.02 eV is needed for the sum. We demonstrate that such a value could be reached with planned observations of large scale structure...

  5. Influence of NaCl salinity on growth analysis of strawberry cv. Camarosa

    Directory of Open Access Journals (Sweden)

    H. Mirdehghan

    2011-12-01

    Full Text Available In order to study of salinity effect on growth analysis of strawberry, a greenhouse experiment was conducted in Vali-e-Asr University of Rafsanjan in 2010. This study was carried out RCBD design with 4 replications to determine the influence of salinity (30, 60, 90 Mmol and control with distilled water on strawberry growth analysis. Results indicated that relative growth rate (RGR, crop growth rate (CGR, leaf area ratio (LAR and dry matter accumulation were decreased with increasing salinity. The lowest RGR, CGR and LAR were observed in 90 Mmol NaCl salinity. Results also indicated that maximum dry matter accumulations were observed in 1050, 1200 and 1400 degree days in 30, 60 and 90 Mmol NaCl salinity, respectively. Water salinity more than 30 Mmol NaCl L-1 will decreased fresh fruit yield more than 50 percent in hydroponics strawberry production. Dry mass partitioning in NaCl-stressed plants was in favor of crown and petioles and at expense of root, stem and leaf whereas leaf, stem and root DM progressively declined with an increase in salinity.

  6. Development and testing of a double-focusing, static, axisymmetric mass spectrometer

    International Nuclear Information System (INIS)

    Ritter, G.

    1979-04-01

    The developed mass spectrometer affords very high acceptance (cm 2 sr) compared with conventional mass spectrometers owing to its large solid angle of 0.178 sr. The ion optical properties of the instrument were tested by bombarding various targets (Al, Ni, Ti, Cu, Si) with potassium or caesium ions from a thermionic ion source with energies of 1, 2 and 3 keV and recording mass spectra of positive and negative sputtered ions. The ion optical beam path was calculated analytically (magnet system) in part and numerically in part (energy analyzer, einzel lenses and detector system) and represented in graph form. The results obtained from the mass spectra showed that the magnet system with its twelve permanent magnets is too irregular to produce mass linses with good resolution. Furthermore, it was found that the maximum primary energy of the alkali ions that was possible in this mass spectrometer owing to the breakdown strength was not sufficient to record surface-specific mass spectra since the target surface was covered within a very short time with an at least monatomic layer of alkali ions from the thermionic ion source. (orig./HP) [de

  7. Synthesis and identification of substituted Mg-Al-Cl double hydroxide compounds with a focus on infrared spectroscopy; Synthese und Identifizierung von substituierten Mg-Al-Cl Doppelhydroxidverbindungen mit Schwerpunkt IR-Spektroskopie

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Birte

    2011-07-01

    positions in the infrared spectra of these LDHs compared to an unmodified Mg-Al-CO{sub 3} LDH. Fitting was undertaken to determine the exact positions of the single bands in the spectra. Conspicuous shifts in the band positions were cognizable. The best correlation of these shifts was found with the electronegativity of the incorporated cations. It could be revealed, that not only this parameter is responsible for the shifts in the band positions, but that other factors (e.g. mass, ionic radius) have an influence. It could not differentiated between the solid solution-LDH-compounds which contained homogeneous cations such as Eu{sup 3+} and Sm{sup 3+}, but clearly between LDH-types with not homogeneous cations such as Cr{sup 3+} and Eu{sup 3+}. The demonstration of the incorporation of a cation into the structure of a Mg-Al LDH by infrared spectroscopy is therefore generally possible. (orig.)

  8. reSpect: Software for Identification of High and Low Abundance Ion Species in Chimeric Tandem Mass Spectra

    Science.gov (United States)

    Shteynberg, David; Mendoza, Luis; Hoopmann, Michael R.; Sun, Zhi; Schmidt, Frank; Deutsch, Eric W.; Moritz, Robert L.

    2015-11-01

    Most shotgun proteomics data analysis workflows are based on the assumption that each fragment ion spectrum is explained by a single species of peptide ion isolated by the mass spectrometer; however, in reality mass spectrometers often isolate more than one peptide ion within the window of isolation that contribute to additional peptide fragment peaks in many spectra. We present a new tool called reSpect, implemented in the Trans-Proteomic Pipeline (TPP), which enables an iterative workflow whereby fragment ion peaks explained by a peptide ion identified in one round of sequence searching or spectral library search are attenuated based on the confidence of the identification, and then the altered spectrum is subjected to further rounds of searching. The reSpect tool is not implemented as a search engine, but rather as a post-search engine processing step where only fragment ion intensities are altered. This enables the application of any search engine combination in the iterations that follow. Thus, reSpect is compatible with all other protein sequence database search engines as well as peptide spectral library search engines that are supported by the TPP. We show that while some datasets are highly amenable to chimeric spectrum identification and lead to additional peptide identification boosts of over 30% with as many as four different peptide ions identified per spectrum, datasets with narrow precursor ion selection only benefit from such processing at the level of a few percent. We demonstrate a technique that facilitates the determination of the degree to which a dataset would benefit from chimeric spectrum analysis. The reSpect tool is free and open source, provided within the TPP and available at the TPP website.

  9. Density of molten salt Mixtures of eutectic LiCl-KCl containing UCl{sub 3}, CeCl{sub 3}, or LaCl{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, C.; Simpson, M. F. [Dept. of Metallurgical Engineering, University of Utah, Salt Lake City (United States)

    2017-06-15

    Densities of molten salt mixtures of eutectic LiCl-KCl with UCl{sub 3}, CeCl{sub 3}, or LaCl{sub 3} at various concentrations (up to 13 wt%) were measured using a liquid surface displacement probe. Linear relationships between the mixture density and the concentration of the added salt were observed. For LaCl{sub 3} and CeCl{sub 3}, the measured densities were signifcantly higher than those previously reported from Archimedes’ method. In the case of LiCl-KCl-UCl{sub 3}, the data ft the ideal mixture density model very well. For the other salts, the measured densities exceeded the ideal model prediction by about 2%.

  10. The Utilization of Low Frequency Raman Spectra of Gases for the Study of Molecules with Large Amplitude Vibration

    Institute of Scientific and Technical Information of China (English)

    James R. Durig; Sarah Xiao-hua Zhou; Joshua Klaassen; Arindam Ganguly

    2009-01-01

    The utilization of the Raman spectra of the low frequency bending mode for three quasi-linear molecules, disiloxane, (SiH3)2 O; methylisocyanate, CH3NCO; and dimethy lisocyanate, (CH3)2SiHNCO for observing the low frequency anharmonic bending vibration is demonstrated which is superior to the corresponding far infrared spectra. From the observed frequencies from the Raman spectra the potential function governing the heavy atom motion to linearity has been obtained from which the barrier has been determined. These experimental values are compared to the ab ini-tio predicted values. Also low frequency Raman spectra of the ring puckering vibration of chlorocy-clobutane, c-C4H7Cl, bromocyclobutane, c-C4H7Br, and aminocyclobutane, c-C4H7NH2, have been utilized to obtain the potential function governing the ring inversion for these molecules. The deter-mined barriers to planarity are compared to those obtained from MP2 (full) ab initio and density functional theory B3LYP calculations by utilizing a variety of basis sets. For all of these studies it is shown that the Raman spectra are superior to the infrared spectra for determining the frequencies of the excited state transitions.

  11. Direct search for neutrino mass and anomaly in the tritium beta-spectrum: Status of 'Troitsk neutrino mass' experiment

    International Nuclear Information System (INIS)

    Lobashev, V.M.; Aseev, V.N.; Belesev, A.I.; Berlev, A.I.; Geraskin, E.V.; Golubev, A.A.; Kazachenko, O.V.; Kuznetsov, Yu.E.; Ostroumov, R.P.; Rivkis, L.A.; Stern, B.E.; Titov, N.A.; Zadoroghny, C.V.; Zakharov, Yu.I.

    2000-01-01

    Results of the 'Troitsk ν-mass' experiment on search for the neutrino rest mass in the tritium beta-decay are presented. New data on the time dependence of the anomalous, bump-like structure at the end of the beta spectrum reported earlier are discussed. Possible systematics is considered in view of contradiction of 'Troitsk nu-mass' observation with those of 'Mainz neutrino' set-up. An upper limit for electron antineutrino rest mass remains at m ν 2 at 95% C.L

  12. Electrodeposition of Al-Ta alloys in NaCl-KCl-AlCl{sub 3} molten salt containing TaCl{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Kazuki; Matsushima, Hisayoshi; Ueda, Mikito, E-mail: mikito@eng.hokudai.ac.jp

    2016-12-01

    Highlights: • Electrodeposition of Al-Ta alloys in an AlCl{sub 3}-NaCl-KCl-TaCl{sub 5} melt was carried out. • We were obtained 72 at% Ta-Al alloy at 0.3 V. • Amorphous Ta-Al was formed in high Ta concentration. - Abstract: To form Al-Ta alloys for high temperature oxidation resistance components, molten salt electrolysis was carried out in an AlCl{sub 3}-NaCl-KCl melt containing TaCl{sub 5} at 423 K. The voltammogram showed two cathodic waves at 0.45 V and 0.7 V vs. Al/Al(III), which may correspond to reduction from Ta(V) to Ta(III) and from Ta(III) to tantalum metal, respectively. Electrodeposits of Al and Ta were obtained in the range from −0.05 to 0.3 V and the highest concentration of Ta in the electrodeposit was 72 at% at 0.3 V. With increasing Ta content in the alloy, the morphology of the electrodeposits became powdery and the particle size smaller.

  13. Charged particle scintillation mass spectrometer

    International Nuclear Information System (INIS)

    Baranov, P.S.; Zhuravlev, E.E.; Nafikov, A.A.; Osadchi , A.I.; Raevskij, V.G.; Smirnov, P.A.; Cherepnya, S.N.; Yanulis, Yu.P.

    1982-01-01

    A scintillation mass-spectrometer for charged particle identification by the measured values of time-of-flight and energy operating on line with the D-116 computer is described. Original time detectors with 100x100x2 mm 3 and 200x2 mm 2 scintillators located on the 1- or 2 m path length are used in the spectrometer. The 200x200x200 mm 3 scintillation unit is used as a E-counter. Time-of-flight spectra of the detected particles on the 2 m path length obtained in spectrometer test in the beam of charged particles escaping from the carbon target at the angle of 130 deg under 1.2 GeV bremsstrahlung beam of the ''Pakhra'' PIAS synchrotron are presented. Proton and deuteron energy spectra as well as mass spectrum of all the particles detected by the spectrometer are given. Mass resolution obtained on the 2 m path length for π-mesons is +-25%, for protons is +-5%, for deuterons is +-3%

  14. Comparison of detector systems for the separation of {sup 36}Cl and {sup 36}S with a 3-MV tandem

    Energy Technology Data Exchange (ETDEWEB)

    Orlowski, Tobias, E-mail: a0447924@unet.univie.ac.a [VERA Laboratory, Fakultaet fuer Physik, Universitaet Wien, Waehringer Str. 17, Wien 1090 (Austria); Forstner, Oliver; Golser, Robin; Kutschera, Walter [VERA Laboratory, Fakultaet fuer Physik, Universitaet Wien, Waehringer Str. 17, Wien 1090 (Austria); Merchel, Silke [CEREGE, CNRS-IRD-Universite Aix-Marseille, Europole Mediterraneen de L' Arbois, BP 80, Aix-en-Provence 13545 (France); Forschungszentrum Dresden-Rossendorf, D-01314 Dresden (Germany); Martschini, Martin; Priller, Alfred; Steier, Peter [VERA Laboratory, Fakultaet fuer Physik, Universitaet Wien, Waehringer Str. 17, Wien 1090 (Austria); Vockenhuber, Christof [HPK H 31, Institut fuer Teilchenphysik, ETH Zuerich, Schafmattstr. 20 CH-8093 Zuerich (Switzerland); Wallner, Anton [VERA Laboratory, Fakultaet fuer Physik, Universitaet Wien, Waehringer Str. 17, Wien 1090 (Austria)

    2010-04-15

    The possibility of detecting {sup 36}Cl for geological exposure dating has been explored for several years at VERA (the Vienna Environmental Research Accelerator). First results on real samples were obtained with an ionization chamber (developed at the ETH/PSI, Zuerich, Switzerland) with two anodes. To improve the suppression of {sup 36}S, we equipped the ionization chamber with an exit window and added a Time-of-Flight (TOF) system with a double-sided silicon strip detector (50 x 50 mm{sup 2}) as stop detector. We optimized the TOF setup by using silicon nitride foils to reduce scattering tails in the energy spectra. At 3 MV terminal voltage, corresponding to a particle energy of 24 MeV of {sup 36}Cl{sup 7+}, we achieved a {sup 36}S{sup 7+}-suppression of 21,500 (50% {sup 36}Cl-detector-efficiency).

  15. Moduli stabilization and the pattern of sparticle spectra

    International Nuclear Information System (INIS)

    Choi, Kiwoon

    2008-01-01

    We discuss the pattern of low energy sparticle spectra which appears in some class of moduli stabilization scenario. In case that light moduli are stabilized by non-perturbative effects encoded in the superpotential and a phenomenologically viable de Sitter vacuum is obtained by a sequestered supersymmetry breaking sector, the anomaly-mediated soft terms become comparable to the moduli-mediated ones, leading to a quite distinctive pattern of low energy spacticle masses dubbed the mirage mediation pattern. We also discuss low energy sparticle masses in more general mixed-mediation scenario which includes a comparable size of gauge mediation in addition to the moduli and anomaly mediations.

  16. Effects of Aluminum Powder on Ignition Performance of RDX, HMX, and CL-20 Explosives

    Directory of Open Access Journals (Sweden)

    Xiaoxiang Mao

    2018-01-01

    Full Text Available As a kind of high explosives, aluminized explosive cannot release the energy maximumly, which is a key problem. Using DTA-TG equipment, the ignition performance of three kinds of aluminized explosives (RDX, HMX, and CL-20 with different mass percentages of aluminum powder (0%, 10 wt.%, 20 wt.%, and 30 wt.% was investigated. The results showed that the energy release of the HMX/Al composite explosive with 10 wt.%, 20 wt.%, and 30 wt.% aluminum powder was only equivalent to 80%, 65%, and 36% of pure HMX, respectively. It was similar to RDX/Al and CL-20/Al composite explosives, except the CL-20/Al mixture with 10% aluminum powder. Rather than participating in the ignition and combustion, the aluminum powder does effect the complete reaction of RDX, HMX, and CL-20 in the initial stage of ignition or in the lower temperature area of the boundary.

  17. Investigations on the direct introduction of cigarette smoke for trace elements analysis by inductively coupled plasma mass spectrometry

    International Nuclear Information System (INIS)

    Chang, Michael J.; Naworal, John D.; Walker, Kathleen; Connell, Chris T.

    2003-01-01

    Direct introduction of mainstream cigarette smoke into an inductively coupled plasma mass spectrometry (ICP-MS) has been investigated with respect to its feasibility for on-line analysis of trace elements. An automated apparatus was designed and built interfacing a smoking machine with an ICP-MS for smoke generation, collection, injection and analysis. Major and minor elements present in the particulate phase and the gas phase of mainstream cigarette smoke of 2R4F reference cigarettes have been qualitatively identified by examination of their full mass spectra. This method provides a rapid-screening analysis of the transfer of trace elements into mainstream smoke during cigarette combustion. A full suite of elements present in the whole cigarette smoke has been identified, including As, B, Ba, Br, Cd, Cl, Cs, Cu, Hg, I, K, Li, Mn, Na, Pb, Rb, Sb, Sn, Tl and Zn. Of these elements, the major portions of B, Ba, Cs, Cu, K, Li, Mn, Na, Pb, Rb, Sn, Tl and Zn are present in the particulate phase, whereas the major portion of Hg is present in the gas phase. As, Br, Cd, Cl, I and Sb exist in a distribution between the gas phase and the particulate phase. Depending on the element, the precision of measurement ranges from 5 to 25% in terms of relative standard deviation of peak height and peak area, based on the fourth puff of 2R4F mainstream cigarette smoke analyzed in five smoking replicates

  18. The collectins CL-L1, CL-K1 and CL-P1, and their roles in complement and innate immunity

    DEFF Research Database (Denmark)

    Hansen, Soren W K; Ohtani, Katsuki; Roy, Nitai

    2016-01-01

    as CL-LK) and its activation of the lectin pathway via MASPs, drew new attention in the complement biology, which was further strengthened by the observed interactions between CL-P1 and CRP-C1q-factor H or properdin. Deficiency of either CL-K1 or MASP-3 has been demonstrated in 3MC syndrome patients...

  19. NbCl 5 and CrCl 3 catalysts effect on synthesis and hydrogen ...

    Indian Academy of Sciences (India)

    Two kinds of novel materials, Mg–1.6 mol% Ni–0.4 mol% NiO–2 mol% MCl (MCl = NbCl5, CrCl3), along with Mg–1.6 mol% Ni–0.4 mol% NiO for comparison, were examined for their potential use in hydrogen storage applications, having been fabricated via cryomilling. The effects of NbCl5 and CrCl3 on hydrogen storage ...

  20. Single inclusive spectra, Hanburg–Brown–Twiss and elliptic flow: A ...

    Indian Academy of Sciences (India)

    The constraints due to the measurements of the single particle inclusive spectra, the ... flow and HBT vs. the reaction plane with a hydro-motivated blast wave model. .... different mass particles allows the extraction of the elliptic component of the transverse ... Moreover, the details of the dependence of elliptic flow on particle.

  1. A high quality and quantity hybrid perovskite quantum dots (CsPbX3, X= Cl, Br and I) powders synthesis via ionic displacement

    Science.gov (United States)

    Yin, Yuhang; Luan, Weiling; Zhang, Chengxi; Yang, Fuqian

    2017-12-01

    Recently, all-inorganic perovskites CsPbX3 (X= Cl, Br and I) quantum dots (QDs) have drawn great attentions because of their PL spectra tunable over the whole visible spectral region (400-700 nm) and adjustable bandgap, which revealed a promising potential on the field of photoelectronic devices, such as solar cells, LEDs and sensors. In this paper, CsPbX3 QDs and hybrid QDs, CsPbClxBr3-x and CsPbBrxI3-x were synthesized via one-step and two-step methods comparably. The optical bandgaps of CsPbCl3, CsPbBr3, and CsPbI3, were calculated as 3.08, 2.36, and 1.73eV, respectively, based on the Tauc’s equation and UV absorption spectra. Ionic displacement and phase transformation occurred during the mixing process were found based on the monitoring of PL spectra and HRTEM characterization. The long-term stability, dried, high quality and two-dimensional hybrid CsPbBrxI3-x QDs powders could be achieved via the two-step method. Polar solution inductions were used to wash and purify the CsPbX3 QDs, which help obtain of various compositions and well crystallize all-inorganic perovskites QDs powders.

  2. Identifying the neutrino mass spectrum from a supernova neutrino burst

    International Nuclear Information System (INIS)

    Dighe, A.S.; Smirnov, A.Yu.

    1999-12-01

    We study the role that the future detection of the neutrino burst from a galactic supernova can play in the reconstruction of the neutrino mass spectrum. We consider all possible 3ν mass and flavor spectra which describe the solar and atmospheric neutrino data. For each of these spectra we find the observable effects of the supernova neutrino conversions both in the matter of the star and the earth. We show that studies of the electron neutrino and antineutrino spectra as well as observations of the neutral current effects from supernova will allow us (i) to identify the solar neutrino solution, (ii) to determine the type of mass hierarchy (normal or inverted) and (iii) to probe the mixing vertical bar U e3 vertical bar 2 to values as low as 10 -4 - 10 -3 . (author)

  3. Application of phase correction to improve the interpretation of crude oil spectra obtained using 7 T Fourier transform ion cyclotron resonance mass spectrometry.

    Science.gov (United States)

    Cho, Yunju; Qi, Yulin; O'Connor, Peter B; Barrow, Mark P; Kim, Sunghwan

    2014-01-01

    In this study, a phase-correction technique was applied to the study of crude oil spectra obtained using a 7 T Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). 7 T FT-ICR MS had not been widely used for oil analysis due to the lower resolving power compared with high field FT-ICR MS. For low field instruments, usage of data that has not been phase-corrected results in an inability to resolve critical mass splits of C3 and SH4 (3.4 mDa), and (13)C and CH (4.5 mDa). This results in incorrect assignments of molecular formulae, and discontinuous double bond equivalents (DBE) and carbon number distributions of S1, S2, and hydrocarbon classes are obtained. Application of phase correction to the same data, however, improves the reliability of assignments and produces continuous DBE and carbon number distributions. Therefore, this study clearly demonstrates that phase correction improves data analysis and the reliability of assignments of molecular formulae in crude oil anlayses.

  4. Structural and optical properties of AgCl-sensitized TiO2 (TiO2 @AgCl prepared by a reflux technique under alkaline condition

    Directory of Open Access Journals (Sweden)

    V. A. Mu’izayanti

    Full Text Available Abstract The AgCl-sensitized TiO2 (TiO2@AgCl has been prepared from the precursor of TiO2-rutile type which on its surface adsorb chloride anion (Cl- and various amounts of silver using AgNO3 as starting material: AgNO3/(AgNO3+TiO2 mass ratio of 0.00, 1.14, 3.25, 6.38 and 10.32%. Reflux under alkaline condition was the employed technique. All samples were characterized by X-ray diffraction (XRD and diffuse reflectance UV-vis spectroscopy. The sample without the addition of AgNO3 was analyzed by scanning electron microscope and surface area analyzer. The morphology of the sample showed a distribution of microspheres of approximately 0.5 to 1.0 µm and the specific surface area was 68 m2/g. XRD patterns indicated that the sample without the addition of AgNO3 contained two types of TiO2: rutile (major and anatase (minor, whereas the samples with the addition of AgNO3 consisted of one phase of AgCl and two types of TiO2: rutile and anatase. The bandgaps of the samples were in the range of 2.97 to 3.24 eV, which were very close to the bandgap of intrinsic TiO2 powder. The presence of 0.8, 2.6 and 4.4 wt% of AgCl in each sample resulted in an additional bandgap in visible light region of 1.90, 1.94 and 2.26 eV, respectively, whereas the presence of 9.4 wt% of AgCl in the sample resulted in two bandgaps in visible light region of 1.98 and 1.88 eV.

  5. Recent ion optics and mass spectrometers

    International Nuclear Information System (INIS)

    Matsuda, Hisashi

    1976-01-01

    The establishment of the third order approximation method for computing the orbit of the ion optical system for mass spectrometers and the completion of its computer program are reported. A feature of this orbit computation is in that the effect of the fringing field can be considered with the accuracy of third order approximation. Several new ion optical systems for mass spectrometers have been proposed by using such orbit computing programs. Brief explanation and the description on the future prospect and problems are made on the following items: the vertual image double focusing mass spectrometer, the second order double focusing mass spectrometer, the E x B superposed field mass spectrometer, and the apparatus with a cylindrical electric field and Q-lens. In the E x B superposed field with Matsuda plates, if the magnetic field is generated by an electromagnet instead of a permanent magnet, the dispersion of mass and energy can be changed at will. The Matsuda plates are known as the auxiliary electrodes positioned at the top and bottom of a cylindrical capacitor. Utilizing those characteristics, a zoom spectrometer can be made, with which only a necessary part of mass spectra can be investigated in detail, but the whole spectra are investigated roughly. In addition, the distribution of energy can be investigated simultaneously after the separation of ionic mass similarly to the parabola apparatus. (Iwakiri, K.)

  6. Infrared Model Spectra for Evolving Red Supergiants

    Directory of Open Access Journals (Sweden)

    Kyung-Won Suh

    1993-06-01

    Full Text Available The space and ground based infrared spectra of red supergiants are modeled and arranged in order of their evolutionary status with their theoretical model parameters. The chemical compositions of the dust shells around red supergiants are affected by the nuclear reaction and dredge-up processes of the cental stars. The processes are sensitively dependent on the initial mass, the initial chemical composition, and the evolutionary status. Miras, infrared carbon stars, and OH/IR stars have close link in their evolution in manu aspects, i,e., the chemical composition, the optical depths and the mass loss rates. The evolutionary tracks for the three classes of red supergiants on infrared two-color diagrams have been made from model calculations and IRAS observational data.

  7. What can we learn from p perpendicular spectra in heavy-ion collisions at the AGS?

    International Nuclear Information System (INIS)

    Cole, B.A.

    1994-01-01

    Inclusive and semi-inclusive cross-sections for production of pions, kaons, and protons in Si+Al, Si+Cu, and Si+Au collisions, measured at the nucleon-nucleon center-of-mass rapidity are presented. The functional forms of the spectra are discussed. The centrality dependence of the inverse m perpendicular slopes is shown. Deviations in the spectra from pure exponential-m perpendicular distributions are discussed. The effects of resonance decays on the shape of the pion spectra are studied using previously measured p-p data, Si+Al data from E802, and the ARC model

  8. Identification of inorganic anions by gas chromatography/mass spectrometry.

    Science.gov (United States)

    Sakayanagi, Masataka; Yamada, Yaeko; Sakabe, Chikako; Watanabe, Kunio; Harigaya, Yoshihiro

    2006-03-10

    Inorganic anions were identified by using gas chromatography/mass spectrometry (GC/MS). Derivatization of the anions was achieved with pentafluorobenzyl p-toluenesulphonate (PFB-Tos) as the reaction reagent and a crown ether as a phase transfer catalyst. When PFB-Br was used as the reaction reagent, the retention time of it was close to those of the derivatized inorganic anions and interfered with the analysis. In contrast, the retention time of PFB-Tos differed greatly from the PFB derivatives of the inorganic anions and the compounds of interest could be detected without interference. Although the PFB derivatives of SO4, S2O3, CO3, ClO4, and ClO3 could not be detected, the derivatives of F, Cl, Br, I, CN, OCN, SCN, N3, NO3, and NO2 were detected using PFB-Tos as the derivatizing reagent. The inorganic anions were detectable within 30 ng approximately, which is of sufficient sensitivity for use in forensic chemistry. Accurate mass number was measured for each PFB derivative by high-resolution mass spectrometry (HRMS) within a measurement error of 2 millimass units (mmu), which allowed determination of the compositional formula from the mass number. In addition, actual analysis was performed successively by our method using trial samples of matrix.

  9. Simulation of NaCl and KCl mass transfer during salting of Prato cheese in brine with agitation: a numerical solution

    Directory of Open Access Journals (Sweden)

    E. Bona

    2007-09-01

    Full Text Available The association of dietary NaCl with arterial hypertension has led to a reduction in the levels of this salt in cheeses. For salting, KCl has been used as a partial substitute for NaCl, which cannot be completely substituted without affecting product acceptability. In this study a sensorially adequate saline solution (NaCl/KCl was simultaneously diffused during salting of Prato cheese in brine with agitation. The simultaneous multicomponent diffusion during the process was modeled with Fick’s second generalized law. The system of partial differential equations formed was solved by the finite element method (FEM. In the experimental data concentration the deviation for NaCl was of 7.3% and for KCl of 5.4%, both of which were considered acceptable. The simulation of salt diffusion will allow control and modulation of salt content in Prato cheese, permitting the prediction of final content from initial conditions.

  10. Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method.

    Science.gov (United States)

    Guo, Meiyuan; Sørensen, Lasse Kragh; Delcey, Mickaël G; Pinjari, Rahul V; Lundberg, Marcus

    2016-01-28

    The intensities and relative energies of metal K pre-edge features are sensitive to both geometric and electronic structures. With the possibility to collect high-resolution spectral data it is important to find theoretical methods that include all important spectral effects: ligand-field splitting, multiplet structures, 3d-4p orbital hybridization, and charge-transfer excitations. Here the restricted active space (RAS) method is used for the first time to calculate metal K pre-edge spectra of open-shell systems, and its performance is tested against on six iron complexes: [FeCl6](n-), [FeCl4](n-), and [Fe(CN)6](n-) in ferrous and ferric oxidation states. The method gives good descriptions of the spectral shapes for all six systems. The mean absolute deviation for the relative energies of different peaks is only 0.1 eV. For the two systems that lack centrosymmetry [FeCl4](2-/1-), the ratios between dipole and quadrupole intensity contributions are reproduced with an error of 10%, which leads to good descriptions of the integrated pre-edge intensities. To gain further chemical insight, the origins of the pre-edge features have been analyzed with a chemically intuitive molecular orbital picture that serves as a bridge between the spectra and the electronic structures. The pre-edges contain information about both ligand-field strengths and orbital covalencies, which can be understood by analyzing the RAS wavefunction. The RAS method can thus be used to predict and rationalize the effects of changes in both the oxidation state and ligand environment in a number of hard X-ray studies of small and medium-sized molecular systems.

  11. A systematic analysis of the spectra of trivalent actinide chlorides in D3h site symmetry

    International Nuclear Information System (INIS)

    Carnall, W.T.

    1989-11-01

    The optical spectra of actinide ions in the compound AnCl 3 and doped into single crystal LaCl 3 were interpreted in terms of transitions within 5f N configurations. Energy-level calculations were carried out using an effective operator Hamiltonian, the parameters of which were determined by fitting experimental data. Atomic and crystal-field matrices were diagonalized simultaneously assuming an approximate D 3h site symmetry. The spectroscopic data were taken from the literature but in most cases supplemented by unpublished measurements in absorption and in fluorescence. Spectroscopic data for each ion were analyzed independently, then the model parameters were intercompared and in many cases adjusted such that in the final fitting process the principal interactions showed uniform trends in parameter values with increasing atomic number. Consistent with analyses of the spectra of lanthanide ions in both LaCl 3 and LaF 3 , abrupt changes in magnitude of certain crystal-field parameters were found near the center of the 5f N -series. This resulted in two groups of parameter values, but with consistent trends for both halves of the series, and generally very good agreement between observed and computed energies. A new energy level chart based on computed crystal-field level energies for each trivalent actinide ion has been prepared. in addition, the parameters of the atomic part of each 5f N Hamiltonian were used to calculate the matrix elements of U (λ) for selected transitions. The values were tabulated to facilitate calculation of intensity-related parameters for 5f N -transitions using the Judd-Ofelt theory. 44 refs., 10 figs., 3 tabs

  12. [The NIR spectra based variety discrimination for single soybean seed].

    Science.gov (United States)

    Zhu, Da-Zhou; Wang, Kun; Zhou, Guang-Hua; Hou, Rui-Feng; Wang, Cheng

    2010-12-01

    With the development of soybean producing and processing, the quality breeding becomes more and more important for soybean breeders. Traditional sampling detection methods for soybean quality need to destroy the seed, and does not satisfy the requirement of earlier generation materials sieving for breeding. Near infrared (NIR) spectroscopy has been widely used for soybean quality detection. However, all these applications were referred to mass samples, and they were not suitable for little or single seed detection in breeding procedure. In the present study, the acousto--optic tunable filter (AOTF) NIR spectroscopy was used to measure the single soybean seed. Two varieties of soybean were measured, which contained 60 KENJIANDOU43 seeds and 60 ZHONGHUANG13 seeds. The results showed that NIR spectra combined with soft independent modeling of class analogy (SIMCA) could accurately discriminate the soybean varieties. The classification accuracy for KENJIANDOU43 seeds and ZHONGHUANG13 was 100%. The spectra of single soybean seed were measured at different positions, and it showed that the seed shape has significant influence on the measurement of spectra, therefore, the key point for single seed measurement was how to accurately acquire the spectra and keep their representativeness. The spectra for soybeans with glossy surface had high repeatability, while the spectra of seeds with external defects had significant difference for several measurements. For the fast sieving of earlier generation materials in breeding, one could firstly eliminate the seeds with external defects, then apply NIR spectra for internal quality detection, and in this way the influence of seed shape and external defects could be reduced.

  13. Interpretation of the parameters of the EPR spectra of transition metal complexes

    International Nuclear Information System (INIS)

    Murav'ev, V.I.

    2005-01-01

    The calculated parameters of the EPR spectra of complexes of d 1 and d 9 ions, inclusive of MoOX 5 (X = Cl, Br), are reviewed. The covalent bond parameters used in the calculations were determined from EPR and experimental optical data (inverse problem of EPR spectroscopy). Various contributions to the expressions for the EPR parameters were compared. The observed abnormal values of the EPR parameters were discussed. The effects of charge-transfer states and the vibronic coupling on the components of g, A, and A L tensors were considered. Mechanisms of spin density transfer to ligands in paramagnetic complexes were proposed [ru

  14. Mass Spectrometric Study of Some Fluoroquinolone Drugs Using Electron Ionization and Chemical Ionization Techniques in Combination With Semi-Empirical Calculations

    International Nuclear Information System (INIS)

    Abd EL Kareem, M.S.M.

    2013-01-01

    A mass spectrometer of the type QMS (SSQ710) is used to record the electron ionization mass spectra of some 6-fluoroquinolones molecules, namely: Norfloxacin, Pefloxacin, Ciprofloxacin and Levofloxacin.While the chemical ionization mass spectra of these compounds are recorded using Thermo Finnigan TRACE DSQ GC/MS system.In EI mass spectra, the relative intensities for the molecular ions [M] +. of the studied compounds and the prominent fragment ions are reported and discussed. Furthermore, fragmentation patterns for the four compounds have been suggested and discussed and the most important fragmentation processes such as [M-CO 2 ] +. , [M-C 2 H 4 N] + and [M-CO 2 -C 2 H 4 N] + are investigated.On the other hand, the chemical ionization (CI) mass spectra of the compounds have been recorded using methane as the reagent gas. These spectra are discussed in terms of the structure of the compounds, with particular reference to their conventional electron ionization mass spectra. The protonated molecules [M + H] + are more relatively intense than [M] +. ions in the recorded EI mass spectra indicating higher stability in the case of [M + H] + .Also, fragmentation patterns for the four compounds have been suggested and discussed (using chemical ionization technique) and the most important fragmentation processes such as [MH-CO 2 ] +. , [MH-C 2 H 4 N] + and [MH-H 2 O] + are investigated.

  15. ACTIV - a program for automatic processing of gamma-ray spectra

    International Nuclear Information System (INIS)

    Zlokazov, V.B.

    1982-01-01

    Program ACTIV is intended for precise analysis of γ-rays and X-ray spectra and allows the user to carry out the full cycle of automatic processing of a series of spectra, i.e. calibration, automatic peak search, determination of peak positions and areas, identification of the radioisotopes and the transformation of the areas found into masses of isotopes in the irradiated sample. ACTIV uses a complex mathematical technique and is oriented mainly to large computers, but using overlaid loading, it can be run also on small computers like the PDP 11/70. Compared with other similar programs, ACTIV has some advantages in accuracy of peak shape description and in the reliability of the peak search and its least-square analysis. The program can be used for the purpose of activation analysis. The program can analyze spectra with poor statistics and with broad and narrow peaks. (orig.)

  16. Predicting Near Edge X-ray Absorption Spectra with the Spin-Free Exact-Two-Component Hamiltonian and Orthogonality Constrained Density Functional Theory.

    Science.gov (United States)

    Verma, Prakash; Derricotte, Wallace D; Evangelista, Francesco A

    2016-01-12

    Orthogonality constrained density functional theory (OCDFT) provides near-edge X-ray absorption (NEXAS) spectra of first-row elements within one electronvolt from experimental values. However, with increasing atomic number, scalar relativistic effects become the dominant source of error in a nonrelativistic OCDFT treatment of core-valence excitations. In this work we report a novel implementation of the spin-free exact-two-component (X2C) one-electron treatment of scalar relativistic effects and its combination with a recently developed OCDFT approach to compute a manifold of core-valence excited states. The inclusion of scalar relativistic effects in OCDFT reduces the mean absolute error of second-row elements core-valence excitations from 10.3 to 2.3 eV. For all the excitations considered, the results from X2C calculations are also found to be in excellent agreement with those from low-order spin-free Douglas-Kroll-Hess relativistic Hamiltonians. The X2C-OCDFT NEXAS spectra of three organotitanium complexes (TiCl4, TiCpCl3, TiCp2Cl2) are in very good agreement with unshifted experimental results and show a maximum absolute error of 5-6 eV. In addition, a decomposition of the total transition dipole moment into partial atomic contributions is proposed and applied to analyze the nature of the Ti pre-edge transitions in the three organotitanium complexes.

  17. Total mass difference statistics algorithm: a new approach to identification of high-mass building blocks in electrospray ionization Fourier transform ion cyclotron mass spectrometry data of natural organic matter.

    Science.gov (United States)

    Kunenkov, Erast V; Kononikhin, Alexey S; Perminova, Irina V; Hertkorn, Norbert; Gaspar, Andras; Schmitt-Kopplin, Philippe; Popov, Igor A; Garmash, Andrew V; Nikolaev, Evgeniy N

    2009-12-15

    The ultrahigh-resolution Fourier transform ion cyclotron resonance (FTICR) mass spectrum of natural organic matter (NOM) contains several thousand peaks with dozens of molecules matching the same nominal mass. Such a complexity poses a significant challenge for automatic data interpretation, in which the most difficult task is molecular formula assignment, especially in the case of heavy and/or multielement ions. In this study, a new universal algorithm for automatic treatment of FTICR mass spectra of NOM and humic substances based on total mass difference statistics (TMDS) has been developed and implemented. The algorithm enables a blind search for unknown building blocks (instead of a priori known ones) by revealing repetitive patterns present in spectra. In this respect, it differs from all previously developed approaches. This algorithm was implemented in designing FIRAN-software for fully automated analysis of mass data with high peak density. The specific feature of FIRAN is its ability to assign formulas to heavy and/or multielement molecules using "virtual elements" approach. To verify the approach, it was used for processing mass spectra of sodium polystyrene sulfonate (PSS, M(w) = 2200 Da) and polymethacrylate (PMA, M(w) = 3290 Da) which produce heavy multielement and multiply-charged ions. Application of TMDS identified unambiguously monomers present in the polymers consistent with their structure: C(8)H(7)SO(3)Na for PSS and C(4)H(6)O(2) for PMA. It also allowed unambiguous formula assignment to all multiply-charged peaks including the heaviest peak in PMA spectrum at mass 4025.6625 with charge state 6- (mass bias -0.33 ppm). Application of the TMDS-algorithm to processing data on the Suwannee River FA has proven its unique capacities in analysis of spectra with high peak density: it has not only identified the known small building blocks in the structure of FA such as CH(2), H(2), C(2)H(2)O, O but the heavier unit at 154.027 amu. The latter was

  18. Study on elemental analysis of metal and ceramic samples by using laser ablation ion trap mass spectrometry(LAITMS)

    International Nuclear Information System (INIS)

    Cha, Hyung Ki; Park, Hyun Kook; Lee, Sang Chun; SONG, Kyu Seok

    2002-01-01

    Laser ablation ion trap mass spectrometry (LAITMS) was developed for the analysis of metal and ceramic samples. For this study, XeCl excimer laser (308 nm) was used for ablating the samples and ITMS was used as a detector. Samples were introduced from outside of a ring electrode and this way of sample introduction was very effective for solid samples when laser ablation was employed. Helium gas was used as a buffer gas, and its effect on sensitivity and some parameters (buffer gas pressure, ion storage time, and cut-off RF voltage) were studied. The optimized conditions were 1 x 10 - 4 Torr of buffer gas pressure, 100 ms of ion storage time and 1150 V p- p of cut-off RF voltage. From that results, copper (Cu) and molybdenum(Mo) metals were tested with LAITMS and the mass spectra of these pure metals were compared with the natural abundance of isotope ratio. We also examined ceramic samples (Al 2 O 3 , ZrO 2 ) and represented the result of elements analysis

  19. Cosmic ray LET spectra and doses on board Cosmos-2044 biosatellite

    International Nuclear Information System (INIS)

    Dudkin, V.E.; Kovalev, E.E.; Potapov, Yu.V.

    1992-01-01

    Results of the experiments on board Cosmos-2044 (Biosatellite 9) are presented. Various nuclear track detectors (NTD) (dielectric, AgCl-based, nuclear emulsions) were used to obtain the LET spectra inside and outside the satellite. The spectra from the different NTDs have proved to be in general agreement. The results of LET spectra calculations using two different models are also presented. The resultant LET distributions are used to calculate the absorbed and equivalent doses and the orbit-averaged quality factors (QF) of the cosmic rays (CR). Absorbed dose rates inside (∼ 20 g cm -2 shielding) and outside (1 g cm -2 ) the spacecraft, omitting electrons, were found to be 4.8 and 8.6 mrad d -1 , respectively, while the corresponding equivalent doses were 8.8 and 19.7 mrem d -1 . The effects of the flight parameters on the total fluence of, and on the dose from, the CR particles are analyzed. Integral dose distributions of the detected particles are also determined. The LET values which separate absorbed and equivalent doses into 50% intervals are estimated. The CR-39 dielectric NTD is shown to detect 20-30% of the absorbed dose and 60-70% of the equivalent dose in the Cosmos-2044 orbit. The influence of solar activity phase on the magnitude of the CR flux is discussed. (author)

  20. Determination of the optical absorption spectra of thin layers from their photoacoustic spectra

    Science.gov (United States)

    Bychto, Leszek; Maliński, Mirosław; Patryn, Aleksy; Tivanov, Mikhail; Gremenok, Valery

    2018-05-01

    This paper presents a new method for computations of the optical absorption coefficient spectra from the normalized photoacoustic amplitude spectra of thin semiconductor samples deposited on the optically transparent and thermally thick substrates. This method was tested on CuIn(Te0.7Se0.3)2 thin films. From the normalized photoacoustic amplitude spectra, the optical absorption coefficient spectra were computed with the new formula as also with the numerical iterative method. From these spectra, the value of the energy gap of the thin film material and the type of the optical transitions were determined. From the experimental optical transmission spectra, the optical absorption coefficient spectra were computed too, and compared with the optical absorption coefficient spectra obtained from photoacoustic spectra.