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Sample records for capture dissociation mass

  1. Comparison of peptide mass mapping and electron capture dissociation as assays for histone posttranslational modifications

    Science.gov (United States)

    Zhang, Liwen; Freitas, Michael A.

    2004-05-01

    Posttranslational modifications of core histones play a critical role in the structure of chromatin and the regulation of gene activities. Improved techniques for determining these modification sites may lead to a better understanding of histone regulation at the molecular level. LC-MS peptide mass mapping was performed on pepsin, trypsin and Glu-C digests of bovine thymus H4 using a QqTOF instrument. The well established modification sites of H4 (acetylation of K8, 12, 16 and methylation of K20) were observed in addition to several recently discovered modifications including: methylation of K31, 44, 59 and acetylation of K20, 77, 79. For comparison, electron capture dissociation (ECD) was performed on intact H4 along with several peptides from enzymatic digestion. The results from the ECD experiments of histone H4 indicated the acetylation of K5, 12, 16, 31, 91 and the methylation of K20 and 59 in good agreement with the result from peptide mapping. The work is dedicated to Alan G. Marshall on his 60th birthday. His endeavors in the advancement of FT-ICR facilitated experiments reported herein.

  2. A review of electron-capture and electron-transfer dissociation tandem mass spectrometry in polymer chemistry.

    Science.gov (United States)

    Hart-Smith, Gene

    2014-01-15

    Mass spectrometry (MS)-based studies of synthetic polymers often characterise detected polymer components using mass data alone. However when mass-based characterisations are ambiguous, tandem MS (MS/MS) offers a means by which additional analytical information may be collected. This review provides a synopsis of two particularly promising methods of dissociating polymer ions during MS/MS: electron-capture and electron-transfer dissociation (ECD and ETD, respectively). The article opens with a summary of the basic characteristics and operating principles of ECD and ETD, and relates these techniques to other methods of dissociating gas-phase ions, such as collision-induced dissociation (CID). Insights into ECD- and ETD-based MS/MS, gained from studies into proteins and peptides, are then discussed in relation to polymer chemistry. Finally, ECD- and ETD-based studies into various classes of polymer are summarised; for each polymer class, ECD- and ETD-derived data are compared to CID-derived data. These discussions identify ECD and ETD as powerful means by which unique and diagnostically useful polymer ion fragmentation data may be generated, and techniques worthy of increased utilisation by the polymer chemistry community.

  3. Mapping a Noncovalent Protein-Peptide Interface by Top-Down FTICR Mass Spectrometry Using Electron Capture Dissociation

    Science.gov (United States)

    Clarke, David J.; Murray, Euan; Hupp, Ted; Mackay, C. Logan; Langridge-Smith, Pat R. R.

    2011-08-01

    Noncovalent protein-ligand and protein-protein complexes are readily detected using electrospray ionization mass spectrometry (ESI MS). Furthermore, recent reports have demonstrated that careful use of electron capture dissociation (ECD) fragmentation allows covalent backbone bonds of protein complexes to be dissociated without disruption of noncovalent protein-ligand interactions. In this way the site of protein-ligand interfaces can be identified. To date, protein-ligand complexes, which have proven tractable to this technique, have been mediated by ionic electrostatic interactions, i.e., ion pair interactions or salt bridging. Here we extend this methodology by applying ECD to study a protein-peptide complex that contains no electrostatics interactions. We analyzed the complex between the 21 kDa p53-inhibitor protein anterior gradient-2 and its hexapeptide binding ligand (PTTIYY). ECD fragmentation of the 1:1 complex occurs with retention of protein-peptide binding and analysis of the resulting fragments allows the binding interface to be localized to a C-terminal region between residues 109 and 175. These finding are supported by a solution-phase competition assay, which implicates the region between residues 108 and 122 within AGR2 as the PTTIYY binding interface. Our study expands previous findings by demonstrating that top-down ECD mass spectrometry can be used to determine directly the sites of peptide-protein interfaces. This highlights the growing potential of using ECD and related top-down fragmentation techniques for interrogation of protein-protein interfaces.

  4. On the viability of heterolytic peptide N-C(α) bond cleavage in electron capture and transfer dissociation mass spectrometry.

    Science.gov (United States)

    Wodrich, Matthew D; Zhurov, Konstantin O; Corminboeuf, Clémence; Tsybin, Yury O

    2014-03-20

    While frequently employed as an experimental technique, the mechanistic picture surrounding the gas-phase dissociation of peptides carrying multiple positive charges during electron capture and electron transfer dissociation tandem mass spectrometry remains incomplete. Despite this mechanistic uncertainty, most proposals agree that the peptide backbone N-Cα bond located to the C-terminal (right) side of an aminoketyl radical formed in a peptide backbone during the electron capture process is homolytically cleaved. Recently, we introduced the "enol" mechanism, which proposes that a backbone N-Cα bond located to the N-terminal (left) side of an aminoketyl radical is cleaved heterolytically. Here, we further validate this mechanism using replica-exchange molecular dynamics to create unbiased representative sets of low-energy conformers for several model tryptic peptide systems (H-Alax-Lys-OH(2+), x = 3-5). Transition state barrier enthalpies for the cleavage of N-Cα bonds proceeding via the homolytic (right-side) and heterolytic (left-side) pathways, determined by density functional computations, identify the preferred cleavage route for each conformer. These findings support our original hypothesis that heterolytic N-Cα cleavage can exist in a competitive balance with homolytic cleavages, independent of the relative energy of the precursor dication species. Smaller peptide systems see decreased heterolytic N-Cα cleavage probabilities, likely resulting from an insufficient hydrogen-bonding network needed to stabilize and ultimately annihilate the transition state zwitterion. This observation may explain the early dismissal of left-side cleavage pathways based on computational studies employing small model systems.

  5. Electron capture dissociation of singly and multiply phosphorylated peptides

    DEFF Research Database (Denmark)

    Stensballe, A; Jensen, Ole Nørregaard; Olsen, J V

    2000-01-01

    Analysis of phosphotyrosine and phosphoserine containing peptides by nano-electrospray Fourier transform ion cyclotron resonance (FTICR) mass spectrometry established electron capture dissociation (ECD) as a viable method for phosphopeptide sequencing. In general, ECD spectra of synthetic...... and native phosphopeptides appeared less complex than conventional collision activated dissociation (CAD) mass spectra of these species. ECD of multiply protonated phosphopeptide ions generated mainly c- and z(.)-type peptide fragment ion series. No loss of water, phosphate groups or phosphoric acid from......(III)-affinity chromatography combined with nano-electrospray FTMS/ECD facilitated phosphopeptide analysis and amino acid sequencing from crude proteolytic peptide mixtures....

  6. Gas-phase structure of amyloid-β (12-28) peptide investigated by infrared spectroscopy, electron capture dissociation and ion mobility mass spectrometry.

    Science.gov (United States)

    Le, Thi Nga; Poully, Jean Christophe; Lecomte, Frédéric; Nieuwjaer, Nicolas; Manil, Bruno; Desfrançois, Charles; Chirot, Fabien; Lemoine, Jerome; Dugourd, Philippe; van der Rest, Guillaume; Grégoire, Gilles

    2013-12-01

    The gas-phase structures of doubly and triply protonated Amyloid-β12-28 peptides have been investigated through the combination of ion mobility (IM), electron capture dissociation (ECD) mass spectrometry, and infrared multi-photon dissociation (IRMPD) spectroscopy together with theoretical modeling. Replica-exchange molecular dynamics simulations were conducted to explore the conformational space of these protonated peptides, from which several classes of structures were found. Among the low-lying conformers, those with predicted diffusion cross-sections consistent with the ion mobility experiment were further selected and their IR spectra simulated using a hybrid quantum mechanical/semiempirical method at the ONIOM DFT/B3LYP/6-31 g(d)/AM1 level. In ECD mass spectrometry, the c/z product ion abundance (PIA) has been analyzed for the two charge states and revealed drastic differences. For the doubly protonated species, N - Cα bond cleavage occurs only on the N and C terminal parts, while a periodic distribution of PIA is clearly observed for the triply charged peptides. These PIA distributions have been rationalized by comparison with the inverse of the distances from the protonated sites to the carbonyl oxygens for the conformations suggested from IR and IM experiments. Structural assignment for the amyloid peptide is then made possible by the combination of these three experimental techniques that provide complementary information on the possible secondary structure adopted by peptides. Although globular conformations are favored for the doubly protonated peptide, incrementing the charge state leads to a conformational transition towards extended structures with 310- and α-helix motifs.

  7. Unexpected tolerance of glycosylation by UDP-GalNAc:polypeptide alpha-N-acetylgalactosaminyltransferase revealed by electron capture dissociation mass spectrometry: carbohydrate as potential protective groups.

    Science.gov (United States)

    Yoshimura, Yayoi; Matsushita, Takahiko; Fujitani, Naoki; Takegawa, Yasuhiro; Fujihira, Haruhiko; Naruchi, Kentarou; Gao, Xiao-Dong; Manri, Naomi; Sakamoto, Takeshi; Kato, Kentaro; Hinou, Hiroshi; Nishimura, Shin-Ichiro

    2010-07-20

    UDP-GalNAc:polypeptide alpha-N-acetylgalactosaminyltransferases (ppGalNAcTs, EC 2.4.1.41), a family of key enzymes that initiate posttranslational modification with O-glycans in mucin synthesis by introduction of alpha-GalNAc residues, are structurally composed of a catalytic domain and a lectin domain. It has been known that multiple Ser/Thr residues are assigned in common mucin glycoproteins as potential O-glycosylation sites and more than 20 distinct isoforms of this enzyme family contribute to produce densely O-glycosylated mucin glycoproteins. However, it seems that the functional role of the lectin domain of ppGalNAcTs remains unclear. We considered that electron capture dissociation mass spectrometry (ECD-MS), a promising method for highly selective fragmentation at peptide linkages of glycopeptides to generate unique c and z series of ions, should allow for precise structural characterization to uncover the mechanism in O-glycosylation of mucin peptides by ppGalNAcTs. In the present study, it was demonstrated that a system composed of an electrospray source, a linear RFQ ion trap that isolates precursor ions, the ECD device, and a TOF mass spectrometer is a nice tool to identify the preferential O-glycosylation sites without any decomposition of the carbohydrate moiety. It should be noted that electrons used for ECD are accelerated within a range from 1.75 to 9.75 eV depending on the structures of glycopeptides of interest. We revealed for the first time that additional installation of a alpha-GalNAc residue at potential glycosylation sites by ppGalNAcT2 proceeds smoothly in various unnatural glycopeptides having alpha-Man, alpha-Fuc, and beta-Gal residues as well as alpha-GalNAc residues. The results may suggest that ppGalNAcT2 did not differentiate totally presubstituted sugar residues in terms of configuration of functional groups, d-, l-configuration, and even alpha-, beta-stereochemistry at an anomeric carbon atom when relatively short synthetic

  8. Difference of Electron Capture and Transfer Dissociation Mass Spectrometry on Ni2+-, Cu2+-, and Zn2+-Polyhistidine Complexes in the Absence of Remote Protons

    Science.gov (United States)

    Asakawa, Daiki; De Pauw, Edwin

    2016-07-01

    Electron capture dissociation (ECD) and electron transfer dissociation (ETD) in metal-peptide complexes are dependent on the metal cation in the complex. The divalent transition metals Ni2+, Cu2+, and Zn2+ were used as charge carriers to produce metal-polyhistidine complexes in the absence of remote protons, since these metal cations strongly bind to neutral histidine residues in peptides. In the case of the ECD and ETD of Cu2+-polyhistidine complexes, the metal cation in the complex was reduced and the recombination energy was redistributed throughout the peptide to lead a zwitterionic peptide form having a protonated histidine residue and a deprotonated amide nitrogen. The zwitterion then underwent peptide bond cleavage, producing a and b fragment ions. In contrast, ECD and ETD induced different fragmentation processes in Zn2+-polyhistidine complexes. Although the N-Cα bond in the Zn2+-polyhistidine complex was cleaved by ETD, ECD of Zn2+-polyhistidine induced peptide bond cleavage accompanied with hydrogen atom release. The different fragmentation modes by ECD and ETD originated from the different electronic states of the charge-reduced complexes resulting from these processes. The details of the fragmentation processes were investigated by density functional theory.

  9. Electron Capture Dissociation of Weakly Bound Polypeptide Polycationic Complexes

    DEFF Research Database (Denmark)

    Haselmann, Kim F; Jørgensen, Thomas J D; Budnik, Bogdan A;

    2002-01-01

    We have previously reported that, in electron capture dissociation (ECD), rupture of strong intramolecular bonds in weakly bound supramolecular aggregates can proceed without dissociation of weak intermolecular bonds. This is now illustrated on a series of non-specific peptide-peptide dimers...... as well as specific complexes of modified glycopeptide antibiotics with their target peptide. The weak nature of bonding is substantiated by blackbody infrared dissociation, low-energy collisional excitation and force-field simulations. The results are consistent with a non-ergodic ECD cleavage mechanism....

  10. Dissociative electron capture by. pi. -allyliron tricarbonyl halide molecules

    Energy Technology Data Exchange (ETDEWEB)

    Nekrasov, Y.S.; Avakyan, N.P.; Khvostenko, V.I.; Kritskaya, I.I.; Maurodiev, V.K.; Mazunov, V.A.

    1985-12-20

    Result are given for a study of dissociative electron impact by complexes (I)-(III), C/sub 3/H/sub 5/Fe (CO)/sub 3/ /SUP X/ , where X - C1 (I), Br (II), and of -allyliron tricarbonyl halides upon dissociative electron capture. The mechanisms for the formation of C/sub 3/H/sub 5/Fe (CO)/sup -//sub 3/ anions in the gas phase and under electrochemical reduction conditions on a dropping mercury electrode were shown to differ. A predominant effect was proposed for solvation factors on the electrochemical reduction in the condensed phase.

  11. Complete characterization of posttranslational modification sites in the bovine milk protein PP3 by tandem mass spectrometry with electron capture dissociation as the last stage

    DEFF Research Database (Denmark)

    Kjeldsen, Frank; Haselmann, Kim F; Budnik, Bogdan A

    2003-01-01

    the PTM site. Chromatographic peak analysis continues until full sequence coverage is obtained, after which the molecular mass is reconstructed and compared with the measured value. An agreement indicates that the PTM characterization was complete. This procedure applied to the bovine milk PP3 protein......A comprehensive approach to protein identification and determination of sites of posttranslational modifications (PTMs) in heavily modified proteins was tested. In this approach, termed "reconstructed molecular mass analysis" (REMMA), the molecular mass distribution of the intact protein...... is measured first, which reveals the extent and heterogeneity of modifications. Then the protein is digested with one or several enzymes, with peptides separated by reversed-phase HPLC, and analyzed by Fourier transform mass spectrometry (FTMS). Vibrational excitation (collisional or infrared) or electron...

  12. Theory and Application of Dissociative Electron Capture in Molecular Identification

    CERN Document Server

    Havey, C D; Jones, T; Voorhees, K J; Laramee, J A; Cody, R B; Clougherty, D P; Eberhart, Mark; Voorhees, Kent J.; Laramee, James A.; Cody, Robert B.; Clougherty, Dennis P.

    2006-01-01

    The coupling of an electron monochromator (EM) to a mass spectrometer (MS) has created a new analytical technique, EM-MS, for the investigation of electrophilic compounds. This method provides a powerful tool for molecular identification of compounds contained in complex matrices, such as environmental samples. EM-MS expands the application and selectivity of traditional MS through the inclusion of a new dimension in the space of molecular characteristics--the electron resonance energy spectrum. However, before this tool can realize its full potential, it will be necessary to create a library of resonance energy scans from standards of the molecules for which EM-MS offers a practical means of detection. Here, an approach supplementing direct measurement with chemical inference and quantum scattering theory is presented to demonstrate the feasibility of directly calculating resonance energy spectra. This approach makes use of the symmetry of the transition-matrix element of the captured electron to discriminat...

  13. Valence parity to distinguish c' and z• ions from electron capture dissociation/electron transfer dissociation of peptides: effects of isomers, isobars, and proteolysis specificity.

    Science.gov (United States)

    Mao, Yuan; Tipton, Jeremiah D; Blakney, Greg T; Hendrickson, Christopher L; Marshall, Alan G

    2011-10-15

    Valence parity provides a way to distinguish between N-terminal and C-terminal electron capture dissociation/electron transfer dissociation (ECD/ETD) product ions based on their number of hydrogen plus nitrogen atoms determined by accurate mass measurement and forms a basis for de novo peptide sequencing. The effect of mass accuracy (0.1-1 ppm error) on c'/z(•) overlap and unique elemental composition overlap is evaluated for a database of c'/z(•) product ions each based on all possible amino acid combinations and four subset databases containing the same c' ions but with z(•) ions determined by in silico digestion with trypsin, Glu-C, Lys-C, or chymotrypsin. High mass accuracy reduces both c'/z(•) overlap and unique elemental composition overlap. Of the four proteases, trypsin offers slightly better discrimination between N- and C-terminal ECD/ETD peptides. Interestingly, unique elemental composition overlap curves for c'/c' and z(•)/z(•) peptide ions exhibit discontinuities at certain nominal masses for 0.1-1.0 ppm mass error. Also, as noted in the companion article (Polfer et al. Anal. Chem.2011, DOI: 10.1021/ac201624t), the number of ECD/ETD product ion amino acid compositions as a function of nominal mass increases exponentially with mass but with a superimposed modulation due to higher prevalence of certain elemental compositions.

  14. Electron capture dissociation proceeds with a low degree of intramolecular migration of peptide amide hydrogens

    DEFF Research Database (Denmark)

    Rand, Kasper D; Adams, Christopher M; Zubarev, Roman A;

    2008-01-01

    scrambling) that occurs during vibrational excitation of gas-phase ions. Unlike traditional collisional ion activation, electron capture dissociation (ECD) is not associated with substantial vibrational excitation. We investigated the extent of intramolecular backbone amide hydrogen (1H/2H) migration upon...... ECD using peptides with a unique selective deuterium incorporation. Our results show that only limited amide hydrogen migration occurs upon ECD, provided that vibrational excitation prior to the electron capture event is minimized. Peptide ions that are excessively vibrationally excited...

  15. Dissociation and Mass Transfer Coefficients for Ammonia Volatilization Models

    Science.gov (United States)

    Process-based models are being used to predict ammonia emissions from manure sources, but their accuracy has not been fully evaluated for cattle manure. Laboratory trials were conducted to measure the dissociation and mass transfer coefficients for ammonia volatilization from media of buffered ammon...

  16. Comparison between Source-induced Dissociation and Collision-induced Dissociation of Ampicillin, Chloramphenicol, Ciprofloxacin, and Oxytetracycline via Mass Spectrometry

    OpenAIRE

    2013-01-01

    Mass spectrometry (MS) is a very powerful instrument that can be used to analyze a wide range of materials such as proteins, peptides, DNA, drugs, and polymers. The process typically involves either chemical or electron (impact) ionization of the analyte. The resulting charged species or fragment is subsequently identified by the detector. Usually, single mass uses source-induced dissociation (SID), whereas mass/mass uses collision-induced dissociation (CID) to analyze the chemical fragmentat...

  17. Hydrogen rearrangement to and from radical z fragments in electron capture dissociation of peptides

    DEFF Research Database (Denmark)

    Savitski, Mikhail M; Kjeldsen, Frank; Nielsen, Michael L

    2007-01-01

    capture dissociation (ECD), including previously unreported double H. losses. Consistent with the radical character of H. abstraction, the residue determining the formation rate of z' = z. + H. species is found to be the N-terminal residue in z. species. The size of the complementary c(m)' fragment turned...... out to be another important factor, with z' species dominating over z. ions for m carbon groups of residues composing the c' species, with Gln and His in the c' fragment promoting H. donation and Asp and Ala...

  18. Effect of structural parameters on the electron capture dissociation and collision-induced dissociation pathways of copper(II)-peptide complexes.

    Science.gov (United States)

    Chen, Xiangfeng; Wang, Ze; Li, Wan; Wong, Y L Elaine; Chan, T-W Dominic

    2015-01-01

    The gas-phase dissociation pathways of proteins/peptides are usually affected by the nature of the charge carrier and the sequence of amino acid residues. The effects of peptide structural parameters, including peptide composition, chain length and amide hydrogen, on the gas-phase dissociation of Cu(II)-model peptide complexes were explored in this study. Polyglycine peptides with flexible frames were used as probes to reduce the complexity of the system and illustrate the mechanism. Results revealed that the types of fragment ions generated in the electron capture dissociation (ECD) of Cu(II)-adducted peptides changed according to the basic amino acid residue composition. Charged or neutral tryptophan side-chain losses were observed in the collision-induced dissociation (CID) of Cu(II)-peptide complexes. Internal electron transfer between tryptophan and metal ion within the complex occurred during the CID reaction, leaving the charge-reduced Cu(+) as a closed d-shell stable electron configuration. The choice of the reaction channel was then determined by the gas-phase basicity of the peptide. Amide hydrogen was critical in the formation of metalated b-/y-ions in the ECD process as determined through mutation of the backbone amide group. Increasing the chain length suppressed the ECD of Cu-metalated peptide species. Our results indicate that the structural parameters of peptides play important roles in the gas-phase dissociation processes of Cu-peptide complexes.

  19. Probing the Gaseous Structure of a β-Hairpin Peptide with H/D Exchange and Electron Capture Dissociation

    Science.gov (United States)

    Straus, Rita N.; Jockusch, Rebecca A.

    2017-02-01

    An improved understanding of the extent to which native protein structure is retained upon transfer to the gas phase promises to enhance biological mass spectrometry, potentially streamlining workflows and providing fundamental insights into hydration effects. Here, we investigate the gaseous conformation of a model β-hairpin peptide using gas-phase hydrogen-deuterium (H/D) exchange with subsequent electron capture dissociation (ECD). Global gas-phase H/D exchange levels, and residue-specific exchange levels derived from ECD data, are compared among the wild type 16-residue peptide GB1p and several variants. High protection from H/D exchange observed for GB1p, but not for a truncated version, is consistent with the retention of secondary structure of GB1p in the gas phase or its refolding into some other compact structure. Four alanine mutants that destabilize the hairpin in solution show levels of protection similar to that of GB1p, suggesting collapse or (re)folding of these peptides upon transfer to the gas phase. These results offer a starting point from which to understand how a key secondary structural element, the β-hairpin, is affected by transfer to the gas phase. This work also demonstrates the utility of a much-needed addition to the tool set that is currently available for the investigation of the gaseous conformation of biomolecules, which can be employed in the future to better characterize gaseous proteins and protein complexes.

  20. Probing the Gaseous Structure of a β-Hairpin Peptide with H/D Exchange and Electron Capture Dissociation

    Science.gov (United States)

    Straus, Rita N.; Jockusch, Rebecca A.

    2016-12-01

    An improved understanding of the extent to which native protein structure is retained upon transfer to the gas phase promises to enhance biological mass spectrometry, potentially streamlining workflows and providing fundamental insights into hydration effects. Here, we investigate the gaseous conformation of a model β-hairpin peptide using gas-phase hydrogen-deuterium (H/D) exchange with subsequent electron capture dissociation (ECD). Global gas-phase H/D exchange levels, and residue-specific exchange levels derived from ECD data, are compared among the wild type 16-residue peptide GB1p and several variants. High protection from H/D exchange observed for GB1p, but not for a truncated version, is consistent with the retention of secondary structure of GB1p in the gas phase or its refolding into some other compact structure. Four alanine mutants that destabilize the hairpin in solution show levels of protection similar to that of GB1p, suggesting collapse or (re)folding of these peptides upon transfer to the gas phase. These results offer a starting point from which to understand how a key secondary structural element, the β-hairpin, is affected by transfer to the gas phase. This work also demonstrates the utility of a much-needed addition to the tool set that is currently available for the investigation of the gaseous conformation of biomolecules, which can be employed in the future to better characterize gaseous proteins and protein complexes.

  1. Native electrospray ionization and electron-capture dissociation for comparison of protein structure in solution and the gas phase.

    Science.gov (United States)

    Zhang, Hao; Cui, Weidong; Gross, Michael L

    2013-11-15

    The importance of protein and protein-complex structure motivates improvements in speed and sensitivity of structure determination in the gas phase and comparison with that in solution or solid state. An opportunity for the gas phase measurement is mass spectrometry (MS) combined with native electrospray ionization (ESI), which delivers large proteins and protein complexes in their near-native states to the gas phase. In this communication, we describe the combination of native ESI, electron-capture dissociation (ECD), and top-down MS for exploring the structures of ubiquitin and cytochrome c in the gas phase and their relation to those in the solid-state and solution. We probe structure by comparing the protein's flexible regions, as predicted by the B-factor in X-ray crystallography, with the ECD fragments. The underlying hypothesis is that maintenance of structure gives fragments that can be predicted from B-factors. This strategy may be applicable in general when X-ray structures are available and extendable to the study of intrinsically disordered proteins.

  2. Capture cross-section and rate of the 14C(, )15C reaction from the Coulomb dissociation of 15C

    Indian Academy of Sciences (India)

    Shubhchintak; Neelam; R Chatterjee

    2014-10-01

    We calculate the Coulomb dissociation of 15C on a Pb target at 68 MeV/u incident beam energy within the fully quantum mechanical distorted wave Born approximation formalism of breakup reactions. The capture cross-section and the subsequent rate of the 14C(, )15C reaction are calculated from the photodisintegration of 15C, using the principle of detailed balance. Our theoretical model is free from the uncertainties associated with the multipole strength distributions of the projectile.

  3. Structural Characterization of Native Proteins and Protein Complexes by Electron Ionization Dissociation-Mass Spectrometry.

    Science.gov (United States)

    Li, Huilin; Sheng, Yuewei; McGee, William; Cammarata, Michael; Holden, Dustin; Loo, Joseph A

    2017-03-07

    Mass spectrometry (MS) has played an increasingly important role in the identification and structural and functional characterization of proteins. In particular, the use of tandem mass spectrometry has afforded one of the most versatile methods to acquire structural information for proteins and protein complexes. The unique nature of electron capture dissociation (ECD) for cleaving protein backbone bonds while preserving noncovalent interactions has made it especially suitable for the study of native protein structures. However, the intra- and intermolecular interactions stabilized by hydrogen bonds and salt bridges can hinder the separation of fragments even with preactivation, which has become particularly problematic for the study of large macromolecular proteins and protein complexes. Here, we describe the capabilities of another activation method, 30 eV electron ionization dissociation (EID), for the top-down MS characterization of native protein-ligand and protein-protein complexes. Rich structural information that cannot be delivered by ECD can be generated by EID. EID allowed for the comparison of the gas-phase and the solution-phase structural stability and unfolding process of human carbonic anhydrase I (HCA-I). In addition, the EID fragmentation patterns reflect the structural similarities and differences among apo-, Zn-, and Cu,Zn-superoxide dismutase (SOD1) dimers. In particular, the structural changes due to Cu-binding and a point mutation (G41D) were revealed by EID-MS. The performance of EID was also compared to that of 193 nm ultraviolet photodissociation (UVPD), which allowed us to explore their qualitative similarities and differences as potential valuable tools for the MS study of native proteins and protein complexes.

  4. Neutrino Mass, Electron Capture and the Shake-off Contributions

    CERN Document Server

    Faessler, Amand; Simkovic, Fedor

    2016-01-01

    Electron capture can determine the electron neutrino mass, while the beta decay of Tritium measures the electron antineutrino mass and the neutrinoless double beta decay observes the Majorana neutrino mass. Electron capture e. g. on 163Ho plus bound electron to 163Dy* plus neutrino can determine the electron neutrino mass from the upper end of the decay spectrum of the excited Dy*, which is given by the Q-Value minus the neutrino mass. The Dy* states decay by X-ray and Auger electron emissions. The total decay energy is measured in a bolometer. These excitations have been studied by Robertson and by Faessler et al.. In addition the daughter atom Dy can also be excited by moving in the capture process one electron into the continuum. The escape of these continuum electrons is automatically included in the experimental bolometer spectrum. Recently a method developed by Intemann and Pollock was used by DeRujula and Lusignoli for a rough estimate of this shake-off process for "s" wave electrons in capture on 163H...

  5. Dissociating Goal-Directed and Stimulus-Driven Determinants in Attentional Capture

    Directory of Open Access Journals (Sweden)

    Louis K. H. Chan

    2011-05-01

    Full Text Available Although attentional capture is now a commonplace finding, the exact roles played by goal-directed and stimulus-driven determents remain elusive. An unsettled issue is on the relative contribution of attentional set and visual saliency. In the present study, we investigated this issue by mixing color and orientation search trials, so that distractors of either feature dimension fell into the current attentional set. In our test, color features were more salient. As a result, in orientation search, whereas a color distractor produced huge capture (109 ms, an orientation distractor produced moderate capture (50 ms. With color targets, distractors were not interfering. On one hand, these results reflect that relative salience of the target and the distractor is critical for producing capture; on the other hand, a huge capture size associated with a nontarget dimension feature is novel. Similar previous measurements, but without matching the attentional set, consistently report attentional capture of only 20-30 ms. This comparison shows the role played by attentional set. Taken together, we suggest that visual saliency determines search order, and sets the platform for capture. However, attentional dwell time on the distractor is determined by how much it matches the current attentional set, and in turn explains the capture size.

  6. HE-2+-H2 COLLISIONS - NONDISSOCIATIVE AND DISSOCIATIVE ONE-ELECTRON CAPTURE

    NARCIS (Netherlands)

    HOEKSTRA, R; FOLKERTS, HO; BEIJERS, JPM; MORGENSTERN, R; DEHEER, FJ

    1994-01-01

    Electron-redistribution processes in collisions of He-2+ ions on H-2 are studied for energies from 1 to 25 keV amu-1. One-electron capture and target excitation cross sections are determined by photon-emission spectroscopy. At energies exceeding approximately 5 keV amu-1 capture into excited states

  7. Dipole-Guided Electron Capture Causes Abnormal Dissociations of Phosphorylated Pentapeptides

    DEFF Research Database (Denmark)

    Moss, Christopher L.; Chung, Thomas W.; Wyer, Jean

    2011-01-01

    phosphoserine radical competitively eliminated phosphoric acid and H2PO4 radicals. A mechanism is proposed for this novel dissociation on the basis of a computational analysis of reaction pathways and transition states. Electronic structure theory calculations in combination with extensive molecular dynamics...... mapping of the potential energy surface provided structures for the precursor phosphopeptide dications. Electron attachment produces a multitude of low lying electronic states in charge-reduced ions that determine their reactivity in backbone dissociations and H- atom loss. The predominant loss of H atoms...... in ECD is explained by a distortion of the Rydberg orbital space by the strong dipolar field of the peptide dication framework. The dipolar field steers the incoming electron to preferentially attach to the positively charged arginine side chain to form guanidinium radicals and trigger...

  8. Evidence for a dissociation between the control of oculomotor capture and disengagement.

    Science.gov (United States)

    Born, Sabine; Kerzel, Dirk; Theeuwes, Jan

    2011-02-01

    The current study investigated whether capture of the eyes by a salient onset distractor and the disengagement of the eyes from that distractor are driven by the same or by different underlying control modes. A variant of the classic oculomotor capture task was used. Observers had to make a saccade to the only gray circle among red background circles. On some trials, a green (novel color), red (placeholder color) or gray (target color) distractor square was presented with sudden onset. Results showed that when participants reacted fast, oculomotor capture was primarily driven by bottom-up pop-out: both types of distractors (green and gray) that popped out among the red background elements showed more capture than a red distractor that did not pop-out. In contrast to initial capture, disengagement of the eyes from the distractor was driven by top-down target-distractor similarity effects. We also examined the time-course of this effect. The distractor could change from green to either the target or placeholder color. When the color change was early in time (30-40 ms after its onset), dwell times were strongly affected by the change, whereas the effect on oculomotor capture was weak. Importantly, a change occurring as early as 60-80 ms after distractor onset did neither affect capture nor dwell times, corroborating the assumption of parallel programming of saccades.

  9. Dissociation and ammonia mass transfer from ammonium solution and dairy cattle manure

    Science.gov (United States)

    Process-based models are being used to predict ammonia (NH**3) emissions from manure sources, but their accuracy has not been fully evaluated for cattle manure. Laboratory trials were conducted to measure the dissociation and mass transfer coefficient for NH**3 volatilization from media of buffered ...

  10. Low missing mass, single- and double diffraction dissociation at the LHC

    CERN Document Server

    Jenkovszky, Laszlo; Orava, Risto; Salii, Andrii

    2014-01-01

    Low missing mass, single- and double diffraction dissociation is calculated for the LHC energies from a dual-Regge model, dominated by a Pomeron Regge pole exchange. The model reproduces the rich resonance structure in the low missing mass Mx region. The diffractionly excited states lie on the nucleon trajectory, appended by the isolated Roper resonance. Detailed predictions for the squared momentum transfer and missing mass dependence of the differential and integrated single- and double diffraction dissociation in the kinematical range of present and future LHC measurements are given. The model predicts a possible turn-down of the cross section towards, t -> 0 in a region probably accessible in future experiments in the nearly forward direction. The present work is a continuation and extension (e.g. with double diffraction) of a previous work using the dual Regge approach.

  11. Improved Actinide Neutron Capture Cross Sections Using Accelerator Mass Spectrometry

    Science.gov (United States)

    Bauder, W.; Pardo, R. C.; Kondev, F. G.; Kondrashev, S.; Nair, C.; Nusair, O.; Palchan, T.; Scott, R.; Seweryniak, D.; Vondrasek, R.; Collon, P.; Paul, M.; Youinou, G.; Salvatores, M.; Palmotti, G.; Berg, J.; Maddock, T.; Imel, G.

    2014-09-01

    The MANTRA (Measurement of Actinide Neutron TRAnsmutations) project will improve energy-integrated neutron capture cross section data across the actinide region. These data are incorporated into nuclear reactor models and are an important piece in understanding Generation IV reactor designs. We will infer the capture cross sections by measuring isotopic ratios from actinide samples, irradiated in the Advanced Test Reactor at INL, with Accelerator Mass Spectrometry (AMS) at ATLAS (ANL). The superior sensitivity of AMS allows us to extract multiple cross sections from a single sample. In order to analyze the large number of samples needed for MANTRA and to meet the goal of extracting multiple cross sections per sample, we have made a number of modifications to the AMS setup at ATLAS. In particular, we are developing a technique to inject solid material into the ECR with laser ablation. With laser ablation, we can better control material injection and potentially increase efficiency in the ECR, thus creating less contamination in the source and reducing cross talk. I will present work on the laser ablation system and preliminary results from our AMS measurements. The MANTRA (Measurement of Actinide Neutron TRAnsmutations) project will improve energy-integrated neutron capture cross section data across the actinide region. These data are incorporated into nuclear reactor models and are an important piece in understanding Generation IV reactor designs. We will infer the capture cross sections by measuring isotopic ratios from actinide samples, irradiated in the Advanced Test Reactor at INL, with Accelerator Mass Spectrometry (AMS) at ATLAS (ANL). The superior sensitivity of AMS allows us to extract multiple cross sections from a single sample. In order to analyze the large number of samples needed for MANTRA and to meet the goal of extracting multiple cross sections per sample, we have made a number of modifications to the AMS setup at ATLAS. In particular, we are

  12. A study of resonance electron capture ionization on a quadrupole tandem mass spectrometer.

    Science.gov (United States)

    Wei, J; Liu, S; Fedoreyev, S A; Voinov, V G

    2000-01-01

    Procedures that allow the realization of resonance electron capture (REC) mode on a commercial triple-quadrupole mass spectrometer, after some simple modifications, are described. REC mass spectrometry (MS) and tandem mass spectrometry (MS/MS) experiments were performed and spectra for some compounds were recorded. In particular, the charge-remote fragmentation (CRF) spectra of [M - H](-) ions of docosanoic and docosenoic acids under low-energy collisionally activated dissociation (CAD) conditions were obtained, and showed that there were no significant differences for [M - H](-) ions produced at different resonances (i.e. for [M - H](-) ions with different structures). This observation was explained on the basis of results obtained from deuterium-labeled fatty acids, which showed that different CRF ions (but with the same m/z value in the absence of labels) could be produced by different mechanisms, and all of them were obviously realized under CAD conditions that made spectra practically indistinguishable. The other example, which compared the REC-MS/MS spectrum of [M - H](-) ions and EI-MS/MS spectrum of M(+.) ions of daidzein, demonstrated the potential of the REC-MS/MS technique for more complex structure elucidation.

  13. Collision-Induced Dissociation Mass Spectrometry: A Powerful Tool for Natural Product Structure Elucidation.

    Science.gov (United States)

    Johnson, Andrew R; Carlson, Erin E

    2015-11-01

    Mass spectrometry is a powerful tool in natural product structure elucidation, but our ability to directly correlate fragmentation spectra to these structures lags far behind similar efforts in peptide sequencing and proteomics. Often, manual data interpretation is required and our knowledge of the expected fragmentation patterns for many scaffolds is limited, further complicating analysis. Here, we summarize advances in natural product structure elucidation based upon the application of collision induced dissociation fragmentation mechanisms.

  14. Low Mass Printable Devices for Energy Capture, Storage, and Use

    Science.gov (United States)

    Frazier, Donald O.; Singer, Christopher E.; Rogers, Jan R.; Schramm, Harry F.; Fabisinski, Leo L.; Lowenthal, Mark; Ray, William J.; Fuller, Kirk A.

    2010-01-01

    The energy-efficient, environmentally friendly technology that will be presented is the result of a Space Act Agreement between NthDegree Technologies Worldwide, Inc., and the National Aeronautics and Space Administration's (NASA's) Marshall Space Flight Center (MSFC). The work combines semiconductor and printing technologies to advance lightweight electronic and photonic devices having excellent potential for commercial and exploration applications. Device development involves three projects that relate to energy generation and consumption: (1) a low-mass efficient (low power, low heat emission) micro light-emitting diode (LED) area lighting device; (2) a low-mass omni-directional efficient photovoltaic (PV) device with significantly improved energy capture; and (3) a new approach to building super-capacitors. These three technologies, energy capture, storage, and usage (e.g., lighting), represent a systematic approach for building efficient local micro-grids that are commercially feasible; furthermore, these same technologies, appropriately replacing lighting with lightweight power generation, will be useful for enabling inner planetary missions using smaller launch vehicles and to facilitate surface operations during lunar and planetary surface missions. The PV device model is a two sphere, light trapped sheet approximately 2-mm thick. The model suggests a significant improvement over current thin film systems. For lighting applications, all three technology components are printable in-line by printing sequential layers on a standard screen or flexographic direct impact press using the three-dimensional printing technique (3DFM) patented by NthDegree. One primary contribution to this work in the near term by the MSFC is to test the robustness of prototype devices in the harsh environments that prevail in space and on the lunar surface. It is anticipated that this composite device, of which the lighting component has passed off-gassing testing, will function

  15. Decoding Split and Pool Combinatorial Libraries with Electron-Transfer Dissociation Tandem Mass Spectrometry

    Science.gov (United States)

    Sarkar, Mohosin; Pascal, Bruce D.; Steckler, Caitlin; Aquino, Claudio; Micalizio, Glenn C.; Kodadek, Thomas; Chalmers, Michael J.

    2013-07-01

    Screening of bead-based split and pool combinatorial chemistry libraries is a powerful approach to aid the discovery of new chemical compounds able to interact with, and modulate the activities of, protein targets of interest. Split and pool synthesis provides for large and well diversified chemical libraries, in this case comprised of oligomers generated from a well-defined starting set. At the end of the synthesis, each bead in the library displays many copies of a unique oligomer sequence. Because the sequence of the oligomer is not known at the time of screening, methods for decoding of the sequence of each screening "hit" are essential. Here we describe an electron-transfer dissociation (ETD) based tandem mass spectrometry approach for the decoding of mass-encoded split and pool libraries. We demonstrate that the newly described "chiral oligomers of pentenoic amides (COPAs)" yield non-sequence-specific product ions upon collisional activated dissociation; however, complete sequence information can be obtained with ETD. To aid in the decoding of libraries from MS and MS/MS data, we have incorporated 79Br/81Br isotope "tags" to differentiate N- and C-terminal product ions. In addition, we have created "Hit-Find," a software program that allows users to generate libraries in silico . The user can then search all possible members of the chemical library for those that fall within a user-defined mass error.

  16. Global proteomic profiling of phosphopeptides using electron transfer dissociation tandem mass spectrometry

    DEFF Research Database (Denmark)

    Molina, Henrik; Horn, David M; Tang, Ning;

    2007-01-01

    Electron transfer dissociation (ETD) is a recently introduced mass spectrometric technique that provides a more comprehensive coverage of peptide sequences and posttranslational modifications. Here, we evaluated the use of ETD for a global phosphoproteome analysis. In all, we identified a total...... fragment ions that facilitated localization of phosphorylation sites. Although our data indicate that ETD is superior to CID for phosphorylation analysis, the two methods can be effectively combined in alternating ETD and CID modes for a more comprehensive analysis. Combining ETD and CID, from this single...

  17. Multivariate analysis of electron detachment dissociation and infrared multiphoton dissociation mass spectra of heparan sulfate tetrasaccharides differing only in hexuronic acid stereochemistry.

    Science.gov (United States)

    Oh, Han Bin; Leach, Franklin E; Arungundram, Sailaja; Al-Mafraji, Kanar; Venot, Andre; Boons, Geert-Jan; Amster, I Jonathan

    2011-03-01

    The structural characterization of glycosaminoglycan (GAG) carbohydrates by mass spectrometry has been a long-standing analytical challenge due to the inherent heterogeneity of these biomolecules, specifically polydispersity, variability in sulfation, and hexuronic acid stereochemistry. Recent advances in tandem mass spectrometry methods employing threshold and electron-based ion activation have resulted in the ability to determine the location of the labile sulfate modification as well as assign the stereochemistry of hexuronic acid residues. To facilitate the analysis of complex electron detachment dissociation (EDD) spectra, principal component analysis (PCA) is employed to differentiate the hexuronic acid stereochemistry of four synthetic GAG epimers whose EDD spectra are nearly identical upon visual inspection. For comparison, PCA is also applied to infrared multiphoton dissociation spectra (IRMPD) of the examined epimers. To assess the applicability of multivariate methods in GAG mixture analysis, PCA is utilized to identify the relative content of two epimers in a binary mixture.

  18. Identifying Ca2+-Binding Sites in Proteins by Liquid Chromatography-Mass Spectrometry Using Ca2+-Directed Dissociations

    NARCIS (Netherlands)

    Jamalian, Azadeh; Sneekes, Evert-Jan; Wienk, Hans; Dekker, Lennard J. M.; Ruttink, Paul J. A.; Ursem, Mario; Luider, Theo M.; Burgers, Peter C.

    2014-01-01

    Here we describe a new method to identify calcium-binding sites in proteins using high-resolution liquid chromatography-mass spectrometry in concert with calcium-directed collision-induced dissociations. Our method does not require any modifications to the liquid chromatography-mass spectrometry app

  19. Gas-phase doubly charged complexes of cyclic peptides with copper in +1, +2 and +3 formal oxidation states: formation, structures and electron capture dissociation.

    Science.gov (United States)

    Afonso, Carlos; Tabet, Jean-Claude; Giorgi, Gianluca; Tureček, František

    2012-02-01

    Copper complexes with a cyclic D-His-β-Ala-L-His-L-Lys and all-L-His-β-Ala-His-Lys peptides were generated by electrospray which were doubly charged ions that had different formal oxidation states of Cu(I), Cu(II) and Cu(III) and different protonation states of the peptide ligands. Electron capture dissociation showed no substantial differences between the D-His and L-His complexes. All complexes underwent peptide cross-ring cleavages upon electron capture. The modes of ring cleavage depended on the formal oxidation state of the Cu ion and peptide protonation. Density functional theory (DFT) calculations, using the B3LYP with an effective core potential at Cu and M06-2X functionals, identified several precursor ion structures in which the Cu ion was threecoordinated to pentacoordinated by the His and Lys side-chain groups and the peptide amide or enolimine groups. The electronic structure of the formally Cu(III) complexes pointed to an effective Cu(I) oxidation state with the other charge residing in the peptide ligand. The relative energies of isomeric complexes of the [Cu(c-HAHK + H)](2+) and [Cu(c-HAHK - H)](2+) type with closed electronic shells followed similar orders when treated by the B3LYP and M06-2X functionals. Large differences between relative energies calculated by these methods were obtained for open-shell complexes of the [Cu(c-HAHK)](2+) type. Charge reduction resulted in lowering the coordination numbers for some Cu complexes that depended on the singlet or triplet spin state being formed. For [Cu(c-HAHK - H)](2+) complexes, solution H/D exchange involved only the N-H protons, resulting in the exchange of up to seven protons, as established by ultra-high mass resolution measurements. Contrasting the experiments, DFT calculations found the lowest energy structures for the gas-phase ions that were deprotonated at the peptide C(α) positions.

  20. Reduction in database search space by utilization of amino acid composition information from electron transfer dissociation and higher-energy collisional dissociation mass spectra.

    Science.gov (United States)

    Hansen, Thomas A; Kryuchkov, Fedor; Kjeldsen, Frank

    2012-08-07

    With high-mass accuracy and consecutively obtained electron transfer dissociation (ETD) and higher-energy collisional dissociation (HCD) tandem mass spectrometry (MS/MS), reliable (≥97%) and sensitive fragment ions have been extracted for identification of specific amino acid residues in peptide sequences. The analytical benefit of these specific amino acid composition (AAC) ions is to restrict the database search space and provide identification of peptides with higher confidence and reduced false negative rates. The 6706 uniquely identified peptide sequences determined with a conservative Mascot score of >30 were used to characterize the AAC ions. The loss of amino acid side chains (small neutral losses, SNLs) from the charge reduced peptide radical cations was studied using ETD. Complementary AAC information from HCD spectra was provided by immonium ions. From the ETD/HCD mass spectra, 5162 and 6720 reliable SNLs and immonium ions were successfully extracted, respectively. Automated application of the AAC information during database searching resulted in an average 3.5-fold higher confidence level of peptide identification. In addition, 4% and 28% more peptides were identified above the significance level in a standard and extended search space, respectively.

  1. Method and apparatus for enhanced sequencing of complex molecules using surface-induced dissociation in conjunction with mass spectrometric analysis

    Science.gov (United States)

    Laskin, Julia [Richland, WA; Futrell, Jean H [Richland, WA

    2008-04-29

    The invention relates to a method and apparatus for enhanced sequencing of complex molecules using surface-induced dissociation (SID) in conjunction with mass spectrometric analysis. Results demonstrate formation of a wide distribution of structure-specific fragments having wide sequence coverage useful for sequencing and identifying the complex molecules.

  2. Characterization of smokeless powders using multiplexed collision-induced dissociation mass spectrometry and chemometric procedures.

    Science.gov (United States)

    Reese, Kristen L; Jones, A Daniel; Smith, Ruth Waddell

    2017-03-01

    This work demonstrates a non-targeted mass spectrometry approach for identification of organic compounds in smokeless powders. Unburned powders were removed from various commercial ammunitions of different brand, primer composition, caliber, and age. The unburned powders and corresponding fired residues were analyzed by liquid chromatography-atmospheric pressure chemical ionization-time-of-flight mass spectrometry (LC-APCI-TOFMS). Multiplexed collision-induced dissociation was performed at increasing collision potentials resulting in successive fragmentation that provided structural information for compound identification in a non-targeted manner. Nine compounds were identified in the powders, including akardite II, ethyl centralite, diphenylamine, N-nitrosodiphenylamine, and dibutyl phthalate. Multivariate statistical procedures were performed to first investigate association and discrimination of the unburned powders. Principal components analysis (PCA) of the chemical profiles suggested nine distinct groups of powders, according to the dominant organic compounds present. The clusters formed in hierarchical cluster analysis (HCA) were mostly in agreement with PCA groupings although HCA provided a metric to quantify the similarity. Finally, association of the fired residue to the corresponding unburned powder was possible although the success was highly dependent on the composition of the unburned powder and the extent of compound depletion as a result of firing.

  3. Search for new candidates for the neutrino-oriented mass determination by electron-capture

    CERN Multimedia

    Herfurth, F; Boehm, C; Blaum, K; Beck, D

    2008-01-01

    This proposal is part of an extended program dedicated to the neutrino-mass determination in the electron-capture sector, which aims at ultra-precise mass measurements by Penning traps in combination with cryogenic micro-calorimetry for atomic de-excitation measurements. Here, precise mass measurements with ISOLTRAP are proposed for the orbital electron-capture nuclides $^{194}$Hg and $^{202}$Pb, as well as their daughters, with the goal to determine accurately their Q-values. These values are expected to be the smallest ones among a great variety of known electron-capture precursors. Therefore, these nuclides are strong candidates for an improved electron-neutrino mass determination. We ask for 8 shifts of on-line beam at ISOLDE for mass measurements of $^{194}$Hg, $^{194}$ Au, $^{202}$Pb, and $^{202}$Tl at ISOLTRAP.

  4. CO2 hydrate formation and dissociation in cooled porous media: a potential technology for CO2 capture and storage.

    Science.gov (United States)

    Yang, Mingjun; Song, Yongchen; Jiang, Lanlan; Zhu, Ningjun; Liu, Yu; Zhao, Yuechao; Dou, Binlin; Li, Qingping

    2013-09-03

    The purpose of this study was to investigate the hydrate formation and dissociation with CO2 flowing through cooled porous media at different flow rates, pressures, temperatures, and flow directions. CO2 hydrate saturation was quantified using the mean intensity of water. The experimental results showed that the hydrate block appeared frequently, and it could be avoided by stopping CO2 flooding early. Hydrate formed rapidly as the temperature was set to 274.15 or 275.15 K, but the hydrate formation delayed when it was 276.15 K. The flow rate was an important parameter for hydrate formation; a too high or too low rate was not suitable for CO2 hydration formation. A low operating pressure was also unacceptable. The gravity made hydrate form easily in the vertically upward flow direction. The pore water of the second cycle converted to hydrate more completely than that of the first cycle, which was a proof of the hydrate "memory effect". When the pressure was equal to atmospheric pressure, hydrate did not dissociate rapidly and abundantly, and a long time or reduplicate depressurization should be used in industrial application.

  5. Dissociation dynamics of methylal

    Energy Technology Data Exchange (ETDEWEB)

    Beaud, P.; Frey, H.-M.; Gerber, T.; Mischler, B.; Radi, P.P.; Tzannis, A.-P. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    The dissociation of methylal is investigated using mass spectrometry, combined with a pyrolytic radical source and femtosecond pump probe experiments. Based on preliminary results two reaction paths of methylal dissociation are proposed and discussed. (author) 4 fig., 3 refs.

  6. Identification of isomers and control of ionization and dissociation processes using dual-mass-spectrometer scheme and genetic algorithm optimization

    Institute of Scientific and Technical Information of China (English)

    陈洲; 佟秋男; 张丛丛; 胡湛

    2015-01-01

    Identification of acetone and its two isomers, and the control of their ionization and dissociation processes are per-formed using a dual-mass-spectrometer scheme. The scheme employs two sets of time of flight mass spectrometers to simultaneously acquire the mass spectra of two different molecules under the irradiation of identically shaped femtosecond laser pulses. The optimal laser pulses are found using closed-loop learning method based on a genetic algorithm. Com-pared with the mass spectra of the two isomers that are obtained with the transform limited pulse, those obtained under the irradiation of the optimal laser pulse show large differences and the various reaction pathways of the two molecules are selectively controlled. The experimental results demonstrate that the scheme is quite effective and useful in studies of two molecules having common mass peaks, which makes a traditional single mass spectrometer unfeasible.

  7. Laser Ablation with Vacuum Capture for MALDI Mass Spectrometry of Tissue

    Science.gov (United States)

    Donnarumma, Fabrizio; Cao, Fan; Murray, Kermit K.

    2016-01-01

    We have developed a laser ablation sampling technique for matrix-assisted laser desorption ionization (MALDI) mass spectrometry and tandem mass spectrometry (MS/MS) analyses of in-situ digested tissue proteins. Infrared laser ablation was used to remove biomolecules from tissue sections for collection by vacuum capture and analysis by MALDI. Ablation and transfer of compounds from tissue removes biomolecules from the tissue and allows further analysis of the collected material to facilitate their identification. Laser ablated material was captured in a vacuum aspirated pipette-tip packed with C18 stationary phase and the captured material was dissolved, eluted, and analyzed by MALDI. Rat brain and lung tissue sections 10 μm thick were processed by in-situ trypsin digestion after lipid and salt removal. The tryptic peptides were ablated with a focused mid-infrared laser, vacuum captured, and eluted with an acetonitrile/water mixture. Eluted components were deposited on a MALDI target and mixed with matrix for mass spectrometry analysis. Initial experiments were conducted with peptide and protein standards for evaluation of transfer efficiency: a transfer efficiency of 16% was obtained using seven different standards. Laser ablation vacuum capture was applied to freshly digested tissue sections and compared with sections processed with conventional MALDI imaging. A greater signal intensity and lower background was observed in comparison with the conventional MALDI analysis. Tandem time-of-flight MALDI mass spectrometry was used for compound identification in the tissue.

  8. Automated and high confidence protein phosphorylation site localization using complementary collision-activated dissociation and electron transfer dissociation tandem mass spectrometry

    DEFF Research Database (Denmark)

    Hansen, Thomas A; Sylvester, Marc; Jensen, Ole N;

    2012-01-01

    -activated dissociation and electron transfer dissociation, an approach termed the Cscore. The scoring algorithm used in the Cscore was adapted from the widely used Ascore method. The analytical benefit of integrating the product ion information of both ETD and CAD data are evident by increased confidence in phospho...

  9. Fragmentation study of iridoid glucosides through positive and negative electrospray ionization, collision-induced dissociation and tandem mass spectrometry.

    Science.gov (United States)

    Es-Safi, Nour-Eddine; Kerhoas, Lucien; Ducrot, Paul-Henri

    2007-01-01

    Mass spectrometric methodology based on the combined use of positive and negative electrospray ionization, collision-induced dissociation (CID) and tandem mass spectrometry (MS/MS) has been applied to the mass spectral study of a series of six naturally occurring iridoids through in-source fragmentation of the protonated [M+H]+, deprotonated [M--H]- and sodiated [M+Na]+ ions. This led to the unambiguous determination of the molecular masses of the studied compounds and allowed CID spectra of the molecular ions to be obtained. Valuable structural information regarding the nature of both the glycoside and the aglycone moiety was thus obtained. Glycosidic cleavage and ring cleavages of both aglycone and sugar moieties were the major fragmentation pathways observed during CID, where the losses of small molecules, the cinnamoyl and the cinnamate parts were also observed. The formation of the ionized aglycones, sugars and their product ions was thus obtained giving information on their basic skeleton. The protonated, i.e. [M+H]+ and deprotonated [M--H]-, ions were found to fragment mainly by glycosidic cleavages. MS/MS spectra of the [M+Na]+ ions gave complementary information for the structural characterization of the studied compounds. Unlike the dissociation of protonated molecular ions, that of sodiated molecules also provided sodiated sugar fragments where the C0+ fragment corresponding to the glucose ion was obtained as base peak for all the studied compounds.

  10. Radiative proton capture cross sections in the mass range $40-55$

    CERN Document Server

    Chakraborty, Dipti; Gangopadhyay, G; Bhattacharyya, Abhijit

    2016-01-01

    Proton capture cross sections in the energy range of astrophysical interest for mass region 40-54 have been calculated in the Hauser-Feshbach formalism with reaction code TALYS1.6. The density dependent M3Y effective nucleon-nucleon interaction folded with target radial matter densities from relativistic mean field approach is used to obtain the semi-microscopic optical potential. A definite normalization of potential-well depths has been used over the entire mass region. The $(p,\\gamma)$ rates of some reactions, important in the astrophysical scenario, are calculated using the potential in the relevant mass region.

  11. Investigation of the Mechanism of Electron Capture and Electron Transfer Dissociation of Peptides with a Covalently Attached Free Radical Hydrogen Atom Scavenger.

    Science.gov (United States)

    Sohn, Chang Ho; Yin, Sheng; Peng, Ivory; Loo, Joseph A; Beauchamp, J L

    2015-11-15

    The mechanisms of electron capture and electron transfer dissociation (ECD and ETD) are investigated by covalently attaching a free-radical hydrogen atom scavenger to a peptide. The 2,2,6,6-tetramethylpiperidin-l-oxyl (TEMPO) radical was chosen as the scavenger due to its high hydrogen atom affinity (ca. 280 kJ/mol) and low electron affinity (ca. 0.45 ev), and was derivatized to the model peptide, FQX(TEMPO)EEQQQTEDELQDK. The X(TEMPO) residue represents a cysteinyl residue derivatized with an acetamido-TEMPO group. The acetamide group without TEMPO was also examined as a control. The gas phase proton affinity (882 kJ/mol) of TEMPO is similar to backbone amide carbonyls (889 kJ/mol), minimizing perturbation to internal solvation and sites of protonation of the derivatized peptides. Collision induced dissociation (CID) of the TEMPO tagged peptide dication generated stable odd-electron b and y type ions without indication of any TEMPO radical induced fragmentation initiated by hydrogen abstraction. The type and abundance of fragment ions observed in the CID spectra of the TEMPO and acetamide tagged peptides are very similar. However, ECD of the TEMPO labeled peptide dication yielded no backbone cleavage. We propose that a labile hydrogen atom in the charge reduced radical ions is scavenged by the TEMPO radical moiety, resulting in inhibition of N-Cα backbone cleavage processes. Supplemental activation after electron attachment (ETcaD) and CID of the charge-reduced precursor ion generated by electron transfer of the TEMPO tagged peptide dication produced a series of b + H (b(H)) and y + H (y(H)) ions along with some c ions having suppressed intensities, consistent with stable O-H bond formation at the TEMPO group. In summary, the results indicate that ECD and ETD backbone cleavage processes are inhibited by scavenging of a labile hydrogen atom by the localized TEMPO radical moiety. This observation supports the conjecture that ECD and ETD processes involve long

  12. Radio frequency plasma polymer coatings for affinity capture MALDI mass spectrometry.

    Science.gov (United States)

    Li, Meiling; Timmons, Richard B; Kinsel, Gary R

    2005-01-01

    Surface modification of MALDI probes is an attractive approach for combining bioaffinity isolation of targeted biomolecules with mass spectrometric analysis of the captured species. In this work, we demonstrate that a polymer thin film, produced by pulsed rf plasma polymerization of allylamine and deposited directly on a MALDI probe, can be subsequently biotinylated to develop a bioaffinity capture MALDI probe. The synthesis and characterization of the probe by XPS, FT-IR, and AFM is described, and the selective isolation of avidin from a three-component mixture of avidin, lysozyme, and cytochrome c is presented. These initial results offer encouragement for the further exploration of rf plasma polymer deposition as a novel approach for the development of on-probe affinity capture MALDI probes.

  13. Surface-Induced Dissociation of Protein Complexes in a Hybrid Fourier Transform Ion Cyclotron Resonance Mass Spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Jing; Zhou, Mowei; Gilbert, Joshua D.; Wolff, Jeremy J.; Somogyi, Árpád; Pedder, Randall E.; Quintyn, Royston S.; Morrison, Lindsay J.; Easterling, Michael L.; Paša-Tolić, Ljiljana; Wysocki, Vicki H.

    2017-01-03

    Mass spectrometry continues to develop as a valuable tool in the analysis of proteins and protein complexes. In protein complex mass spectrometry studies, surface-induced dissociation (SID) has been successfully applied in quadrupole time-of-flight (Q-TOF) instruments. SID provides structural information on non-covalent protein complexes that is complementary to other techniques. However, the mass resolution of Q-TOF instruments can limit the information that can be obtained for protein complexes by SID. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) provides ultrahigh resolution and ultrahigh mass accuracy measurements. In this study, an SID device was designed and successfully installed in a hybrid FT-ICR instrument in place of the standard gas collision cell. The SID-FT-ICR platform has been tested with several protein complex systems (homooligomers, a heterooligomer, and a protein-ligand complex, ranging from 53 kDa to 85 kDa), and the results are consistent with data previously acquired on Q-TOF platforms, matching predictions from known protein interface information. SID fragments with the same m/z but different charge states are well-resolved based on distinct spacing between adjacent isotope peaks, and the addition of metal cations and ligands can also be isotopically resolved with the ultrahigh mass resolution available in FT-ICR.

  14. Electron Capture in 163Ho and Overlap plus Exchange Corrections and the Neutrino Mass

    CERN Document Server

    Faessler, Amand; Simkovic, M F

    2014-01-01

    Holmium offers perhaps the best chance to determine the neutrino mass by electron capture. This contribution treats the electron capture in 163Holmium completely relativistic for the overlap and exchange corrections. The theoretical expressions are derived consistently in second quantisation with the help of Wick's theorem assuming single Slater determinants for the initial Ho and the final Dy atoms with holes in the final ns1/2 and np1/2 states. No hand waving arguments are needed to derive the exchange terms. It seems, that for the first time the multiplicity of electrons in the orbital overlaps are included in the numerical treatment. Electron capture e + p --> n + neutrino is proportional to the probability to find the captured electron in the parent atom at the nucleus. Non-relativistically this is only possible for ns1/2 electron states. Relativistically also p1/2 electrons have a probability to be at the nucleus due to the lower part of the relativistic electron spinor, which does not disappear at the ...

  15. Heat and mass transfer rates during flow of dissociated hydrogen gas over graphite surface

    Science.gov (United States)

    Nema, V. K.; Sharma, O. P.

    1986-01-01

    To improve upon the performance of chemical rockets, the nuclear reactor has been applied to a rocket propulsion system using hydrogen gas as working fluid and a graphite-composite forming a part of the structure. Under the boundary layer approximation, theoretical predictions of skin friction coefficient, surface heat transfer rate and surface regression rate have been made for laminar/turbulent dissociated hydrogen gas flowing over a flat graphite surface. The external stream is assumed to be frozen. The analysis is restricted to Mach numbers low enough to deal with the situation of only surface-reaction between hydrogen and graphite. Empirical correlations of displacement thickness, local skin friction coefficient, local Nusselt number and local non-dimensional heat transfer rate have been obtained. The magnitude of the surface regression rate is found low enough to ensure the use of graphite as a linear or a component of the system over an extended period without loss of performance.

  16. Charge Transfer Dissociation (CTD) Mass Spectrometry of Peptide Cations: Study of Charge State Effects and Side-Chain Losses

    Science.gov (United States)

    Li, Pengfei; Jackson, Glen P.

    2017-01-01

    1+, 2+, and 3+ precursors of substance P and bradykinin were subjected to helium cation irradiation in a 3D ion trap mass spectrometer. Charge exchange with the helium cations produces a variety of fragment ions, the number and type of which are dependent on the charge state of the precursor ions. For 1+ peptide precursors, fragmentation is generally restricted to C-CO backbone bonds (a and x ions), whereas for 2+ and 3+ peptide precursors, all three backbone bonds (C-CO, C-N, and N-Cα) are cleaved. The type of backbone bond cleavage is indicative of possible dissociation channels involved in CTD process, including high-energy, kinetic-based, and ETD-like pathways. In addition to backbone cleavages, amino acid side-chain cleavages are observed in CTD, which are consistent with other high-energy and radical-mediated techniques. The unique dissociation pattern and supplementary information available from side-chain cleavages make CTD a potentially useful activation method for the structural study of gas-phase biomolecules.

  17. Enrichment and Analysis of Nonenzymatically Glycated Peptides: Boronate Affinity Chromatography Coupled with Electron-Transfer Dissociation Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Qibin; Tang, Ning; Brock, Jonathan W.; Mottaz, Heather M.; Ames, Jennifer M.; Baynes, John; Smith, Richard D.; Metz, Thomas O.

    2007-06-01

    Non-enzymatic glycation of peptides and proteins by D-glucose has important implications in the pathogenesis of diabetes mellitus, particularly in the development of diabetic complications. However, no effective high-throughput methods exist for identifying proteins containing this low abundance post-translational modification in bottom-up proteomic studies. In this report, phenylboronate affinity chromatography was used in a two-step enrichment scheme to selectively isolate first glycated proteins and then glycated, tryptic peptides from human serum glycated in vitro. Enriched peptides were subsequently analyzed by alternating electron transfer dissociation (ETD) and collision induced dissociation (CID) tandem mass spectrometry. It was observed that ETD fragmentation mode resulted in a significantly higher number of glycated peptide identifications (87.6% of all identified peptides) versus CID mode (17.0% of all identified peptides), when utilizing dual glycation enrichment on both the protein and peptide level. This study illustrates that phenylboronate affinity chromatography coupled with LC-MS/MS with ETD as the fragmentation mode is an efficient approach for analyses of glycated proteins and can have broad applications in studies of diabetes mellitus.

  18. Resonance activation and collision-induced-dissociation of ions using rectangular wave dipolar potentials in a digital ion trap mass spectrometer.

    Science.gov (United States)

    Xu, Fuxing; Wang, Liang; Dai, Xinhua; Fang, Xiang; Ding, Chuan-Fan

    2014-04-01

    Collision-induced dissociation (CID) of ions by resonance activation in a quadrupole ion trap is usually accomplished by resonance exciting the ions to higher kinetic energy, whereby the high kinetic energy ions collide with a bath gas, such as helium or argon, inside the trap and dissociate to fragments. A new ion activation method using a well-defined rectangular wave dipolar potential formed by dividing down the trapping rectangular waveform is developed and examined herein. The mass-selected parent ions are resonance excited to high kinetic energies by simply changing the frequency of the rectangular wave dipolar potential and dissociation proceeds. A relationship between the ion mass and the activation waveform frequency is also identified and described. This highly efficient (CID) procedure can be realized by simply changing the waveform frequency of the dipolar potential, which could certainly simplify tandem mass spectrometry analysis methods.

  19. Fully Automated Laser Ablation Liquid Capture Sample Analysis using NanoElectrospray Ionization Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Lorenz, Matthias [ORNL; Ovchinnikova, Olga S [ORNL; Van Berkel, Gary J [ORNL

    2014-01-01

    RATIONALE: Laser ablation provides for the possibility of sampling a large variety of surfaces with high spatial resolution. This type of sampling when employed in conjunction with liquid capture followed by nanoelectrospray ionization provides the opportunity for sensitive and prolonged interrogation of samples by mass spectrometry as well as the ability to analyze surfaces not amenable to direct liquid extraction. METHODS: A fully automated, reflection geometry, laser ablation liquid capture spot sampling system was achieved by incorporating appropriate laser fiber optics and a focusing lens into a commercially available, liquid extraction surface analysis (LESA ) ready Advion TriVersa NanoMate system. RESULTS: Under optimized conditions about 10% of laser ablated material could be captured in a droplet positioned vertically over the ablation region using the NanoMate robot controlled pipette. The sampling spot size area with this laser ablation liquid capture surface analysis (LA/LCSA) mode of operation (typically about 120 m x 160 m) was approximately 50 times smaller than that achievable by direct liquid extraction using LESA (ca. 1 mm diameter liquid extraction spot). The set-up was successfully applied for the analysis of ink on glass and paper as well as the endogenous components in Alstroemeria Yellow King flower petals. In a second mode of operation with a comparable sampling spot size, termed laser ablation/LESA , the laser system was used to drill through, penetrate, or otherwise expose material beneath a solvent resistant surface. Once drilled, LESA was effective in sampling soluble material exposed at that location on the surface. CONCLUSIONS: Incorporating the capability for different laser ablation liquid capture spot sampling modes of operation into a LESA ready Advion TriVersa NanoMate enhanced the spot sampling spatial resolution of this device and broadened the surface types amenable to analysis to include absorbent and solvent resistant

  20. Determination of the Electron Neutrino Mass from Experiments on Electron-Capture Beta-Decay (EC)

    CERN Multimedia

    2002-01-01

    The aim of the programme is to measure the electron-neutrino mass, for which at present an upper limit of 500~eV is known. \\\\ \\\\ The experiment studies the shape of the internal bremsstrahlung spectrum in electron-capture near its upper end-point and deduces a mass from small shape changes completely analogous to those in the well-known determination of the electron antineutrino mass in the tritium beta-minus decay. \\\\ \\\\ In a low-energy bremsstrahlung process, the capture takes place from a virtual S state associated with a radiative P~@A~S electromagnetic transition, and the resonant nature of the process leads to important enhancements of the photon intensities at low energy, in particular near the resonance energies co (X-rays). This effect gives this type of experiment a chance to compete with experiments on continuous beta spectra. \\\\ \\\\ The programme concentrates on two long-lived isotopes: \\\\ \\\\ 1)~~|1|6|3Ho. The Q value for this isotope has been found to be 2.6-2.7 keV. A detector specially construct...

  1. Ultraluminous X-ray Sources as Intermediate Mass Black Holes Fed by Tidally Captured Stars

    CERN Document Server

    Hopman, C; Alexander, T; Hopman, Clovis; Zwart, Simon F. Portegies; Alexander, Tal

    2004-01-01

    The nature of ultraluminous X-ray sources (ULXs) is presently unknown. A possible explanation is that they are accreting intermediate mass black holes (IBHs) that are fed by Roche lobe overflow from a tidally captured stellar companion. We show that a star can circularize around an IBH without being destroyed by tidal heating (in contrast to the case of M_bh> 10^6 M_sun massive black holes in galactic centers, where survival is unlikely). We find that the capture and circularization rate is of the order of 5 \\times 10^-8 yr^-1, almost independently of the cluster's relaxation time. We follow the luminosity evolution of the binary system during the main sequence Roche lobe overflow phase and show it can maintain ULX-like luminosities for >10 Myr. In particular, we show that the ULX in the young cluster MGG-11 in star-burst galaxy M82, which possibly harbors an IBH, is well explained by this mechanism, and we predict that \\gtrsim 10% of similar clusters with IBHs have a tidally captured circularized star. The c...

  2. Structural analysis of ruthenium-arene complexes using ion mobility mass spectrometry, collision-induced dissociation, and DFT.

    Science.gov (United States)

    Czerwinska, Izabella; Far, Johann; Kune, Christopher; Larriba-Andaluz, Carlos; Delaude, Lionel; De Pauw, Edwin

    2016-04-21

    Ion mobility mass spectrometry (IM-MS) and collision-induced dissociation (CID) techniques were used to investigate the influence of the phosphine ligand on the physicochemical properties of [RuCl2(p-cymene)(PCy3)] (), [RuCl2(p-cymene)(PPh3)] (), and [RuCl2(p-cymene)(PTA)] () in the gas phase (PTA is 1,3,5-triaza-7-phosphaadamantane). Electrospray ionization of complexes and led to the corresponding [RuCl(p-cymene)(PR3)](+) ions via the dissociation of a chlorido ligand, whereas RAPTA-C () afforded two molecular ions by in-source oxidation ([Ru(III)Cl2(p-cymene)(PTA)](+)) or protonation ([RuCl2(p-cymene)(PTA+H)](+)). Control experiments showed that the balance between these two ionization paths was strongly influenced by the nature of the solvent used for infusion. Collision cross sections (CCSs) of the four molecular ions accurately reflected the variations of steric bulk inferred from the Tolman steric parameters (θ) of the phosphine ligands. Moreover, DFT calculations combined with a model based on the kinetic theory of gases (the trajectory method of the IMoS software) afforded reliable CCS predictions. The almost two times higher dipole moment of [RuCl2(p-cymene)(PTA+H)](+) (μ = 13.75 D) compared to [Ru(III)Cl2(p-cymene)(PTA)](+) (μ = 7.18 D) was held responsible for increased ion-induced dipole interactions with a polarizable drift gas such as N2. Further experiments with He and CO2 confirmed that increasing the polarizability of the buffer gas improved the separation between the two molecular ions derived from complex . The fragmentation patterns of complexes were determined by CID. The sequence of collision voltages at which 50% of a precursor ion dissociates (V50) recorded for the molecular ions derived from compounds was in good agreement with simple electronic considerations based on the donor strength of the phosphine ligand. Thus, the CCS and V50 parameters used to determine the shape and stability of ionic species in the gas phase are complementary

  3. Sites involved in intra- and interdomain allostery associated with the activation of factor VIIa pinpointed by hydrogen-deuterium exchange and electron transfer dissociation mass spectrometry

    DEFF Research Database (Denmark)

    Song, Hongjian; Olsen, Ole H; Persson, Egon;

    2014-01-01

    enhancement remain elusive. Here we have applied hydrogen/deuterium exchange mass spectrometry coupled to electron transfer dissociation to pinpoint individual residues in the heavy chain of FVIIa whose conformation and/or local interaction pattern changes when the enzyme transitions to the active form...

  4. Protein hydrogen exchange measured at single-residue resolution by electron transfer dissociation mass spectrometry

    DEFF Research Database (Denmark)

    Rand, Kasper D; Zehl, Martin; Jensen, Ole Nørregaard

    2009-01-01

    Because of unparalleled sensitivity and tolerance to protein size, mass spectrometry (MS) has become a popular method for measuring the solution hydrogen (1H/2H) exchange (HX) of biologically relevant protein states. While incorporated deuterium can be localized to different regions by pepsin...... the HX of individual amide linkages in the amyloidogenic protein beta2-microglobulin. A comparison of the deuterium levels of 60 individual backbone amides of beta2-microglobulin measured by HX-ETD-MS analysis to the corresponding values measured by NMR spectroscopy shows an excellent correlation......-phase hydrogen (1H/2H) migration (i.e., hydrogen scrambling). This article demonstrates that ETD can be implemented in a mass spectrometric method to monitor the conformational dynamics of proteins in solution at single-residue resolution....

  5. GDP-capture compound--a novel tool for the profiling of GTPases in pro- and eukaryotes by capture compound mass spectrometry (CCMS).

    Science.gov (United States)

    Luo, Yan; Fischer, Jenny J; Baessler, Olivia Y Graebner Neé; Schrey, Anna K; Ungewiss, Jan; Glinski, Mirko; Sefkow, Michael; Dreger, Mathias; Koester, Hubert

    2010-02-10

    The functional isolation of proteome subsets based on small molecule-protein interactions is an increasingly popular and promising field in functional proteomics. Entire protein families may be profiled on the basis of their common interaction with a metabolite or small molecule inhibitor. This is enabled by novel multifunctional small molecule probes. One platform approach in this field are Capture Compounds that contain a small molecule of interest to bind target proteins, a photo-activatable reactivity function to covalently trap bound proteins, and a sorting function to isolate Capture Compound-protein conjugates from complex biological samples for direct trypsinisation and protein identification by liquid chromatography/mass spectrometry (CCMS). We here present the synthesis and application of a novel GDP-Capture Compound for the functional enrichment of GTPases, a pivotal protein family that exerts key functions in signal transduction. We present data from CCMS experiments on two biological lysates from Escherichia coli and from human-derived Hek293 cells. The GDP-Capture Compound robustly captures a wide range of different GTPases from both systems and will be a valuable tool for the proteomic profiling of this important protein family.

  6. Low Mass Printable Devices for Energy Capture, Storage, and Use for Space Exploration Missions

    Science.gov (United States)

    Frazier, Donald O.; Singer, Christopher E.; Ray, William J.; Fuller, Kirk A.

    2010-01-01

    The energy-efficient, environmentally friendly technology that will be presented is the result of a Space Act Agreement between -Technologies Worldwide, Inc., and the National Aeronautics and Space Administration s (NASA s) Marshall Space Flight Center (MSFC). This work combines semiconductor and printing technologies to advance lightweight electronic and photonic devices having excellent potential for commercial and exploration applications, and is an example of industry and government cooperation that leads to novel inventions. Device development involves three energy generation and consumption projects: 1) a low mass efficient (low power, low heat emission) micro light-emitting diode (LED) area lighting device; 2) a low-mass omni-directional efficient photovoltaic (PV) device with significantly improved energy capture; and 3) a new approach to building supercapacitors. These three technologies - energy capture, storage, and usage (e.g., lighting) - represent a systematic approach for building efficient local micro-grids that are commercially feasible; furthermore, these same technologies will be useful for lightweight power generation that enables inner planetary missions using smaller launch vehicles and facilitates surface operations. The PV device model is a two-sphere, light-trapped sheet approximately 2-mm thick. The model suggests a significant improvement over current thin film systems. All three components may be printed in line by printing sequential layers on a standard screen or flexographic direct impact press using the threedimensional printing technique (3DFM) patented by NthDegree. MSFC is testing the robustness of prototype devices in the harsh space and lunar surface environments, and available results will be reported. Unlike many traditional light sources, this device does not contain toxic compounds, and the LED component has passed stringent off-gassing tests required for potential manifesting on spacecraft such as the International Space

  7. Sequence Pattern Correlation of Amino Acid in Collision-induced Dissociation Electrospray Ionization Mass Spectrometry

    Institute of Scientific and Technical Information of China (English)

    SONG,Hao-Wei(宋浩威); YUE,Gui-Hua(岳贵花); LU,Yu(陆宇); YANG,Peng-Yuan(杨芃原); WANG,Hong-Hai(王洪海)

    2002-01-01

    A novel approach of sequence pattern correlation has been applied to predict an expected amino acid sequence from CID ESI-MS spectra. The proposed approach deduces sequence patterns with no help from known protein database such that it is useful to identify an unknown peptide or new protein. The algorithm applies a cross-correlation to match an experimental CID spectrum with predicted sequence pattern generated from fragmentation information. The fragmentation knowledge of both y-series and other non y-series are utilized to generate the predicted sequence patterns. In contrast to the normal de novo approach, the proposed approach is insensitive to mass tolerance and non-susceptive to spectral integrality with no need for selection of a starting point.

  8. Mass-analyzed threshold ionization spectroscopy of 1-bromopropane through dissociative intermediate states

    Science.gov (United States)

    Zhang, Song; Wang, Yanmei; Tang, Bifeng; Zheng, Qiusha; Zhang, Bing

    2006-02-01

    One-color two-photon ionization of 1-bromopropane, resulting in the 1-C 3H 7Br + ions in the X2E and X2E electronic states, is investigated using mass-analyzed threshold ionization (MATI) spectroscopy. The adiabatic ionization energies of two spin states are found to be 82 257 ± 5 and 84 823 ± 5 cm -1, respectively. The two-photon MATI spectrum exhibits an extensive vibrational structure. The active modes, including the C-Br stretching, the CH 2-Br wagging, the CH 2 and the CH 3 rocking modes, are observed and reliable values for these vibrational frequencies are obtained. We have also performed ab initio and density functional calculations, which provide interpretation for our experimental finding.

  9. Collision-induced dissociation analysis of negative atmospheric ion adducts in atmospheric pressure corona discharge ionization mass spectrometry.

    Science.gov (United States)

    Sekimoto, Kanako; Takayama, Mitsuo

    2013-05-01

    Collision-induced dissociation (CID) experiments were performed on atmospheric ion adducts [M + R](-) formed between various types of organic compounds M and atmospheric negative ions R(-) [such as O2(-), HCO3(-), COO(-)(COOH), NO2(-), NO3(-), and NO3(-)(HNO3)] in negative-ion mode atmospheric pressure corona discharge ionization (APCDI) mass spectrometry. All of the [M + R](-) adducts were fragmented to form deprotonated analytes [M - H](-) and/or atmospheric ions R(-), whose intensities in the CID spectra were dependent on the proton affinities of the [M - H](-) and R(-) fragments. Precursor ions [M + R](-) for which R(-) have higher proton affinities than [M - H](-) formed [M - H](-) as the dominant product. Furthermore, the CID of the adducts with HCO3(-) and NO3(-)(HNO3) led to other product ions such as [M + HO](-) and NO3(-), respectively. The fragmentation behavior of [M + R](-) for each R(-) observed was independent of analyte type (e.g., whether the analyte was aliphatic or aromatic, or possessed certain functional groups).

  10. Electrospray ionization collision-induced dissociation mass spectrometry: a tool to characterize synthetic polyaminocarboxylate ferric chelates used as fertilizers.

    Science.gov (United States)

    Orera, Irene; Orduna, Jesús; Abadía, Javier; Alvarez-Fernández, Ana

    2010-01-01

    Fertilizers based on synthetic polyaminocarboxylate ferric chelates have been known since the 1950s to be successful in supplying Fe to plants. In commercial Fe(III)-chelate fertilizers, a significant part of the water-soluble Fe-fraction consists of still uncharacterized Fe byproducts, whose agronomical value is unknown. Although collision-induced dissociation (CID) tandem mass spectrometry (MS/MS) is a valuable tool for the identification of such compounds, no fragmentation data have been reported for most Fe(III)-chelate fertilizers. The aim of this study was to characterize the CID-MS(2) fragmentation patterns of the major synthetic Fe(III)-chelates used as Fe-fertilizers, and subsequently use this technique for the characterization of commercial fertilizers. Quadrupole-time-of-flight (QTOF) and spherical ion trap mass analyzers equipped with an electrospray ionization (ESI) source were used. ESI-CID-MS(2) spectra obtained were richer when using the QTOF device. Specific differences were found among Fe(III)-chelate fragmentation patterns, even in the case of positional isomers. The analysis of a commercial Fe(III)-chelate fertilizer by high-performance liquid chromatography (HPLC) coupled to ESI-MS(QTOF) revealed two previously unknown, Fe-containing compounds, that were successfully identified by a comprehensive comparison of the ESI-CID-MS(2)(QTOF) spectra with those of pure chelates. This shows that HPLC/ESI-CID-MS(2)(QTOF), along with the Fe(III)-chelate fragmentation patterns, could be a highly valuable tool to directly characterize the water-soluble Fe fraction in Fe(III)-chelate fertilizers. This could be of great importance in issues related to crop Fe-fertilization, both from an agricultural and an environmental point of view.

  11. GRACE captures basin mass dynamic changes in China based on a multi-basin inversion method

    Science.gov (United States)

    Yi, Shuang; Wang, Qiuyu; Sun, Wenke

    2016-04-01

    Complex landform, miscellaneous climate and enormous population have enriched China with geophysical phenomena ranging from water depletion in the underground to glaciers retreat on the high mountains and have aroused large scientific interests. This paper, utilizing gravity observations 2003-2014 from the Gravity Recovery and Climate Experiment (GRACE), intends to make a comprehensive estimation of mass status in 16 drainage basins in the whole region. We proposed a multi-basin inversion method, which is featured by resistance to the stripe noise and ability to alleviate signal attenuation due to truncation and smoothing of GRACE data. The results show both positive and negative trends: there is a tremendous mass accumulation spreading from the Tibetan plateau (12.2 ± 0.6 Gt/yr) to the Yangtze River (7.6 ± 1.3 Gt/yr), and further to the southeast coastal areas, which is suggested to involve an increase in the ground water storage, lake and reservoir water volume and likely materials flowed in by tectonic process; a mass loss is occurring in Huang-Huai-Hai-Liao River Basin (-10.5 ± 0.8 Gt/yr), as well as the Brahmaputra-Nujiang-Lancang River Basin (-15.0 ± 0.9 Gt/yr) and Tienshan Mountain (-4.1 ± 0.3 Gt/yr), which is a result of groundwater pumping and glacier melting. The groundwater depletion area is well consistent with the distribution of land subsidence in North China. In the end, we find intensified precipitation can alter the local water supply and GRACE is proficient to capture this dynamics, which could be instructive for the South-to-North Water Diversion - one China's giant hydrologic project.

  12. Surface water mass composition changes captured by cores of Arctic land-fast sea ice

    Science.gov (United States)

    Smith, I. J.; Eicken, H.; Mahoney, A. R.; Van Hale, R.; Gough, A. J.; Fukamachi, Y.; Jones, J.

    2016-04-01

    In the Arctic, land-fast sea ice growth can be influenced by fresher water from rivers and residual summer melt. This paper examines a method to reconstruct changes in water masses using oxygen isotope measurements of sea ice cores. To determine changes in sea water isotope composition over the course of the ice growth period, the output of a sea ice thermodynamic model (driven with reanalysis data, observations of snow depth, and freeze-up dates) is used along with sea ice oxygen isotope measurements and an isotopic fractionation model. Direct measurements of sea ice growth rates are used to validate the output of the sea ice growth model. It is shown that for sea ice formed during the 2011/2012 ice growth season at Barrow, Alaska, large changes in isotopic composition of the ocean waters were captured by the sea ice isotopic composition. Salinity anomalies in the ocean were also tracked by moored instruments. These data indicate episodic advection of meteoric water, having both lower salinity and lower oxygen isotopic composition, during the winter sea ice growth season. Such advection of meteoric water during winter is surprising, as no surface meltwater and no local river discharge should be occurring at this time of year in that area. How accurately changes in water masses as indicated by oxygen isotope composition can be reconstructed using oxygen isotope analysis of sea ice cores is addressed, along with methods/strategies that could be used to further optimize the results. The method described will be useful for winter detection of meteoric water presence in Arctic fast ice regions, which is important for climate studies in a rapidly changing Arctic. Land-fast sea ice effective fractionation coefficients were derived, with a range of +1.82‰ to +2.52‰. Those derived effective fractionation coefficients will be useful for future water mass component proportion calculations. In particular, the equations given can be used to inform choices made when

  13. Toward a suitable structural analysis of gene delivery carrier based on polycationic carbohydrates by electron transfer dissociation tandem mass spectrometry.

    Science.gov (United States)

    Przybylski, Cédric; Benito, Juan M; Bonnet, Véronique; Mellet, Carmen Ortiz; García Fernández, José M

    2016-12-15

    Polycationic carbohydrates represent an attractive class of biomolecules for several applications and particularly as non viral gene delivery vectors. In this case, the establishment of structure-biological activity relationship requires sensitive and accurate characterization tools to both control and achieve fine structural deciphering. Electrospray-tandem mass spectrometry (ESI-MS/MS) appears as a suitable approach to address these questions. In the study herein, we have investigated the usefulness of electron transfer dissociation (ETD) to get structural data about five polycationic carbohydrates demonstrated as promising gene delivery agents. A particular attention was paid to determine the influence of charge states as well as both fluoranthene reaction time and supplementary activation (SA) on production of charge reduced species, fragmentation yield, varying from 2 to 62%, as well as to obtain the most higher both diversity and intensity of fragments, according to charge states and targeted compounds. ETD fragmentation appeared to be mainly directed toward pending group rather than carbohydrate cyclic scaffold leading to a partial sequencing for building blocks when amino groups are close to carbohydrate core, but allowing to complete structural deciphering of some of them, such as those including dithioureidocysteaminyl group which was not possible with CID only. Such findings clearly highlight the potential to help the rational choice of the suitable analytical conditions, according to the nature of the gene delivery molecules exhibiting polycationic features. Moreover, our ETD-MS/MS approach open the way to a fine sequencing/identification of grafted groups carried on various sets of oligo-/polysaccharides in various fields such as glycobiology or nanomaterials, even with unknown or questionable extraction, synthesis or modification steps.

  14. D Capturing Performances of Low-Cost Range Sensors for Mass-Market Applications

    Science.gov (United States)

    Guidi, G.; Gonizzi, S.; Micoli, L.

    2016-06-01

    Since the advent of the first Kinect as motion controller device for the Microsoft XBOX platform (November 2010), several similar active and low-cost range sensing devices have been introduced on the mass-market for several purposes, including gesture based interfaces, 3D multimedia interaction, robot navigation, finger tracking, 3D body scanning for garment design and proximity sensors for automotive. However, given their capability to generate a real time stream of range images, these has been used in some projects also as general purpose range devices, with performances that for some applications might be satisfying. This paper shows the working principle of the various devices, analyzing them in terms of systematic errors and random errors for exploring the applicability of them in standard 3D capturing problems. Five actual devices have been tested featuring three different technologies: i) Kinect V1 by Microsoft, Structure Sensor by Occipital, and Xtion PRO by ASUS, all based on different implementations of the Primesense sensor; ii) F200 by Intel/Creative, implementing the Realsense pattern projection technology; Kinect V2 by Microsoft, equipped with the Canesta TOF Camera. A critical analysis of the results tries first of all to compare them, and secondarily to focus the range of applications for which such devices could actually work as a viable solution.

  15. Comparison of quantification methods for the analysis of polychlorinated alkanes using electron capture negative ionisation mass spectrometry

    NARCIS (Netherlands)

    Rusina, T.; Korytar, P.; Boer, de J.

    2011-01-01

    Four quantification methods for short-chain chlorinated paraffins (SCCPs) or polychlorinated alkanes (PCAs) using gas chromatography electron capture negative ionisation low resolution mass spectrometry (GC-ECNI-LRMS) were investigated. The method based on visual comparison of congener group pattern

  16. High-field asymmetric waveform ion mobility spectrometry for determining the location of in-source collision-induced dissociation in electrospray ionization mass spectrometry.

    Science.gov (United States)

    Xia, Yuan-Qing; Jemal, Mohammed

    2009-09-15

    The understanding and control of the in-source collision-induced dissociation (CID) of analytes is important for the accurate LC-MS/MS quantitation of drugs and metabolites in biological samples. Accordingly, it was of interest to us to establish whether such in-source CID takes place after and/or before the orifice of an electrospray ionization (ESI) mass spectrometer. A high-field asymmetric waveform ion mobility spectrometry (FAIMS) system that is physically located between the sprayer and the orifice of a mass spectrometer can serve as an ion filter to control ions entering the orifice of the mass spectrometer. In such a configuration, FAIMS could conceivably be used to determine if the in-source CID of an analyte occurs after and/or before the mass spectrometer orifice. We demonstrated this capability of FAIMS using ifetroban acylglucuronide metabolite as a model compound. Under the conditions used, the results showed that the in-source CID conversion of the acylglucuronide metabolite to its parent drug ifetroban occurred almost entirely after the orifice of the mass spectrometer, with the conversion upstream of the orifice accounting for only 5.6% of the conversion. Under the circumstance, the term "post-orifice CID" rather than "in-source CID" may be more appropriate in describing such a dissociation occurring in the front end of a mass spectrometer.

  17. Mass measurements of neutron rich isotopes in the Fe region and electron capture processes in neutron star crusts

    Energy Technology Data Exchange (ETDEWEB)

    Estrade, Alfredo [National Superconducting Cyclotron Laboratory (NSCL); Matos, M. [Louisiana State University; Schatz, Hendrik [Michigan State University, East Lansing; Amthor, A. M. [National Superconducting Cyclotron Laboratory (NSCL); Beard, Mary [University of Notre Dame, IN; Brown, Edward [Michigan State University, East Lansing; Bazin, D. [National Superconducting Cyclotron Laboratory (NSCL); Becerril, A. [National Superconducting Cyclotron Laboratory (NSCL); Elliot, T [National Superconducting Cyclotron Laboratory (NSCL); Gade, A. [National Superconducting Cyclotron Laboratory (NSCL); Galaviz, D. [National Superconducting Cyclotron Laboratory (NSCL); Gupta, Sanjib [Indian Institute of Technology, Kanpur; Hix, William Raphael [ORNL; Lau, Rita [National Superconducting Cyclotron Laboratory (NSCL); Moeller, Peter [Los Alamos National Laboratory (LANL); Pereira, J. [National Superconducting Cyclotron Laboratory (NSCL); Portillo, M. [National Superconducting Cyclotron Laboratory (NSCL); Rogers, A. M. [National Superconducting Cyclotron Laboratory (NSCL); Shapira, Dan [ORNL; Smith, E. [Ohio State University; Stolz, A. [Michigan State University, East Lansing; Wallace, M. [Los Alamos National Laboratory (LANL); Wiescher, Michael [University of Notre Dame, IN

    2010-01-01

    Experimental knowledge of nuclear masses of exotic nuclei is important for understanding nu- clear structure far from the valley of -stability, and as a direct input into astrophysical models. Electron capture processes in the crust of accreting neutron stars have been proposed as a heat source that can affect the thermal structure of the star. Nuclear masses of very neutron-rich nu- clides are necessary inputs to model the electron capture process. The time-of-flight (TOF) mass measurement technique allows measurements on very short-lived nuclei. It has been effectively applied using the fast fragment beams produced at the National Superconducting Cyclotron Lab (NSCL) to reach masses very far from stability. Measurements were performed for neutron-rich isotopes in the region of the N=32 and N=40 subshells, which coincides with the mass range of carbon superburst ashes. We discuss reaction network calculations performed to investigate the impact of our new measurements and to compare the effect of using different global mass models in the calculations. It is observed that the process is sensitive to the differences in the odd-even mass staggering predicted by the mass models, and our new result for 66Mn has a significant impact on the distribution of heat sources in the crust.

  18. The capture of dark matter particles through the evolution of low-mass stars

    CERN Document Server

    Lopes, Ilídio; Eugénio, Daniel

    2011-01-01

    We studied the rate at which stars capture dark matter (DM) particles, considering different assumptions regarding the DM characteristics and in particular investigating how the stellar physics influences the capture rate. Two scenarios were considered: firstly, we assumed the maximal values for the spin-dependent and spin-independent DM particle-nucleon scattering cross sections allowed by the limits from direct detection experiments. Secondly, we considered that both scattering cross sections are of the same order, with the aim of studying the dependencies of the capture rate on stellar elements other than hydrogen. We found that the characteristics of the capture rate are very different in the two scenarios. Furthermore, we quantified the uncertainties on the computed capture rate (C_x) and on the ratio between the luminosities from DM annihilations and thermonuclear reactions (L_x/L_nuc) derived from an unprecise knowledge of the stellar structure and DM parameters. For instance, while an uncertainty of 1...

  19. Electron Transfer Dissociation of All Ions at All Times, MSETD, in a Quadrupole Time-of-Flight (Q-ToF) Mass Spectrometer

    Science.gov (United States)

    Cramer, Christian N.; Brown, Jeffery M.; Tomczyk, Nick; Nielsen, Peter Kresten; Haselmann, Kim F.

    2016-12-01

    Data-independent mass spectral acquisition is particularly powerful when combined with ultra-performance liquid chromatography (LC) that provides excellent separation of most components present in a given sample. Data-independent analysis (DIA) consists of alternating full MS scans and scans with fragmentation of all ions within a selected m/z range, providing precursor masses and structure information, respectively. Fragmentation spectra are acquired either by sequential isolation and fragmentation of sliding m/z ranges or fragmenting all ions entering the MS instrument with no ion isolation, termed broadband DIA. Previously, broadband DIA has only been possible using collision induced dissociation (CID). Here, we report the use of electron transfer dissociation (ETD) as the fragmentation technique in broadband DIA instead of traditional collision induced dissociation (CID) during MSE. In this approach, which we refer to as MSETD, we implement the inherent benefits provided by ETD, such as discrimination of leucine and isoleucine, in a DIA setup. The combination of DIA analysis and ETD fragmentation with supplemental CID energy provides a powerful platform to obtain information on all precursors and their sequence from a single experiment.

  20. Electron Transfer Dissociation of All Ions at All Times, MSETD, in a Quadrupole Time-of-Flight (Q-ToF) Mass Spectrometer

    Science.gov (United States)

    Cramer, Christian N.; Brown, Jeffery M.; Tomczyk, Nick; Nielsen, Peter Kresten; Haselmann, Kim F.

    2017-02-01

    Data-independent mass spectral acquisition is particularly powerful when combined with ultra-performance liquid chromatography (LC) that provides excellent separation of most components present in a given sample. Data-independent analysis (DIA) consists of alternating full MS scans and scans with fragmentation of all ions within a selected m/z range, providing precursor masses and structure information, respectively. Fragmentation spectra are acquired either by sequential isolation and fragmentation of sliding m/z ranges or fragmenting all ions entering the MS instrument with no ion isolation, termed broadband DIA. Previously, broadband DIA has only been possible using collision induced dissociation (CID). Here, we report the use of electron transfer dissociation (ETD) as the fragmentation technique in broadband DIA instead of traditional collision induced dissociation (CID) during MSE. In this approach, which we refer to as MSETD, we implement the inherent benefits provided by ETD, such as discrimination of leucine and isoleucine, in a DIA setup. The combination of DIA analysis and ETD fragmentation with supplemental CID energy provides a powerful platform to obtain information on all precursors and their sequence from a single experiment.

  1. Formation and reshuffling of disulfide bonds in bovine serum albumin demonstrated using tandem mass spectrometry with collision-induced and electron-transfer dissociation.

    Science.gov (United States)

    Rombouts, Ine; Lagrain, Bert; Scherf, Katharina A; Lambrecht, Marlies A; Koehler, Peter; Delcour, Jan A

    2015-07-20

    Thermolysin hydrolyzates of freshly isolated, extensively stored (6 years, 6 °C, dry) and heated (60 min, 90 °C, in excess water) bovine serum albumin (BSA) samples were analyzed with liquid chromatography (LC) electrospray ionization (ESI) tandem mass spectrometry (MS/MS) using alternating electron-transfer dissociation (ETD) and collision-induced dissociation (CID). The positions of disulfide bonds and free thiol groups in the different samples were compared to those deduced from the crystal structure of native BSA. Results revealed non-enzymatic posttranslational modifications of cysteine during isolation, extensive dry storage, and heating. Heat-induced extractability loss of BSA was linked to the impact of protein unfolding on the involvement of specific cysteine residues in intermolecular and intramolecular thiol-disulfide interchange and thiol oxidation reactions. The here developed approach holds promise for exploring disulfide bond formation and reshuffling in various proteins under conditions relevant for chemical, biochemical, pharmaceutical and food processing.

  2. Appropriate choice of collision-induced dissociation energy for qualitative analysis of notoginsenosides based on liquid chromatography hybrid ion trap time-of-flight mass spectrometry.

    Science.gov (United States)

    Wang, Guang-Ji; Fu, Han-Xu; Xiao, Jing-Cheng; Ye, Wei; Rao, Tai; Shao, Yu-Hao; Kang, Dian; Xie, Lin; Liang, Yan

    2016-04-01

    Liquid chromatography hybrid ion trap/time-of-flight mass spectrometry possessesd both the MS(n) ability of ion trap and the excellent resolution of a time-of-flight, and has been widely used to identify drug metabolites and determine trace multi-components for in natural products. Collision energy, one of the most important factors in acquiring MS(n) information, could be set freely in the range of 10%-400%. Herein, notoginsenosides were chosen as model compounds to build a novel methodology for the collision energy optimization. Firstly, the fragmental patterns of the representatives for the authentic standards of protopanaxadiol-type and protopanaxatriol-type notoginsenosides authentic standards were obtained based on accurate MS(2) and MS(3) measurements via liquid chromatography hybrid ion trap/time-of-flight mass spectrometry. Then the extracted ion chromatograms of characteristic product ions of notoginsenosides in Panax Notoginseng Extract, which were produced under a series of collision energies and, were compared to screen out the optimum collision energies values for MS(2) and MS(3). The results demonstrated that the qualitative capability of liquid chromatography hybrid ion trap/time-of-flight mass spectrometry was greatly influenced by collision energies, and 50% of MS(2) collision energy was found to produce the highest collision-induced dissociation efficiency for notoginsenosides. BesidesAddtionally, the highest collision-induced dissociation efficiency appeared when the collision energy was set at 75% in the MS(3) stage.

  3. Heat and mass transfer in a dissociated laminar boundary layer of air with consideration of the finite rate of chemical reaction

    Science.gov (United States)

    Oyegbesan, A. O.; Algermissen, J.

    1986-01-01

    A numerical investigation of heat and mass transfer in a dissociated laminar boundary layer of air on an isothermal flat plate is carried out for different degrees of cooling of the wall. A finite-difference chemical model is used to study elementary reactions involving NO2 and N2O. The analysis is based on equations of continuity, momentum, energy, conservation and state for the two-dimensional viscous flow of a reacting multicomponent mixtures. Attention is given to the effects of both catalyticity and noncatalyticity of the wall.

  4. Elucidating collision induced dissociation products and reaction mechanisms of protonated uracil by coupling chemical dynamics simulations with tandem mass spectrometry experiments.

    Science.gov (United States)

    Molina, Estefanía Rossich; Ortiz, Daniel; Salpin, Jean-Yves; Spezia, Riccardo

    2015-12-01

    In this study we have coupled mixed quantum-classical (quantum mechanics/molecular mechanics) direct chemical dynamics simulations with electrospray ionization/tandem mass spectrometry experiments in order to achieve a deeper understanding of the fragmentation mechanisms occurring during the collision induced dissociation of gaseous protonated uracil. Using this approach, we were able to successfully characterize the fragmentation pathways corresponding to ammonia loss (m/z 96), water loss (m/z 95) and cyanic or isocyanic acid loss (m/z 70). Furthermore, we also performed experiments with isotopic labeling completing the fragmentation picture. Remarkably, fragmentation mechanisms obtained from chemical dynamics simulations are consistent with those deduced from isotopic labeling.

  5. Thermokinetic/mass-transfer analysis of carbon capture for reuse/sequestration.

    Energy Technology Data Exchange (ETDEWEB)

    Stechel, Ellen Beth; Brady, Patrick Vane; Staiger, Chad Lynn; Luketa, Anay Josephine

    2010-09-01

    Effective capture of atmospheric carbon is a key bottleneck preventing non bio-based, carbon-neutral production of synthetic liquid hydrocarbon fuels using CO{sub 2} as the carbon feedstock. Here we outline the boundary conditions of atmospheric carbon capture for recycle to liquid hydrocarbon fuels production and re-use options and we also identify the technical advances that must be made for such a process to become technically and commercially viable at scale. While conversion of atmospheric CO{sub 2} into a pure feedstock for hydrocarbon fuels synthesis is presently feasible at the bench-scale - albeit at high cost energetically and economically - the methods and materials needed to concentrate large amounts of CO{sub 2} at low cost and high efficiency remain technically immature. Industrial-scale capture must entail: (1) Processing of large volumes of air through an effective CO{sub 2} capture media and (2) Efficient separation of CO{sub 2} from the processed air flow into a pure stream of CO{sub 2}.

  6. Electron photodetachment dissociation for structural characterization of synthetic and bio-polymer anions.

    Science.gov (United States)

    Antoine, Rodolphe; Lemoine, Jérôme; Dugourd, Philippe

    2014-01-01

    Tandem mass spectrometry (MS-MS) is a generic term evoking techniques dedicated to structural analysis, detection or quantification of molecules based on dissociation of a precursor ion into fragments. Searching for the most informative fragmentation patterns has led to the development of a vast array of activation modes that offer complementary ion reactivity and dissociation pathways. Collisional activation of ions using atoms, molecules or surface resulting in unimolecular dissociation of activated ions still plays a key role in tandem mass spectrometry. The discovery of electron capture dissociation (ECD) and then the development of other electron-ion or ion/ion reaction methods, constituted a significant breakthrough, especially for structural analysis of large biomolecules. Similarly, photon activation opened promising new frontiers in ion fragmentation owing to the ability of tightly controlled internal energy deposition and easy implementation on commercial instruments. Ion activation by photons includes slow heating methods such as infrared multiple photon dissociation (IRMPD) and black-body infrared radiative dissociation (BIRD) and higher energy methods like ultra-violet photodissociation (UVPD) and electron photo detachment dissociation (EPD). EPD occurs after UV irradiation of multiply negatively charged ions resulting in the formation of oxidized radical anions. The present paper reviews the hypothesis regarding the mechanisms of electron photo-detachment, radical formation and direct or activated dissociation pathways that support the observation of odd and even electron product ions. Finally, the value of EPD as a complementary structural analysis tool is illustrated through selected examples of synthetic polymers, oligonucleotides, polypeptides, lipids, and polysaccharides.

  7. Nanosolvation by acetonitrile and 18-crown-6 ether induce strongly different effects on the electron-capture induced dissociation of aromatic tripeptide cations in the gas phase

    DEFF Research Database (Denmark)

    MacLot, S.; Rangama, J.; Nielsen, Steen Brøndsted;

    2013-01-01

    , acetonitrile and 18-crown-6 ether (CE), to these tripeptide cations on the relative probabilities of their main fragmentation channels (H loss, NH3 loss and N — Cα bond cleavage) after electron capture from sodium atoms. First, we recorded the spectra of bare peptide ions, and found that N — Cα bond cleavage......-terminal ammonium group. Besides, this experimental result is consistent with our DFT calculations, which suggest a lower abundance of N terminally-protonated [KWK+2H]2+(CE)2 compared to bare tripeptide cations. Extracting the H-loss contribution from ECID data had never been done for tripeptides nanosolvated by CE....... This allowed us to observe the enhancement of H loss from KWK and KYK nanosolvated by two CE, but surprisingly, not by one. This peculiar behavior might be due to H transfer from the reduced radical NH3 group to CE, followed by loss of the [CE+H] radical....

  8. Mass driver retrievals of earth-approaching asteroids. [earth orbit capture for mining purposes

    Science.gov (United States)

    Oleary, B.

    1977-01-01

    Mass driver tugs can be designed to move Apollo and Amor asteroids at opportunities of low velocity increment to the vicinity of the earth. The cost of transferring asteroids through a velocity interval of 3 km/sec by mass driver is about 16 cents per kilogram amortized over 10 years, about ten times less than that required to retrieve lunar resources during the early phases of a program of space manufacturing. About 22 per cent of a 200-meter diameter asteroid could be transferred to high earth orbit by an automated 100 megawatt solar-powered mass driver in a period of five years for a cost of approximately $1 billion. Estimates of the total investment of a space manufacturing program could be reduced twofold by using asteroidal instead of lunar resources; such a program could begin several years sooner with minimal concurrent development if asteroidal search programs and mass driver development are immediately accelerated.

  9. Precision mass measurements for studies of nucleosynthesis via the rapid neutron-capture process. Penning-trap mass measurements of neutron-rich cadmium and caesium isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Atanasov, Dinko

    2016-07-06

    Although the theory for the rapid neutron-capture process (r-process) was developed more than 55 years ago, the astrophysical site is still under a debate. Theoretical studies predict that the r-process path proceeds through very neutron-rich nuclei with very asymmetric proton-to-neutron ratios. Knowledge about the properties of neutron-rich isotopes found in similar regions of the nuclear chart and furthermore suitable for r-process studies is still little or even not existing. The basic nuclear properties such as binding energies, half-lives, neutron-induced or neutron-capture reaction cross-sections, play an important role in theoretical simulations and can vary or even drastically alternate results of these studies. Therefore, a considerable effort was put forward to access neutron-rich isotopes at radioactive ion-beam facilities like ISOLDE at CERN. The goal of this PhD thesis is to describe the experimental work done for the precision mass measurements of neutron-rich cadmium ({sup 129-131}Cd) and caesium ({sup 132,146-148}Cs) isotopes. Measurements were done at the on-line radioactive ion-beam facility ISOLDE by using the four-trap mass spectrometer ISOLTRAP. The cadmium isotopes are key nuclides for the synthesis of stable isotopes around the mass peak A = 130 in the Solar System abundance.

  10. Target Capturing Control for Space Robots with Unknown Mass Properties: A Self-Tuning Method Based on Gyros and Cameras

    Directory of Open Access Journals (Sweden)

    Zhenyu Li

    2016-08-01

    Full Text Available Satellite capturing with free-floating space robots is still a challenging task due to the non-fixed base and unknown mass property issues. In this paper gyro and eye-in-hand camera data are adopted as an alternative choice for solving this problem. For this improved system, a new modeling approach that reduces the complexity of system control and identification is proposed. With the newly developed model, the space robot is equivalent to a ground-fixed manipulator system. Accordingly, a self-tuning control scheme is applied to handle such a control problem including unknown parameters. To determine the controller parameters, an estimator is designed based on the least-squares technique for identifying the unknown mass properties in real time. The proposed method is tested with a credible 3-dimensional ground verification experimental system, and the experimental results confirm the effectiveness of the proposed control scheme.

  11. Target Capturing Control for Space Robots with Unknown Mass Properties: A Self-Tuning Method Based on Gyros and Cameras.

    Science.gov (United States)

    Li, Zhenyu; Wang, Bin; Liu, Hong

    2016-08-30

    Satellite capturing with free-floating space robots is still a challenging task due to the non-fixed base and unknown mass property issues. In this paper gyro and eye-in-hand camera data are adopted as an alternative choice for solving this problem. For this improved system, a new modeling approach that reduces the complexity of system control and identification is proposed. With the newly developed model, the space robot is equivalent to a ground-fixed manipulator system. Accordingly, a self-tuning control scheme is applied to handle such a control problem including unknown parameters. To determine the controller parameters, an estimator is designed based on the least-squares technique for identifying the unknown mass properties in real time. The proposed method is tested with a credible 3-dimensional ground verification experimental system, and the experimental results confirm the effectiveness of the proposed control scheme.

  12. Aptamer-conjugated multifunctional nanoflowers as a platform for targeting, capture, and detection in laser desorption ionization mass spectrometry.

    Science.gov (United States)

    Ocsoy, Ismail; Gulbakan, Basri; Shukoor, Mohammed Ibrahim; Xiong, Xiangling; Chen, Tao; Powell, David H; Tan, Weihong

    2013-01-22

    Although many different nanomaterials have been tested as substrates for laser desorption and ionization mass spectrometry (LDI-MS), this emerging field still requires more efficient multifuncional nanomaterials for targeting, enrichment, and detection. Here, we report the use of gold manganese oxide (Au@MnO) hybrid nanoflowers as an efficient matrix for LDI-MS. The nanoflowers were also functionalized with two different aptamers to target cancer cells and capture adenosine triphosphate (ATP). These nanoflowers were successfully used for metabolite extraction from cancer cell lysates. Thus, in one system, our multifunctional nanoflowers can (1) act as an ionization substrate for mass spectrometry, (2) target cancer cells, and (3) detect and analyze metabolites from cancer cells.

  13. Aptamer Conjugated Multifunctional Nanoflowers as a Platform for Targeting, Capture and Detection in Laser Desorption Ionization Mass Spectrometry

    Science.gov (United States)

    Ocsoy, Ismail; Gulbakan, Basri; Shukoor, Mohammed Ibrahim; Xiong, Xiangling; Chen, Tao; Powell, David H.; Tan, Weihong

    2013-01-01

    Although many different nanomaterials have been tested as substrates for laser desorption and ionization mass spectrometry (LDI-MS), this emerging field still requires more efficient multifuncional nanomaterials for targeting, enrichment and detection. Here, we report the use of gold-manganese oxide (Au@MnO) hybrid nanoflowers as an efficient matrix for LDI–MS. The nanoflowers were also functionalized with two different aptamers to target cancer cells and capture adenosine triphosphate (ATP), respectively. These nanoflowers were successfully used for metabolite extraction from cancer cell lysates. Thus, in one system, our multifunctional nanoflowers can 1) act as an ionization substrate for mass spectrometry, 2) target cancer cells, and 3) detect and analyze metabolites from cancer cells. PMID:23211039

  14. Target Capturing Control for Space Robots with Unknown Mass Properties: A Self-Tuning Method Based on Gyros and Cameras

    Science.gov (United States)

    Li, Zhenyu; Wang, Bin; Liu, Hong

    2016-01-01

    Satellite capturing with free-floating space robots is still a challenging task due to the non-fixed base and unknown mass property issues. In this paper gyro and eye-in-hand camera data are adopted as an alternative choice for solving this problem. For this improved system, a new modeling approach that reduces the complexity of system control and identification is proposed. With the newly developed model, the space robot is equivalent to a ground-fixed manipulator system. Accordingly, a self-tuning control scheme is applied to handle such a control problem including unknown parameters. To determine the controller parameters, an estimator is designed based on the least-squares technique for identifying the unknown mass properties in real time. The proposed method is tested with a credible 3-dimensional ground verification experimental system, and the experimental results confirm the effectiveness of the proposed control scheme. PMID:27589748

  15. Identification of lanthionine and lysinoalanine in heat-treated wheat gliadin and bovine serum albumin using tandem mass spectrometry with higher-energy collisional dissociation.

    Science.gov (United States)

    Rombouts, Ine; Lambrecht, Marlies A; Carpentier, Sebastien C; Delcour, Jan A

    2016-04-01

    The present manuscript reports on the identification of various dehydroamino acid-derived bonds and cross-links resulting from thermal treatment (excess water, 240 min, 130 °C) of two model food proteins, bovine serum albumin, and wheat gliadin. S-Carbamidomethylated tryptic and chymotryptic digests of unheated (control) and heated serum albumin and gliadin, respectively, were analyzed by liquid chromatography coupled to tandem mass spectrometry (LC-ESI-MS/MS) with higher-energy collisional dissociation (HCD). Heat-induced β-elimination of cystine, serine and threonine, and subsequent Michael addition of cysteine and lysine to dehydroalanine and 3-methyl-dehydroalanine were demonstrated. Lanthionine, lysinoalanine, 3-methyl-lanthionine, and 3-methyl-lysinoalanine were identified. The detection of inter-chain lanthionine in both bovine serum albumin and wheat gliadin suggests the significance of these cross-links for food texture.

  16. 3D CAPTURING PERFORMANCES OF LOW-COST RANGE SENSORS FOR MASS-MARKET APPLICATIONS

    OpenAIRE

    Guidi, G; S. Gonizzi; Micoli, L.

    2016-01-01

    Since the advent of the first Kinect as motion controller device for the Microsoft XBOX platform (November 2010), several similar active and low-cost range sensing devices have been introduced on the mass-market for several purposes, including gesture based interfaces, 3D multimedia interaction, robot navigation, finger tracking, 3D body scanning for garment design and proximity sensors for automotive. However, given their capability to generate a real time stream of range images, th...

  17. Photoionization and Dissociative Photoionization Study of Cholesterol by IR Laser Desorption/Tunable Synchrotron VUV Photoionization Mass Spectrometry

    Institute of Scientific and Technical Information of China (English)

    Yang Pan; Li-dong Zhang; Hui-jun Guo; Hao Yin; Fei Qi

    2009-01-01

    Elementary cholesterol was analyzed with IR laser desorption/tunable synchrotron vacuum ultraviolet photoionization mass spectrometry. An exclusive molecular ion of cholesterol is observed by near threshold single-photon ionization with high efficiency. Fragments are yielded with the increase of photon energy. The structures of various fragments are determined with commercial electron ionization time-of-flight mass spectrometry. Dominant fragmentation pathways are discussed in detail with the aid of ab initio calculations.

  18. Measuring Nitrous Oxide Mass Transfer into Non-Aqueous CO2BOL CO2 Capture Solvents

    Energy Technology Data Exchange (ETDEWEB)

    Whyatt, Greg A.; Freeman, Charles J.; Zwoster, Andy; Heldebrant, David J.

    2016-03-28

    This paper investigates CO2 absorption behavior in CO2BOL solvents by decoupling the physical and chemical effects using N2O as a non-reactive mimic. Absorption measurements were performed using a wetted-wall contactor. Testing was performed using a “first generation” CO2 binding organic liquid (CO2BOL), comprised of an independent base and alcohol. Measurements were made with N2O at a lean (0.06 mol CO2/mol BOL) and rich (0.26 mol CO2/mol BOL) loading, each at three temperatures (35, 45 and 55 °C). Liquid-film mass transfer coefficients (kg') were calculated by subtracting the gas film resistance – determined from a correlation from literature – from the overall mass transfer measurement. The resulting kg' values for N2O in CO2BOLs were found to be higher than that of 5 M aqueous MEA under comparable conditions, which is supported by published measurements of Henry’s coefficients for N2O in various solvents. These results suggest that the physical solubility contribution for CO2 absorption in CO2BOLs is greater than that of aqueous amines, an effect that may pertain to other non-aqueous solvents.

  19. Modeling deoxyribose radicals by neutralization-reionization mass spectrometry. Part 1. Preparation, dissociations, and energetics of 2-hydroxyoxolan-2-yl radical, neutral isomers, and cations.

    Science.gov (United States)

    Vivekananda, Shetty; Sadílek, Martin; Chen, Xiaohong; Turecek, Frantisek

    2004-07-01

    Collisional neutralization of several isomeric C(4)H(7)O(2) cations is used to generate radicals that share some structural features with transient species that are thought to be produced by radiolysis of 2-deoxyribose. The title 2-hydroxyoxolan-2-yl radical (1) undergoes nearly complete dissociation when produced by femtosecond electron transfer from thermal organic electron donors dimethyl disulfide and N,N-dimethylaniline in the gas phase. Product analysis, isotope labeling ((2)H and (18)O), and potential energy surface mapping by ab initio calculations at the G2(MP2) and B3-PMP2 levels of theory and in combination with Rice-Ramsperger-Kassel-Marcus (RRKM) kinetic calculations are used to assign the major and some minor pathways for 1 dissociations. The major (approximately 90%) pathway is initiated by cleavage of the ring C-5[bond]O bond in 1 and proceeds to form ethylene and *CH(2)COOH as main products, whereas loss of a hydrogen atom forms 4-hexenoic acid as a minor product. Loss of the OH hydrogen atom forming butyrolactone (2, approximately 9%) and cleavage of the C-3[bond]C-4 bonds (<1%) in 1 are other minor pathways. The major source of excitation in 1 is by Franck-Condon effects that cause substantial differences between the adiabatic and vertical ionization of 1 (5.40 and 6.89 eV, respectively) and vertical recombination in the precursor ion 1(+) (4.46 eV). (+)NR(+) mass spectra distinguish radical 1 from isomeric radicals 2-oxo-(1H)oxolanium (3), 1,3-dioxan-2-yl (9), and 1,3-dioxan-4-yl (10) that were generated separately from their corresponding ion precursors.

  20. Tidal capture formation of Low Mass X-Ray Binaries from wide binaries in the field

    CERN Document Server

    Michaely, Erez

    2015-01-01

    We present a potentially efficient dynamical formation scenario for Low Mass X-ray Binaries (LMXBs) in the field, focusing on black-hole (BH) LMXBs. In this formation channel LMXBs are formed from wide binaries $(>1000$ AU) with a BH component and a stellar companion. The wide binary is perturbed by fly-by's of field stars and its orbit random-walks and changes over time. This diffusion process can drive the binary into a sufficiently eccentric orbit such that the binary components tidally interact at peri-center and the binary evolves to become a short period binary, which eventually evolves into an LMXB. The formation rate of LMXBs through this channel mostly depends on the number of such BH wide binaries progenitors, which in turn depends on the velocity kicks imparted to BHs (or NSs) at birth. We consider several models for the formation and survival of such wide binaries, and calculate the LMXB formation rates for each model. We find that models where BHs form through direct collapse with no/little natal...

  1. Precision mass measurements for studies of nucleosynthesis via the rapid neutron-capture process Penning-trap mass measurements of neutron-rich cadmium and caesium isotopes

    CERN Document Server

    AUTHOR|(CDS)2085660; Litvinov, Yuri A.; Kreim, Susanne

    Although the theory for the rapid neutron-capture process (r-process) was developed more than 55 years ago, the astrophysical site is still under a debate. Theoretical studies predict that the r-process path proceeds through very neutron-rich nuclei with very asymmetric proton- to-neutron ratios. Knowledge about the properties of neutron-rich isotopes found in similar regions of the nuclear chart and furthermore suitable for r-process studies is still little or even not existing. The basic nuclear properties such as binding energies, half-lives, neutron-induced or neutron-capture reaction cross-sections, play an important role in theoretical simulations and can vary or even drastically alternate results of these studies. Therefore, a considerable effort was put forward to access neutron-rich isotopes at radioactive ion-beam facilities like ISOLDE at CERN. The goal of this PhD thesis is to describe the experimental work done for the precision mass measurements of neutron-rich cadmium (129−131 Cd) and caesium...

  2. Toward understanding amines and their degradation products from postcombustion CO2 capture processes with aerosol mass spectrometry.

    Science.gov (United States)

    Ge, Xinlei; Shaw, Stephanie L; Zhang, Qi

    2014-05-06

    Amine-based postcombustion CO2 capture (PCCC) is a promising technique for reducing CO2 emissions from fossil fuel burning plants. A concern of the technique, however, is the emission of amines and their degradation byproducts. To assess the environmental risk of this technique, standardized stack sampling and analytical methods are needed. Here we report on the development of an integrated approach that centers on the application of a high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) for characterizing amines and PCCC-relevant species. Molecular characterization is achieved via ion chromatography (IC) and electrospray ionization high-resolution mass spectrometry (ESI-MS). The method has been optimized, particularly, by decreasing the AMS vaporizer temperature, to gain quantitative information on the elemental composition and major nitrogen-containing species in laboratory-degraded amine solvents commonly tested for PCCC applications, including ethanolamine (MEA), methyldiethanolamine (MDEA), and piperazine (PIP). The AMS-derived nitrogen-to-carbon (N/C) ratios for the degraded solvent and product mixtures agree well with the results from a total organic carbon and total nitrogen (TOC/TN) analyzer. In addition, marker ions identified in the AMS spectra are used to estimate the mass contributions of individual species. Overall, our results indicate that this new approach is suitable for characterizing PCCC-related mixtures as well as organic nitrogen species in other sample types. As an online instrument, AMS can be used for both real-time characterization of emissions from operating PCCC plants and ambient particles in the vicinity of the facilities.

  3. TEMPO-Assisted Free Radical-Initiated Peptide Sequencing Mass Spectrometry (FRIPS MS) in Q-TOF and Orbitrap Mass Spectrometers: Single-Step Peptide Backbone Dissociations in Positive Ion Mode

    Science.gov (United States)

    Jang, Inae; Lee, Sun Young; Hwangbo, Song; Kang, Dukjin; Lee, Hookeun; Kim, Hugh I.; Moon, Bongjin; Oh, Han Bin

    2017-01-01

    The present study demonstrates that one-step peptide backbone fragmentations can be achieved using the TEMPO [2-(2,2,6,6-tetramethyl piperidine-1-oxyl)]-assisted free radical-initiated peptide sequencing (FRIPS) mass spectrometry in a hybrid quadrupole time-of-flight (Q-TOF) mass spectrometer and a Q-Exactive Orbitrap instrument in positive ion mode, in contrast to two-step peptide fragmentation in an ion-trap mass spectrometer (reference Anal. Chem. 85, 7044-7051 (30)). In the hybrid Q-TOF and Q-Exactive instruments, higher collisional energies can be applied to the target peptides, compared with the low collisional energies applied by the ion-trap instrument. The higher energy deposition and the additional multiple collisions in the collision cell in both instruments appear to result in one-step peptide backbone dissociations in positive ion mode. This new finding clearly demonstrates that the TEMPO-assisted FRIPS approach is a very useful tool in peptide mass spectrometry research.

  4. Thermal dissociation atmospheric chemical ionization ion trap mass spectrometry with a miniature source for selective trace detection of dimethoate in fruit juices.

    Science.gov (United States)

    Ouyang, Yongzhong; Zhang, Xinglei; Han, Jing; Guo, Xiali; Zhu, Zhiqiang; Chen, Huanwen; Luo, Liping

    2013-01-21

    A miniature thermal dissociation atmospheric chemical ionization (TDCI) source, coupled with LTQ-MS, has been developed for rapid trace detection of pesticide residues such as dimethoate in highly viscous fruit juice samples. Instead of toxic organic solvents and the high electric field used in the conventional ionizations, an ionic liquid, a "green solvent", was employed to directly generate reagent ions in the TDCI process, followed by the proton or charge transfer with the analytes prior to the LTQ instrument for mass analysis. Trace amounts of dimethoate in fresh orange juices have been quantitatively detected, without any sample pretreatment or aid of high-pressure gas. A low limit of detection (LOD = 8.76 × 10(-11) g mL(-1)), acceptable relative standard deviation (RSD = 3.1-10.0%), and reasonable recoveries (91.2-102.8%) were achieved with this method for direct detection of dimethoate in highly viscous orange juice samples. The average analysis time for each single sample was less than 30 seconds. These experimental results showed that the miniature TDCI developed here is a powerful tool for the fast trace detection of pesticide residues in complex viscous fruit juices, with the advantage of high sensitivity, high speed, and high-throughput, ease of operation, and so on. Because of no chemical contamination and high voltage damage to the analytes and the environment, the technique has promising applications for online quality monitoring in the area of food safety.

  5. Uncovering the stoichiometry of Pyrococcus furiosus RNase P, a multi-subunit catalytic ribonucleoprotein complex, by surface-induced dissociation and ion mobility mass spectrometry.

    Science.gov (United States)

    Ma, Xin; Lai, Lien B; Lai, Stella M; Tanimoto, Akiko; Foster, Mark P; Wysocki, Vicki H; Gopalan, Venkat

    2014-10-20

    We demonstrate that surface-induced dissociation (SID) coupled with ion mobility mass spectrometry (IM-MS) is a powerful tool for determining the stoichiometry of a multi-subunit ribonucleoprotein (RNP) complex assembled in a solution containing Mg(2+). We investigated Pyrococcus furiosus (Pfu) RNase P, an archaeal RNP that catalyzes tRNA 5' maturation. Previous step-wise, Mg(2+)-dependent reconstitutions of Pfu RNase P with its catalytic RNA subunit and two interacting protein cofactor pairs (RPP21⋅RPP29 and POP5⋅RPP30) revealed functional RNP intermediates en route to the RNase P enzyme, but provided no information on subunit stoichiometry. Our native MS studies with the proteins showed RPP21⋅RPP29 and (POP5⋅RPP30)2 complexes, but indicated a 1:1 composition for all subunits when either one or both protein complexes bind the cognate RNA. These results highlight the utility of SID and IM-MS in resolving conformational heterogeneity and yielding insights on RNP assembly.

  6. Study of differential proteins in lung adenocarcinoma using laser capture microdissection combined with liquid chip-mass spectrometry technology

    Institute of Scientific and Technical Information of China (English)

    BU Li-na; LIN Xiu-li; LIU Yan-feng; LIN Yu-rong; RONG Biao-xue; YANG Shuan-ying; LI Feng-tao; SHANG Wen-li; ZHANG Wei; HUO Shu-fen; NAN Yan-dong; TIAN Ying-xuan; DU Jie

    2010-01-01

    Background In recent years the proportion of lung adenocarcinoma (adCA) which occurs in lung cancer patients has increased. Using laser capture microdissection (LCM) combined with liquid chip-mass spectrometry technology, we aimed to screen lung cancer biomarkers by studying the proteins in the tissues of adCA.Methods We used LCM and magnetic bead based weak cation exchange (MB-WCX) to separate and purify the homogeneous adCA cells and normal calls from six cases of fresh adCA and matched normal lung tissues. The proteins were analyzed and identified by matrix assisted laser desorption/ionization time-of-fight mass spectrometry (MALDI-OF-MS). We screened for the best pattern using a radial basic function neural network algorithm.Results About 2.895x106 and 1.584x106 cells were satisfactorily obtained by LCM from six cases of fresh lung adCA and matched normal lung tissues, respectively. The homogeneities of cell population were estimated to be over 95% as determined by microscopic visualization. Comparing the differentially expressed proteins between the lung adCA and the matched normal lung group, 221 and 239 protein peaks, respectively, were found in the mass-to-charge ration (M/Z)between 800 Da and 10 000 Da. According to t test, the expression of two protein peaks at 7521.5 M/Z and 5079.3 M/Z had the largest difference between tissues. They were more weakly expressed in the lung adCA compared to the matched normal group. The two protein peaks could accurately separate the lung adCA from the matched normal lung group by the sample distribution chart. A discriminatory pattern which can separate the lung adCA from the matched normal lung tissue consisting of three proteins at 3358.1 M/Z, 5079.3 M/Z and 7521.5 M/Z was established by a radial basic function neural network algorithm with a sensitivity of 100% and a specificity of 100%.Conclusions Differential proteins in lung adCA were screened using LCM combined with liquid chip-mass spectrometry technology, and a

  7. Capture compound mass spectrometry--a powerful tool to identify novel c-di-GMP effector proteins.

    Science.gov (United States)

    Laventie, Benoît-Joseph; Nesper, Jutta; Ahrné, Erik; Glatter, Timo; Schmidt, Alexander; Jenal, Urs

    2015-01-01

    Considerable progress has been made during the last decade towards the identification and characterization of enzymes involved in the synthesis (diguanylate cyclases) and degradation (phosphodiesterases) of the second messenger c-di-GMP. In contrast, little information is available regarding the molecular mechanisms and cellular components through which this signaling molecule regulates a diverse range of cellular processes. Most of the known effector proteins belong to the PilZ family or are degenerated diguanylate cyclases or phosphodiesterases that have given up on catalysis and have adopted effector function. Thus, to better define the cellular c-di-GMP network in a wide range of bacteria experimental methods are required to identify and validate novel effectors for which reliable in silico predictions fail. We have recently developed a novel Capture Compound Mass Spectrometry (CCMS) based technology as a powerful tool to biochemically identify and characterize c-di-GMP binding proteins. This technique has previously been reported to be applicable to a wide range of organisms(1). Here we give a detailed description of the protocol that we utilize to probe such signaling components. As an example, we use Pseudomonas aeruginosa, an opportunistic pathogen in which c-di-GMP plays a critical role in virulence and biofilm control. CCMS identified 74% (38/51) of the known or predicted components of the c-di-GMP network. This study explains the CCMS procedure in detail, and establishes it as a powerful and versatile tool to identify novel components involved in small molecule signaling.

  8. Modeling deoxyribose radicals by neutralization-reionization mass spectrometry. Part 2. Preparation, dissociations, and energetics of 3-hydroxyoxolan-3-yl radical and cation.

    Science.gov (United States)

    Vivekananda, Shetty; Sadílek, Martin; Chen, Xiaohong; Adams, Luke E; Turecek, Frantisek

    2004-07-01

    The title radical (1) is generated in the gas-phase by collisional neutralization of carbonyl-protonated oxolan-3-one. A 1.5% fraction of 1 does not dissociate and is detected following reionization as survivor ions. The major dissociation of 1 (approximately 56%) occurs as loss of the hydroxyl H atom forming oxolan-3-one (2). The competing ring cleavages by O[bond]C-2 and C-4[bond]C-5 bond dissociations combined account for approximately 42% of dissociation and result in the formation of formaldehyde and 2-hydroxyallyl radical. Additional ring-cleavage dissociations of 1 resulting in the formation of C(2)H(3)O and C(2)H(4)O cannot be explained as occurring competitively on the doublet ground (X) electronic state of 1, but are energetically accessible from the A and higher electronic states accessed by vertical electron transfer. Exothermic protonation of 2 also produces 3-oxo-(1H)-oxolanium cation (3(+)) which upon collisional neutralization gives hypervalent 3-oxo-(1H)-oxolanium radical (3). The latter dissociates spontaneously by ring opening and expulsion of hydroxy radical. Experiment and calculations suggest that carbohydrate radicals incorporating the 3-hydroxyoxolan-3-yl motif will prefer ring-cleavage dissociations at low internal energies or upon photoexcitation by absorbing light at approximately 590 and approximately 400 nm.

  9. Charmonium dissociation cross sections and charmonium dissociation rates in hadronic matter

    CERN Document Server

    Liu, Feng-Rong; Xu, Xiao-Ming

    2016-01-01

    K*-charmonium dissociation reactions in hadronic matter are studied in the Born approximation, in the quark-interchange mechanism, and with a temperature-dependent quark potential. We obtain the temperature dependence of unpolarized cross sections for K*-charmonium dissociation reactions which produce charmed mesons and charmed strange mesons. We use the cross sections for charmonium dissociation in collisions with pion, rho meson, kaon, vector kaon, and eta meson to calculate dissociation rates of charmonium with the five types of mesons. Because of the temperature dependence of the meson masses, dissociation cross sections, and meson distribution functions, the charmonium dissociation rates generally increase with the increase of temperature and decrease with the increase of charmonium momentum from 2.2 GeV/c. We find that the first derivative of the dissociation rate with respect to the charmonium momentum is zero when the charmonium is at rest. While the eta + psi' and eta + chi_c dissociation reactions c...

  10. The Electron Capture Decay of 163-Ho to Measure the Electron Neutrino Mass with sub-eV Accuracy and Beyond

    CERN Document Server

    Gatti, Flavio; Lusignoli, Maurizio; Nucciotti, Angelo; Ragazzi, Stefano

    2012-01-01

    We have investigated the possibility of measuring the electron neutrino mass with sub-eV sensitivity by studying the electron capture decay of 163-Ho with cryogenic microcalorimeters. In this paper we will introduce an experiment's concept, discuss the technical requirements, and identify a roadmap to reach a sensitivity of 0.1 eV and beyond.

  11. Decoration of silicon nanostructures with copper particles for simultaneous selective capture and mass spectrometry detection of His-tagged model peptide.

    Science.gov (United States)

    Coffinier, Yannick; Kurylo, Ievgen; Drobecq, Hervé; Szunerits, Sabine; Melnyk, Oleg; Zaitsev, Vladimir N; Boukherroub, Rabah

    2014-10-21

    We present in this work a simple and fast preparation method of a new affinity surface-assisted laser/desorption ionization mass spectrometry (SALDI-MS) substrate based on silicon nanostructures decorated with copper particles. The silicon nanostructures were fabricated by the metal-assisted chemical etching (MACE) method. Then, superhydrophilic areas surrounded by superhydrophobic regions were formed through hydrosilylation reaction of 1-octadecene, followed by local degradation of the octadecyl layer. After that, copper particles were deposited in the hydrophilic areas by using the electroless method. We have demonstrated that these surfaces were able to perform high selective capture of model His-tag peptide even in a complex mixture such as serum solution. Then, the captured peptide was detected by mass spectrometry at a femtomolar level without the need of organic matrix.

  12. Towards Liquid Chromatography Time-Scale Peptide Sequencing and Characterization of Post-Translational Modifications in the Negative-Ion Mode Using Electron Detachment Dissociation Tandem Mass Spectrometry

    DEFF Research Database (Denmark)

    Kjeldsen, Frank; Hørning, Ole B; Jensen, Søren S

    2008-01-01

    Electron detachment dissociation (EDD) of peptide poly-anions is gentle towards post-translational modifications (PTMs) and produces predictable and interpretable fragment ion types (a., x ions). However, EDD is considered an inefficient fragmentation technique and has not yet been implemented...... coverage) were sequenced by both EDD and ECD. The relative small overlap of identified BSA peptides demonstrates the complementarity of the two dissociation modes. Phosphopeptide mixtures from three trypsin-digested phosphoproteins were subjected to LC-EDD-MS/MS resulting in the identification of five...

  13. Effect of metal cationization on the low-energy collision-induced dissociation of loganin, epi-loganin and ketologanin studied by electrospray ionization tandem mass spectrometry

    Science.gov (United States)

    Madhusudanan; Raj; Bhaduri

    2000-07-01

    The effect of alkali metal and silver cationization on the collision-induced dissociation (CID) of loganin (1), epi-loganin (2) and ketologanin (3) is discussed. Their protonated molecular ions fragment mainly by glycosidic cleavages. The epimeric pairs (1 and 2) show differences in the abundances of the resulting fragment ions. Lithium cationization induces new dissociation pathways such as the retro-Diels-Alder (RDA) fragmentation followed by rearrangement. Unlike the dissociation of protonated molecular ions, the dissociation of lithiated molecules also provides lithiated sugar fragments. The CID of dilithiated molecules is substantially different from that of the monolithiated precursors. RDA reaction appears to be favoured by the presence of the additional lithium atom in the molecule. In addition, other ring cleavages are also induced. The abundances of the various fragment ions are different in the CID spectra of the epimeric pairs. Extensive D labelling and (6)Li labelling experiments confirmed many of the ion structures proposed. The CID spectra of the sodiated ions are generally weaker, although similar to those of the corresponding lithiated species. Higher alkali metal ion (K(+), Rb(+) and Cs(+)) adducts generated only the corresponding metal ions as products of CID. Similar fragmentations were also observed in the CID of the [M + Ag](+) ions of these compounds, the epimeric pairs showing characteristic differences in their CID behaviour. Copyright 2000 John Wiley & Sons, Ltd.

  14. Molecular Dissociation Induced by Electron Collisions

    Science.gov (United States)

    Wolf, Andreas

    2009-05-01

    Free electrons can efficiently break molecules or molecular ions in low-energy collisions by the processes of dissociative recombination or attachment. These processes make slow electrons efficient chemical agents in many environments. For dissociative recombination, in particular, studies of the underlying reaction paths and mechanisms have become possible on a uniquely elementary level in recent years both for theory and experiment. On the experimental side, collisions can be prepared at resolved collision energies down to the meV (10 Kelvin) level, increasingly gaining control also over the initial molecular quantum level, and individual events are detected and kinematically analyzed by fast-beam coincidence fragment imaging. Experiments are reported from the ion cooler ring TSR in Heidelberg. Stored beams of molecular ions cooled in their external and internal degrees of freedom are collinearly merged with intense and cold electron beams from cryogenic GaAs photocathodes, recently shown to yield fast cooling of the center-of-mass motion also for heavy and correspondingly slow molecular ion beams. To reconstruct the molecular fragmentation events multiparticle imaging can now be used systematically with collision energies set a wide range, especially aiming at specific electron capture resonances. Thus, for CF^+ it is found that the electronic state of the C fragment (^3P or ^1D) switches resonantly when the collision energy is changed by only a small fraction. As a new powerful tool, an energy-sensitive multi-strip surface-barrier detector (EMU) has been set up to measure with near-unity efficiency the masses of all fragments together with their hit positions in high-multiplicity events. Among many uses, this device allows internal molecular excitations to be derived for individual chemical channels in polyatomic fragmentation. New results will be presented in particular on the breakup of the hydronium ion (D3O^+).

  15. Capturing Thoughts, Capturing Minds?

    DEFF Research Database (Denmark)

    Nielsen, Janni

    2004-01-01

    Think Aloud is cost effective, promises access to the user's mind and is the applied usability technique. But 'keep talking' is difficult, besides, the multimodal interface is visual not verbal. Eye-tracking seems to get around the verbalisation problem. It captures the visual focus of attention...

  16. An exploration of the influence of diagonal dissociation and moderate changes in speed on locomotor parameters in trotting horses

    Directory of Open Access Journals (Sweden)

    Sarah Jane Hobbs

    2016-06-01

    Full Text Available Background. Although the trot is described as a diagonal gait, contacts of the diagonal pairs of hooves are not usually perfectly synchronized. Although subtle, the timing dissociation between contacts of each diagonal pair could have consequences on gait dynamics and provide insight into the functional strategies employed. This study explores the mechanical effects of different diagonal dissociation patterns when speed was matched between individuals and how these effects link to moderate, natural changes in trotting speed. We anticipate that hind-first diagonal dissociation at contact increases with speed, diagonal dissociation at contact can reduce collision-based energy losses and predominant dissociation patterns will be evident within individuals. Methods. The study was performed in two parts: in the first 17 horses performed speed-matched trotting trials and in the second, five horses each performed 10 trotting trials that represented a range of individually preferred speeds. Standard motion capture provided kinematic data that were synchronized with ground reaction force (GRF data from a series of force plates. The data were analyzed further to determine temporal, speed, GRF, postural, mass distribution, moment, and collision dynamics parameters. Results. Fore-first, synchronous, and hind-first dissociations were found in horses trotting at (3.3 m/s ± 10%. In these speed-matched trials, mean centre of pressure (COP cranio-caudal location differed significantly between the three dissociation categories. The COP moved systematically and significantly (P = .001 from being more caudally located in hind-first dissociation (mean location = 0.41 ± 0.04 through synchronous (0.36 ± 0.02 to a more cranial location in fore-first dissociation (0.32 ± 0.02. Dissociation patterns were found to influence function, posture, and balance parameters. Over a moderate speed range, peak vertical forelimb GRF had a strong relationship with dissociation

  17. Sub-parts-per-billion determination of nitro-substituted polynuclear aromatic hydrocarbons in airborne particulate matter and soil by electron capture-Tandem mass spectrometry.

    Science.gov (United States)

    Vincenti, M; Minero, C; Pelizzetti, E; Fontana, M; De Maria, R

    1996-12-01

    A procedure for the determination of nitro-substiruted polynuclear aromatic hydrocarbons (nitro-PAH) on crude air-particulate and soil extracts is introduced. Elimination of purification and fractionation procedures was made possible by the use of both a selective ionization method, such as electron-capture chemical ionization, and a specific fragmentation process, in an experiment of tandem mass spectrometry (gas chromatography-electron capture tandem mass spectrometry). Different mass spectrometric procedures were compared. The best performance was observed when the nitro-PAH molecular ions [M](-) were mass-selected by the first analyzer under multiple reaction monitoring conditions and then fragmented to NO 2 (-) (m/z 46). Detection limits were on the order of hundreds of femtograms, as determined in extracts of real environmental samples. This corresponds approximately to 5-15 pg of nitro-PAH per cubic meter of air sampled. Calibration curves were linear over 3 orders of magnitude. Applications to contamination from motor vehicle combustion and the iron industry are briefly discussed.

  18. Estimation of the Centre of Mass From Motion Capture and Force Plate Recordings: A Study on the Elderly

    Directory of Open Access Journals (Sweden)

    S. Cotton

    2011-01-01

    Full Text Available The estimation of the centre of mass position in humans is usually based on biomechanical models developed from anthropometric tables. This method can potentially introduce errors in studies involving elderly people, since the ageing process is typically associated with a modification of the distribution of the body mass. In this paper, an alternative technique is proposed, and evaluated with an experimental study on 9 elderly volunteers. The technique is based on a virtual chain, identified from experimental data and locating the subject's centre of mass. Its configuration defines the location of the centre of mass, and is a function of the anatomical joint angles measured on the subject. This method is a valuable investigation tool in the field of geronto-technology, since it overcomes some of the problems encountered with other CoM estimation methods.

  19. Validation of a Liquid Chromatography Tandem Mass Spectrometry Method for Targeted Degradation Compounds of Ethanolamine Used in CO2 Capture: Application to Real Samples

    Directory of Open Access Journals (Sweden)

    Cuzuel Vincent

    2014-09-01

    Full Text Available In the field of greenhouse gas emission, a promising approach consists in CO2 storage and capture. However most of the processes are based on amine solutions which are likely to degrade and produce potentially harmful compounds. So there is a need for analytical methods to identify and quantify these products. Monoethanolamine was used as a model compound for the amines used for CO2 capture. A liquid chromatography tandem mass spectrometry method was developed and validated for the quantification of six products of degradation of monoethanolamine (Glycine, N-(2-hydroxyethylglycine, N-glycylglycine, bicine, N,N′-bis-(2-hydroxyethyl urea (BHE Urea, and diethanolamine that were systematically detected with a LC-MS Scan method in real samples from CO2 capture and storage processes. The main difficulty of this study and its originality ly in the strategy developed to overcome the complexity of the matrix which is a mix of water and amine (70/30: the combined use of deuterated internal standards and a recent chemiometric approach to validate the method, i.e. the accuracy profile. For five compounds it was possible to validate the method with acceptance limits of 20%. This method was then successfully applied to real samples from pilot plant and lab-scale experiments.

  20. Precision Mass Measurements of 129-131Cd and Their Impact on Stellar Nucleosynthesis via the Rapid Neutron Capture Process

    CERN Document Server

    Atanasov, D; Blaum, K; Cakirli, R B; Cocolios, T E; George, S; Herfurth, F; Kisler, D; Kowalska, M; Kreim, S; Litvinov, Yu A; Lunney, D; Manea, V; Neidherr, D; Rosenbusch, M; Schweikhard, L; Welker, A; Wienholtz, F; Wolf, R N; Zuber, K

    2015-01-01

    Masses adjacent to the classical waiting-point nuclide 130Cd have been measured by using the Penning- trap spectrometer ISOLTRAP at ISOLDE/CERN. We find a significant deviation of over 400 keV from earlier values evaluated by using nuclear beta-decay data. The new measurements show the reduction of the N = 82 shell gap below the doubly magic 132Sn. The nucleosynthesis associated with the ejected wind from type-II supernovae as well as from compact object binary mergers is studied, by using state-of-the-art hydrodynamic simulations. We find a consistent and direct impact of the newly measured masses on the calculated abundances in the A = 128 - 132 region and a reduction of the uncertainties from the precision mass input data.

  1. On collisional capture rates of irregular satellites around the gas-giant planets and the minimum mass of the solar nebula

    Science.gov (United States)

    Koch, F. Elliott; Hansen, Bradley M. S.

    2011-09-01

    We investigate the probability that an inelastic collision of planetesimals within the Hill sphere of the Jovian planets could explain the presence and orbits of observed irregular satellites. Capture of satellites via this mechanism is highly dependent on not only the mass of the protoplanetary disc, but also the shape of the planetesimal size distribution. We performed 2000 simulations for integrated time intervals ˜2 Myr and found that, given the currently accepted value for the minimum mass solar nebula and planetesimal number density based upon the Nesvorný et al. and Charnoz & Morbidelli size distribution dN˜D-3.5dD, the collision rates for the different Jovian planets range between ˜0.6 and ≳170 Myr-1 for objects with radii 1 km ≤r≤ 10 km. Additionally, we found that the probability that these collisions remove enough orbital energy to yield a bound orbit was ≲10-5 and had very little dependence on the relative size of the planetesimals. Of these collisions, the collision energy between two objects was ≳103 times the gravitational binding energy for objects with radii ˜100 km. We find that capturing irregular satellites via collisions between unbound objects can only account for ˜0.1 per cent of the observed population, hence this cannot be the sole method of producing irregular satellites.

  2. Comparison of collision-induced dissociation and electron-induced dissociation of phillyrin using FT-ICR MS

    Science.gov (United States)

    Lin, Zhenguang; Lin, Zhiwei; Mu, Yingdi; Yan, Dong

    2016-10-01

    Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry using collision-induced dissociation (CID) and electron capture dissociation (ECD) at high mass resolution was first applied to investigate the characteristic fragment ions of phillyrin. The CID experimental results demonstrated the elemental composition of fragment ions unambiguously, so a reasonable fragmentation pathway of phillyrin was proposed. The ECD fragmentation mechanism was believed to be fundamentally different from the CID method. ECD could be used not only in the biological field but also as a powerful complement to the structural identification of small molecular compounds. The characteristic fragmentation pathways were helpful in analyzing and interpreting the stability and property of the parent ion. The ESI FT-ICR MS using CID and ECD methods was applied to investigate the characteristic fragment ions of Phillyrin for the first time. The fragmentation process of phillyrin which formation of the peroxide bond by CID, was discussed in detail. These characteristic fragmentation pathways were helpful to analyze and interpret the stability and property of the parent ion. It was clearly demonstrated that ECD can be not only used to Biological field but also a powerful complement to the structure identification of small molecules.

  3. Isotherm-Based Thermodynamic Models for Solute Activities of Organic Acids with Consideration of Partial Dissociation.

    Science.gov (United States)

    Nandy, Lucy; Ohm, Peter B; Dutcher, Cari S

    2016-06-23

    Organic acids make up a significant fraction of the organic mass in atmospheric aerosol particles. The calculation of gas-liquid-solid equilibrium partitioning of the organic acid is therefore critical for accurate determination of atmospheric aerosol physicochemical properties and processes such as new particle formation and activation to cloud condensation nuclei. Previously, an adsorption isotherm-based statistical thermodynamic model was developed for capturing solute concentration-activity relationships for multicomponent aqueous solutions over the entire concentration range (Dutcher et al. J. Phys. Chem. C/A 2011, 2012, 2013), with model parameters for energies of adsorption successfully related to dipole-dipole electrostatic forces in solute-solvent and solvent-solvent interactions for both electrolytes and organics (Ohm et al. J. Phys. Chem. A 2015). However, careful attention is needed for weakly dissociating semivolatile organic acids. Dicarboxylic acids, such as malonic acid and glutaric acid are treated here as a mixture of nondissociated organic solute (HA) and dissociated solute (H(+) + A(-)). It was found that the apparent dissociation was greater than that predicted by known dissociation constants alone, emphasizing the effect of dissociation on osmotic and activity coefficient predictions. To avoid additional parametrization from the mixture approach, an expression was used to relate the Debye-Hückel hard-core collision diameter to the adjustable solute-solvent intermolecular distance. An improved reference state treatment for electrolyte-organic aqueous mixtures, such as that observed here with partial dissociation, has also been proposed. This work results in predictive correlations for estimation of organic acid and water activities for which there is little or no activity data.

  4. Mass spectrometry-based sequencing of protein C-terminal peptide using α-carboxyl group-specific derivatization and COOH capturing.

    Science.gov (United States)

    Nakajima, Chihiro; Kuyama, Hiroki; Tanaka, Koichi

    2012-09-15

    An approach to mass spectrometry (MS)-based sequence analysis of selectively enriched C-terminal peptide from protein is described. This approach employs a combination of the specific derivatization of α-carboxyl group (α-COOH), enzymatic proteolysis using endoproteinase GluC, and enrichment of C-terminal peptide through the use of COOH-capturing material. Highly selective derivatization of α-COOH was achieved by a combination of specific activation of α-COOH through oxazolone chemistry and amidation using 3-aminopropyltris-(2,4,6-trimethoxyphenyl)phosphonium bromide (TMPP-propylamine). This amine component was used to simplify fragmentation in tandem mass spectrometry (MS/MS) measurement, which facilitated manual sequence interpretation. The peptides produced after GluC digestion were then treated with a COOH scavenger to enrich the C-terminal peptide that is only devoid of COOH groups, and the obtained C-terminal peptide was readily sequenced by matrix-assisted laser desorption/ionization (MALDI)-MS/MS due to the TMPP mass tag.

  5. Profiling of methyltransferases and other S-adenosyl-L-homocysteine-binding Proteins by Capture Compound Mass Spectrometry (CCMS).

    Science.gov (United States)

    Lenz, Thomas; Poot, Peter; Gräbner, Olivia; Glinski, Mirko; Weinhold, Elmar; Dreger, Mathias; Köster, Hubert

    2010-12-20

    There is a variety of approaches to reduce the complexity of the proteome on the basis of functional small molecule-protein interactions such as affinity chromatography (1) or Activity Based Protein Profiling (2). Trifunctional Capture Compounds (CCs, Figure 1A) (3) are the basis for a generic approach, in which the initial equilibrium-driven interaction between a small molecule probe (the selectivity function, here S-adenosyl-(L)-homocysteine, SAH, Figure 1A) and target proteins is irreversibly fixed upon photo-crosslinking between an independent photo-activable reactivity function (here a phenylazide) of the CC and the surface of the target proteins. The sorting function (here biotin) serves to isolate the CC - protein conjugates from complex biological mixtures with the help of a solid phase (here streptavidin magnetic beads). Two configurations of the experiments are possible: "off-bead" (4) or the presently described "on-bead" configuration (Figure 1B). The selectivity function may be virtually any small molecule of interest (substrates, inhibitors, drug molecules). S-Adenosyl-(L)-methionine (SAM, Figure 1A) is probably, second to ATP, the most widely used cofactor in nature (5, 6). It is used as the major methyl group donor in all living organisms with the chemical reaction being catalyzed by SAM-dependent methyltransferases (MTases), which methylate DNA (7), RNA (8), proteins (9), or small molecules (10). Given the crucial role of methylation reactions in diverse physiological scenarios (gene regulation, epigenetics, metabolism), the profiling of MTases can be expected to become of similar importance in functional proteomics as the profiling of kinases. Analytical tools for their profiling, however, have not been available. We recently introduced a CC with SAH as selectivity group to fill this technological gap (Figure 1A). SAH, the product of SAM after methyl transfer, is a known general MTase product inhibitor (11). For this reason and because the natural

  6. Simple setup for gas-phase h/d exchange mass spectrometry coupled to electron transfer dissociation and ion mobility for analysis of polypeptide structure on a liquid chromatographic time scale

    DEFF Research Database (Denmark)

    Mistarz, Ulrik Hvid; Brown, Jeffery M; Haselmann, Kim F

    2014-01-01

    inside a mass spectrometer immediately after ESI (gas-phase HDX-MS) and show utility for studying the primary and higher-order structure of peptides and proteins. HDX was achieved by passing N2-gas through a container filled with aqueous deuterated ammonia reagent (ND3/D2O) and admitting the saturated....../D2O as HDX reagent indicate that labeling is facilitated exclusively through gaseous ND3, yielding similar results to the infusion of purified ND3-gas, while circumventing the complications associated with the use of hazardous purified gases. Comparison of the solution-phase- and gas-phase deuterium...... separation or electron transfer dissociation, thus enabling multiple orthogonal analyses of the structural properties of peptides and proteins in a single automated LC-MS workflow....

  7. Dissociation: Cognitive capacity or dysfunction?

    NARCIS (Netherlands)

    de Ruiter, M.B.; Bernet, M.; Phaf, R.H.

    2006-01-01

    Dissociative experiences are mostly studied as a risk factor for dissociative pathology. Nonpathological dissociation is quite common in the general population, however, and may reflect a constitutionally determined cognitive style rather than a pathological trait acquired through the experience of

  8. An interplay between infrared multiphoton dissociation Fourier-transform ion cyclotron resonance mass spectrometry and density functional theory computations in the characterization of a tripodal quinolin-8-olate Gd(III) complex.

    Science.gov (United States)

    De Bonis, Margherita; Bianco, Giuliana; Amati, Mario; Belviso, Sandra; Cataldi, Tommaso R I; Lelj, Francesco

    2013-04-01

    A new hexadentate, tripodal 8-hydroxyquinoline based ligand (QH3) and its gadolinium(III) tris-chelated (GdQ) complex with hemicage structure was investigated by using high resolution Fourier-transform ion cyclotron resonance mass spectrometry (FTICRMS). The protonated adduct of the free ligand and its hemicage tripodal Gd(III) complex, [GdQ + H](+), were first observed in experiments of electrospray ionization (ESI) with a linear ion trap (LTQ) mass spectrometer and further investigated by using high resolution FTICRMS. Gas-phase dissociation of the protonated Gd(III) complex, by infrared multiphoton dissociation (IRMPD) FTICR MS, demonstrated a fragmentation pattern with six main product cluster ions labeled as [Fn](+) (n = 1 up to 6). These product ions suggest the elimination of 7-amino-alkyl or 7-alkyl chains of the hemicage moiety. High resolution MS conditions allowed the elucidation of the fragmentation pattern and product ion structures along with the determination, among the isotopic pattern of Gd, of the chemical compositions of closely related species, which differ in terms of hydrogen content. Among the Gd six naturally stable isotopes, (158)Gd is the most abundant, and its peak within each cluster was used as a reference for distinguishing each product ions. Computational DFT investigations were applied to give support to some hypothesis of fragmentation pathways, which could not have been easily justified on the basis of the experimental work. Furthermore, computational studies suggested the coordination geometry of the protonated parent complex and the five- and four-coordinated complexes, which derive from its fragmentation. Furthermore, experimental and computational evidences were collected about the octet spin state of the parent compound.

  9. A novel immuno-competitive capture mass spectrometry strategy for protein-protein interaction profiling reveals that LATS kinases regulate HCV replication through NS5A phosphorylation.

    Science.gov (United States)

    Meistermann, Hélène; Gao, Junjun; Golling, Sabrina; Lamerz, Jens; Le Pogam, Sophie; Tzouros, Manuel; Sankabathula, Sailaja; Gruenbaum, Lore; Nájera, Isabel; Langen, Hanno; Klumpp, Klaus; Augustin, Angélique

    2014-11-01

    Mapping protein-protein interactions is essential to fully characterize the biological function of a protein and improve our understanding of diseases. Affinity purification coupled to mass spectrometry (AP-MS) using selective antibodies against a target protein has been commonly applied to study protein complexes. However, one major limitation is a lack of specificity as a substantial part of the proposed binders is due to nonspecific interactions. Here, we describe an innovative immuno-competitive capture mass spectrometry (ICC-MS) method to allow systematic investigation of protein-protein interactions. ICC-MS markedly increases the specificity of classical immunoprecipitation (IP) by introducing a competition step between free and capturing antibody prior to IP. Instead of comparing only one experimental sample with a control, the methodology generates a 12-concentration antibody competition profile. Label-free quantitation followed by a robust statistical analysis of the data is then used to extract the cellular interactome of a protein of interest and to filter out background proteins. We applied this new approach to specifically map the interactome of hepatitis C virus (HCV) nonstructural protein 5A (NS5A) in a cellular HCV replication system and uncovered eight new NS5A-interacting protein candidates along with two previously validated binding partners. Follow-up biological validation experiments revealed that large tumor suppressor homolog 1 and 2 (LATS1 and LATS2, respectively), two closely related human protein kinases, are novel host kinases responsible for NS5A phosphorylation at a highly conserved position required for optimal HCV genome replication. These results are the first illustration of the value of ICC-MS for the analysis of endogenous protein complexes to identify biologically relevant protein-protein interactions with high specificity.

  10. Search for neutrinos from annihilation of captured low-mass dark matter particles in the Sun by Super-Kamiokande

    CERN Document Server

    :,; Abe, K; Haga, Y; Hayato, Y; Iyogi, K; Kameda, J; Kishimoto, Y; Miura, M; Moriyama, S; Nakahata, M; Nakano, Y; Nakayama, S; Sekiya, H; Shiozawa, M; Suzuki, Y; Takeda, A; Tomura, T; Wendell, R A; Irvine, T; Kajita, 2 T; Kametani, I; Kaneyuki, 2 K; Lee, K P; Nishimura, Y; Okumura, 2 K; McLachlan, T; Labarga, 2 L; Kearns, E; Raaf, J L; Stone, 4 J L; Sulak, L R; Berkman, 4 S; Tanaka, 5 H A; Tobayama, 5 S; Goldhaber, M; Carminati, G; Kropp, W R; Mine, S; Renshaw, A; Smy, M B; Sobel, H W; Ganezer, K S; Hill, J; Hong, N; Kim, J Y; Lim, I T; Akiri, T; Himmel, A; Scholberg, K; Walter, C W; Wongjirad, T; Ishizuka, T; Tasaka, S; Jang, J S; Learned, J G; Matsuno, S; Smith, S N; Hasegawa, T; Ishida, T; Ishii, T; Kobayashi, T; Nakadaira, T; Nakamura, K; Oyama, Y; Sakashita, K; Sekiguchi, T; Tsukamoto, T; Suzuki, A T; Takeuchi, Y; Bronner, C; Hirota, S; Huang, K; Ieki, K; Ikeda, M; Kikawa, T; Minamino, A; Nakaya, T; Suzuki, K; Takahashi, S; Fukuda, Y; Itow, Y; Mitsuka, G; Mijakowski, P; Hignight, J; Imber, J; Jung, C K; Yanagisawa, C; Ishino, H; Kibayashi, A; Koshio, Y; Mori, T; Sakuda, M; Yano, T; Kuno, Y; Tacik, R; Kim, S B; Okazawa, H; Choi, Y; Nishijima, K; Koshiba, M; Totsuka, Y; Yokoyama, M; Martin, J F; de Perio, P; Konaka, A; Wilking, M J; Chen, S; Zhang, Y; Wilkes, R J

    2015-01-01

    Super-Kamiokande (SK) can search for weakly interacting massive particles (WIMPs) by detecting neutrinos produced from WIMP annihilations occurring inside the Sun. In this analysis, we include neutrino events with interaction vertices in the detector in addition to upward-going muons produced in the surrounding rock. Compared to the previous result, which used the upward-going muons only, the signal acceptances for light (few-GeV/$c^2$ $\\sim$ 200-GeV/$c^2$) WIMPs are significantly increased. We fit 3903 days of SK data to search for the contribution of neutrinos from WIMP annihilation in the Sun. We found no significant excess over expected atmospheric-neutrino background and the result is interpreted in terms of upper limits on WIMP-nucleon elastic scattering cross sections under different assumptions about the annihilation channel. We set the current best limits on the spin-dependent (SD) WIMP-proton cross section for WIMP masses below 200 GeV/$c^2$ (at 10 GeV/$c^2$, 1.49$\\times 10^{-39}$ cm$^2$ for $\\chi\\c...

  11. The dissociative bond.

    Science.gov (United States)

    Gordon, Nirit

    2013-01-01

    Dissociation leaves a psychic void and a lingering sense of psychic absence. How do 2 people bond while they are both suffering from dissociation? The author explores the notion of a dissociative bond that occurs in the aftermath of trauma--a bond that holds at its core an understanding and shared detachment from the self. Such a bond is confined to unspoken terms that are established in the relational unconscious. The author proposes understanding the dissociative bond as a transitional space that may not lead to full integration of dissociated knowledge yet offers some healing. This is exemplified by R. Prince's (2009) clinical case study. A relational perspective is adopted, focusing on the intersubjective aspects of a dyadic relationship. In the dissociative bond, recognition of the need to experience mutual dissociation can accommodate a psychic state that yearns for relationship when the psyche cannot fully confront past wounds. Such a bond speaks to the need to reestablish a sense of human relatedness and connection when both parties in the relationship suffer from disconnection. This bond is bound to a silence that becomes both a means of protection against the horror of traumatic memory and a way to convey unspoken gestures toward the other.

  12. CO{sub 2} capture using fly ash-derived activated carbons impregnated with low molecular mass amines

    Energy Technology Data Exchange (ETDEWEB)

    Smith, K.M.; Arenillas, A.; Drage, T.C.; Snape, C.E. [University of Nottingham, Nottingham (United Kingdom). Nottingham Fuel and Energy Centre

    2005-07-01

    Two different approaches to develop high capacity CO{sub 2} sorbents are presented. Firstly, the modification of the surface chemistry of low cost carbons by impregnation with a basic nitrogen-containing polymer (i.e.polyethylenimine) is described. Relatively low molecular mass (MM) amines, namely diethanolamine (DEA, MM 105) and tetraethylenepentaamineacrylonitrile (TEPAN, MM 311) are used to produce high capacity CO{sub 2} sorbents from activated carbons derived from unburned carbon in fly ash, which have low mesoporosities. The CO{sub 2} adsorption capacity and thermal stability of the prepared sorbents was measured as a function of temperature in a thermogravimetric analyser. The results indicate that TEPAN is more effective than DEA; at a temperature of 75{sup o}C, fly ash-derived activated carbons loaded with TEPAN achieved CO{sub 2} adsorption capacities in excess of 5 wt%, which compares fabvourably with the CO{sub 2} absorption capacity of 6.5 wt% achieved with a mesoporous silica loaded with TEPAN, and outperforms fly ash-derived activated carbons loaded with PEI. TEPAN has also been shown to have a higher thermal stability than DEA. The second approach involves the development of high nitrogen content carbon matrix adsorbents by carbonisation and subsequent thermal or chemical activation of a range of materials (polyacrylonitrile, glucose-amine mixtures, melamine and urea/melamine-formaldehyde resins). The results show that although the amount of nitrogen incorporated to the final adsorbent is important, the N-functionality seems to be more relevant for increasing CO{sub 2} uptake. However, the adsorbent obtained from carbazole-sugar co-pyrolysis, despite the lower amount of N incorporated, shows high CO{sub 2} uptake, up to 9 wt%, probably because the presence of more basic functionalities as determined by XPS analysis. 9 refs., 2 figs.

  13. Coulomb dissociation studies for astrophysical thermonuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Motobayashi, T. [Dept. of Physics, Rikkyo Univ., Toshima, Tokyo (Japan)

    1998-06-01

    The Coulomb dissociation method was applied to several radiative capture processes of astrophysical interest. The method has an advantage of high experimental efficiency, which allow measurements with radioactive nuclear beams. The reactions {sup 13}N(p,{gamma}){sup 14}O and {sup 7}Be(p,{gamma}){sup 8}B are mainly discussed. They are the key reaction in the hot CNO cycle in massive stars and the one closely related to the solar neutrino problem, respectively. (orig.)

  14. Dissociative recombination in aeronomy

    Science.gov (United States)

    Fox, J. L.

    1989-01-01

    The importance of dissociative recombination in planetary aeronomy is summarized, and two examples are discussed. The first is the role of dissociative recombination of N2(+) in the escape of nitrogen from Mars. A previous model is updated to reflect new experimental data on the electronic states of N produced in this process. Second, the intensity of the atomic oxygen green line on the nightside of Venus is modeled. Use is made of theoretical rate coefficients for production of O (1S) in dissociative recombination from different vibrational levels of O2(+).

  15. Tandem mass spectrometry of human tryptic blood peptides calculated by a statistical algorithm and captured by a relational database with exploration by a general statistical analysis system.

    Science.gov (United States)

    Bowden, Peter; Beavis, Ron; Marshall, John

    2009-11-02

    A goodness of fit test may be used to assign tandem mass spectra of peptides to amino acid sequences and to directly calculate the expected probability of mis-identification. The product of the peptide expectation values directly yields the probability that the parent protein has been mis-identified. A relational database could capture the mass spectral data, the best fit results, and permit subsequent calculations by a general statistical analysis system. The many files of the Hupo blood protein data correlated by X!TANDEM against the proteins of ENSEMBL were collected into a relational database. A redundant set of 247,077 proteins and peptides were correlated by X!TANDEM, and that was collapsed to a set of 34,956 peptides from 13,379 distinct proteins. About 6875 distinct proteins were only represented by a single distinct peptide, 2866 proteins showed 2 distinct peptides, and 3454 proteins showed at least three distinct peptides by X!TANDEM. More than 99% of the peptides were associated with proteins that had cumulative expectation values, i.e. probability of false positive identification, of one in one hundred or less. The distribution of peptides per protein from X!TANDEM was significantly different than those expected from random assignment of peptides.

  16. Probing the Conformational and Functional Consequences of Disulfide Bond Engineering in Growth Hormone by Hydrogen-Deuterium Exchange Mass Spectrometry Coupled to Electron Transfer Dissociation

    DEFF Research Database (Denmark)

    Seger, Signe T; Breinholt, Jens; Faber, Johan H

    2015-01-01

    Human growth hormone (hGH), and its receptor interaction, is essential for cell growth. To stabilize a flexible loop between helices 3 and 4, while retaining affinity for the hGH receptor, we have engineered a new hGH variant (Q84C/Y143C). Here, we employ hydrogen-deuterium exchange mass spectrom...

  17. Covalent attachment and dissociative loss of sinapinic acid to/from cysteine-containing proteins from bacterial cell lysates analyzed by MALDI-TOF-TOF mass spectrometry

    Science.gov (United States)

    Portions of this work were presented earlier as an oral presentation on June 2nd 2009 at the 57th American Society of Mass Spectrometry Conference (May 31-June 4, 2009, Philadelphia, PA). We report covalent attachment via a thiol ester linkage of 3,5-dimethoxy-4-hydroxycinnamic acid (sinapinic acid...

  18. Proteomic analysis of prolactinoma cells by immuno-laser capture microdissection combined with online two-dimensional nano-scale liquid chromatography/mass spectrometry

    Directory of Open Access Journals (Sweden)

    Chen Luping

    2010-01-01

    Full Text Available Abstract Background Pituitary adenomas, the third most common intracranial tumor, comprise nearly 16.7% of intracranial neoplasm and 25%-44% of pituitary adenomas are prolactinomas. Prolactinoma represents a complex heterogeneous mixture of cells including prolactin (PRL, endothelial cells, fibroblasts, and other stromal cells, making it difficult to dissect the molecular and cellular mechanisms of prolactin cells in pituitary tumorigenesis through high-throughout-omics analysis. Our newly developed immuno-laser capture microdissection (LCM method would permit rapid and reliable procurement of prolactin cells from this heterogeneous tissue. Thus, prolactin cell specific molecular events involved in pituitary tumorigenesis and cell signaling can be approached by proteomic analysis. Results Proteins from immuno-LCM captured prolactin cells were digested; resulting peptides were separated by two dimensional-nanoscale liquid chromatography (2D-nanoLC/MS and characterized by tandem mass spectrometry. All MS/MS spectrums were analyzed by SEQUEST against the human International Protein Index database and a specific prolactinoma proteome consisting of 2243 proteins was identified. This collection of identified proteins by far represents the largest and the most comprehensive database of proteome for prolactinoma. Category analysis of the proteome revealed a widely unbiased access to various proteins with diverse functional characteristics. Conclusions This manuscript described a more comprehensive proteomic profile of prolactinomas compared to other previous published reports. Thanks to the application of immuno-LCM combined with online two-dimensional nano-scale liquid chromatography here permitted identification of more proteins and, to our best knowledge, generated the largest prolactinoma proteome. This enlarged proteome would contribute significantly to further understanding of prolactinoma tumorigenesis which is crucial to the management of

  19. Capture reactions

    NARCIS (Netherlands)

    Endt, P.M.

    1956-01-01

    Capture reactions will be considered here from the viewpoint of the nuclear spectroscopist. Especially important to him are the capture of neutrons, protons, and alpha particles, which may proceed through narrow resonances, offering a well defined initial state for the subsequent deexcitation proces

  20. Control of radioactive wastes and coupling of neutron/gamma measurements: use of radiative capture for the correction of matrix effects that penalize the fissile mass measurement by active neutron interrogation; Controle des dechets radioactifs et couplage de mesures neutron/gamma: exploitation de la capture radiative pour corriger les effets de matrice penalisant la mesure de la masse fissile par interrogation neutronique active

    Energy Technology Data Exchange (ETDEWEB)

    Loche, F

    2006-10-15

    In the framework of radioactive waste drums control, difficulties arise in the nondestructive measurement of fissile mass ({sup 235}U, {sup 239}Pu..) by Active Neutron Interrogation (ANI), when dealing with matrices containing materials (Cl, H...) influencing the neutron flux. The idea is to use the neutron capture reaction (n,{gamma}) to determine the matrix composition to adjust the ANI calibration coefficient value. This study, dealing with 118 litres, homogeneous drums of density less than 0,4 and composed of chlorinated and/or hydrogenated materials, leads to build abacus linking the {gamma} ray peak areas to the ANI calibration coefficient. Validation assays of these abacus show a very good agreement between the corrected and true fissile masses for hydrogenated matrices (max. relative standard deviation: 23 %) and quite good for chlorinated and hydrogenated matrices (58 %). The developed correction method improves the measured values. It may be extended to 0,45 density, heterogeneous drums. (author)

  1. Application of positive and negative electrospray ionization, collision-induced dissociation and tandem mass spectrometry to a study of the fragmentation of 6-hydroxyluteolin 7-O-glucoside and 7-O-glucosyl-(1 --> 3)-glucoside.

    Science.gov (United States)

    Es-Safi, Nour-Eddine; Kerhoas, Lucien; Ducrot, Paul-Henri

    2005-01-01

    Mass spectrometric methodology based on the combined use of positive and negative electrospray ionization, collision-induced dissociation (CID) and tandem mass spectrometry (MS/MS) has been applied to the structural characterization of 6-hydroxyluteolin 7-O-glucoside and 7-O-glucosyl-(1 --> 3)-glucoside. In-source fragmentation of both glycosides at an increased potential yielded the protonated and deprotonated aglycone, allowing CID spectra to be obtained. The differentiation between quercetin and 6-hydroxyluteolin aglycones was achieved by product ion analysis of the protonated and deprotonated aglycone (m/z 303 and 301), that showed the characteristic product ions (1,3)A at m/z 151 and 153 for quercetin, and m/z 167 and 169 for 6-hydroxyluteolin, consistent with the trihydroxylated A-ring skeleton. In the negative ion mode both glycosides were shown to undergo collision-induced homolytic and heterolytic cleavages of the O-glycosidic bond producing the aglycone radical-anion [Y0-H]-* and Y0(-) product ions. At lower collision energy, various fragmentations involving the glucose moieties were observed with a relatively higher abundance for the monoglucoside compared to the diglucoside. In the latter case both the inner and the terminal glucose residues were involved in the fragmentations, giving useful information on the 1 --> 3 interglycosidic linkage. CID MS/MS analysis of the sodiated molecules gave complementary information for the structural characterization of the studied compounds. Fragmentation mechanisms are proposed for the observed product ions.

  2. Nucleon-XcJ Dissociation Cross Sections

    Institute of Scientific and Technical Information of China (English)

    冯又层; 许晓明; 周代翠

    2002-01-01

    Nucleon-XcJ dissociation cross sections are calculated in a constituent interexchange model in which quark-quark potential is derived from the Buchmüller-Tye quark-anti-quark potential. These new cross sections for dominant reaction channels depend on the centre-of-mass energy of the nucleon and the charmonium.

  3. Development of Thermal Dissociation Atmospheric Chemical Ionization Source for Rapid Mass Spectrometric Analysis of Ambient Samples%常压热解离化学电离源的研制及表征

    Institute of Scientific and Technical Information of China (English)

    韩京; 李建强; 张燮; 胡斌; 罗明标; 陈焕文

    2011-01-01

    A novel thermal dissociation atmospheric chemical ionization source (TDCI) was developed for rapid chemical ionization of ambient analytes in complex matrices. By coupling the TDCI source to a commercial LTQ XL mass spectrometer, the dissociation of chemical reagents such as ionic liquids was systematically investigated using multiple-stage mass spectrometric experiments. The primary ions generated through the thermal dissociation process of the ionic liquids were accelerated by the high voltage applied on the repelling electrode of the TDCI source, and then reacted with the analytes present in the matrices of the raw samples to produce ions of analytes, which were then guided to the LTQ instrument for mass analysis. The construction of the TDCI source was detailed in the text. The effects of the experimental parameters such as the pyrolysis temperature, the distance, and the angles formed between the electrodes were experimentally studied using the signals of characteristic fragments of the ionic liquid. Under the optimal experimental parameters, TDCI was able to directly ionize a wide variety of compounds, including the poplar (e.g., amino acids, doping compounds) and non-polar chemicals (e.g, naphthalene) for sensitive detection using LTQ-MS, without any sample pretreatment. The average time for a single sample analysis was less than 30 s, and the relative standard deviation of the method was in the range of 5.9%- 11.1 %; the LOD for naphthalene was estimated to be 2.93 × 10-7 g/L.%自行研制了常压热解离化学电离源(TDCI),与商品化LTQ XL质谱仪成功联用,进一步考察了TDCI的性能,并对其应用领域进行了初步探索.TDCI-MS/MS谱图表明,离子液体可在现有实验条件下产生特征离子碎片;升高TDCI源偏置电压和温度,可以提高离子液体的信号强度.基于优化后的实验参数,常压热解离化学电离质谱方法(TDCI-MS)可以有效检测沙丁胺醇和萘等极性与非极性物质.本方法

  4. Phenol soluble modulin (PSM) variants of community-associated methicillin-resistant Staphylococcus aureus (MRSA) captured using mass spectrometry-based molecular networking.

    Science.gov (United States)

    Gonzalez, David J; Vuong, Lisa; Gonzalez, Isaiah S; Keller, Nadia; McGrosso, Dominic; Hwang, John H; Hung, Jun; Zinkernagel, Annelies; Dixon, Jack E; Dorrestein, Pieter C; Nizet, Victor

    2014-05-01

    Molecular genetic analysis indicates that the problematic human bacterial pathogen methicillin-resistant Staphylococcus aureus possesses more than 2000 open reading frames in its genome. This number of potential gene products, coupled with intrinsic mechanisms of posttranslational modification, endows methicillin-resistant Staphylococcus aureus with a highly complex biochemical repertoire. Recent proteomic and metabolomic advances have provided methodologies to better understand and characterize the biosynthetic factors released by microbial organisms. Here, the emerging tool of mass spectrometry-based molecular networking was used to visualize and map the repertoire of biosynthetic factors produced by a community-associated methicillin-resistant Staphylococcus aureus strain representative of the epidemic USA300 clone. In particular, the study focused on elucidating the complexity of the recently discovered phenol soluble modulin family of peptides when placed under various antibiotic treatment stresses. Novel PSM truncated variant peptides were captured, and the type of variants that were clustered by the molecular networks platform changed in response to the different antibiotic treatment conditions. After discovery, a group of the peptides were selected for functional analysis in vitro. The peptides displayed bioactive properties including the ability to induce proinflammatory responses in human THP-1 monocytes. Additionally, the tested peptides did not display antimicrobial activity as previously reported for other phenol soluble modulin truncated variants. Our findings reveal that the PSM family of peptides are quite structurally diverse, and suggest a single phenol soluble modulin parent peptide can functionally spawn differential bioactivities in response to various external stimuli.

  5. Suitability of magnetic particle immunoassay for the analysis of PBDEs in Hawaiian freshwater fish and crabs in comparison with gas chromatography/electron capture detection-ion trap mass spectrometry

    Science.gov (United States)

    A gas chromatograph/electron capture detector-ion trap mass spectrometer (GC/ECD-ITMS) was used for the determination of polybrominated diphenyl ethers (PBDEs) in freshwater fish and crabs. The samples were also analyzed with an enzyme-linked immunosorbent assay (ELISA). GC/ECD-ITMS results showed...

  6. Identification of O-diglycosyl flavanones in Fructus aurantii by liquid chromatography with electrospray ionization and collision-induced dissociation mass spectrometry.

    Science.gov (United States)

    Zhou, Da-Yong; Xu, Qing; Xue, Xin-Ya; Zhang, Fei-Fang; Liang, Xin-Miao

    2006-10-11

    This study reported the application of LC-ESI/MS method to characterize O-diglycosyl flavanones of traditional Chinese medicine Fructus aurantii(Zhiqiao) and UPLC retention parameters method to expatiate the structure-retention relationship of these O-diglycosyl flavanones. The extract of F. aurantii was found containing neoeriocitrin, isonaringin, naringin, hesperidin, neohesperidin and neoponcirin. Tandem mass spectrometric method has been utilized to elucidate structure and differentiate the interglycosidic linkage of isomeric O-diglycosyl flavanones. Based on the relative abundance of fragments formed by fragmentation at glycosidic bonds in positive ion mode and CID MS spectra of deprotonated molecule [M-H](-) in negative ion mode, the interglycosidic linkage of O-diglycosyl flavanones (flavonoid O-neohesperidosides and O-rutinosides, 1,2- and 1,6-) can be unambiguously differentiated. UPLC and a CSASS software were performed to obtain the retention parameters a, c and k values of these compounds. The Deltaa, Deltac and alpha values within compound pair naringin to neoriocitrin, neoponcirin to neohesperidin, naringin to isonaringin, neohesperidin to hesperidin, hesperidin to isonaringin, neohesperidin to naringin were calculated. We found there were some relationship between structure and retention parameters.

  7. Liquid chromatography coupled with ultraviolet absorbance detection, electrospray ionization, collision-induced dissociation and tandem mass spectrometry on a triple quadrupole for the on-line characterization of polyphenols and methylxanthines in green coffee beans.

    Science.gov (United States)

    Alonso-Salces, Rosa Maria; Guillou, Claude; Berrueta, Luis A

    2009-02-01

    Liquid chromatography coupled with a photodiode array detector, electrospray ionization, collision-induced dissociation and tandem mass spectrometry (LC-DAD/ESI-CID-MS/MS) on a triple quadrupole (QqQ) has been used to detect and characterize polyphenols and methylxanthines in green coffee beans: three phenolic acids (caffeic acid, ferulic acid and dimethoxycinnamic acid), three isomeric caffeoylquinic acids (M(r) 354), three feruloylquinic acids (M(r) 368), one p-coumaroylquinic acid (M(r) 338), three dicaffeoylquinic acids (M(r) 516), three feruloyl-caffeoylquinic acids (M(r) 530), four p-coumaroyl-caffeoylquinic acids (M(r) 500), three diferuloylquinic acids (M(r) 544), six dimethoxycinnamoyl-caffeoylquinic acids (M(r) 544), three dimethoxycinnamoyl-feruloylquinic acids (M(r) 558), six cinnamoyl-amino acid conjugates, three cinnamoyl glycosides, and three methylxanthines (caffeine, theobromine and theophylline). Dimethoxycinnamic acid, three isomers of dimethoxycinnamoyl-caffeoylquinic acids and another three of dimethoxycinnamoyl-feruloylquinic acids, as well as the three cinnamoyl glycosides, had not previously been reported in coffee beans. Structures have been assigned on the basis of the complementary information obtained from UV-visible spectra, relative hydrophobicity, scan mode MS spectra, and fragmentation patterns in MS(2) spectra (both in the positive and negative ion modes) obtained using a QqQ at different collision energies. A structure diagnosis scheme is provided for the identification of different isomers of polyphenols and methylxanthines.

  8. Towards understanding the tandem mass spectra of protonated oligopeptides. 2: The proline effect in collision-induced dissociation of protonated Ala-Ala-Xxx-Pro-Ala (Xxx = Ala, Ser, Leu, Val, Phe, and Trp).

    Science.gov (United States)

    Bleiholder, Christian; Suhai, Sándor; Harrison, Alex G; Paizs, Béla

    2011-06-01

    The product ion spectra of proline-containing peptides are commonly dominated by y(n) ions generated by cleavage at the N-terminal side of proline residues. This proline effect is investigated in the current work by collision-induced dissociation (CID) of protonated Ala-Ala-Xxx-Pro-Ala (Xxx includes Ala, Ser, Leu, Val, Phe, and Trp) in an electrospray/quadrupole/time-of-flight (QqTOF) mass spectrometer and by quantum chemical calculations on protonated Ala-Ala-Ala-Pro-Ala. The CID spectra of all investigated peptides show a dominant y(2) ion (Pro-Ala sequence). Our computational results show that the proline effect mainly arises from the particularly low threshold energy for the amide bond cleavage N-terminal to the proline residue, and from the high proton affinity of the proline-containing C-terminal fragment produced by this cleavage. These theoretical results are qualitatively supported by the experimentally observed y(2)/b(3) abundance ratios for protonated Ala-Ala-Xxx-Pro-Ala (Xxx = Ala, Ser, Leu, Val, Phe, and Trp). In the post-cleavage phase of fragmentation the N-terminal oxazolone fragment with the Ala-Ala-Xxx sequence and Pro-Ala compete for the ionizing proton for these peptides. As the proton affinity of the oxazolone fragment increases, the y(2)/b(3) abundance ratio decreases.

  9. Online coupling of high-resolution chromatography with extreme UV photon activation tandem mass spectrometry: Application to the structural investigation of complex glycans by dissociative photoionization

    Energy Technology Data Exchange (ETDEWEB)

    Ropartz, David, E-mail: David.Ropartz@nantes.inra.fr [INRA, UR1268 Biopolymers Interactions Assemblies F-44316 Nantes (France); Giuliani, Alexandre [Synchrotron SOLEIL, L' Orme des Merisiers, F-91190 Gif-sur-Yvette (France); UAR 1008 CEPIA, INRA, F-44316 Nantes (France); Fanuel, Mathieu [INRA, UR1268 Biopolymers Interactions Assemblies F-44316 Nantes (France); Hervé, Cécile; Czjzek, Mirjam [Sorbonne Universités, Université Pierre et Marie Curie, Paris VI, CNRS, Integrative Biology of Marine Models, UMR 8227, Station Biologique, Place George Teissier, F29688 Roscoff Cedex (France); Rogniaux, Hélène [INRA, UR1268 Biopolymers Interactions Assemblies F-44316 Nantes (France)

    2016-08-24

    The activation of ions by extreme-energy photons (XUV) produced by a synchrotron radiation beamline is a powerful method for characterizing complex glycans using tandem mass spectrometry (MS). As previously described, this activation method leads to rich fragmentation spectra with many structurally valuable cross-ring cleavages while maintaining labile modifications on the glycan structures. However, until now, the tandem MS event was too long to be compatible with liquid chromatography elution times. In this work, the duty cycle of the activation and detection of fragments was shortened, and the background signal on the spectra was drastically reduced. Both improvements allowed, for the first time, the successful coupling of a UHPLC system to XUV-activated tandem MS. The approach was used to characterize a complex mixture of oligo-porphyrans, which are a class of highly sulfated oligosaccharides, in a fully automated way. Due to an enhanced dynamic range and an increased sensitivity, some hypothetical structures of low abundance have been unequivocally confirmed in this study and others have been revised. Some previously undescribed species of oligo-porphyrans that exhibit lateral branching have been fully resolved. This work contributes to the scarce knowledge of the structure of porphyrans in red algae and pushes the current capacities of XUV-activation tandem MS by demonstrating the possibility of a direct coupling with UHPLC. This study will considerably broaden the applicability and practicality of this method in many fields of analytical biology. - Highlights: • For the first time, XUV photon activation tandem MS was coupled to UHPLC. • The approach was used to characterize a complex mixture of biomolecules. • The MSMS duty cycle was compatible with elution times of UHPLC without compromised. • Minor species were characterized with an enhanced sensitivity and dynamic range. • These results broaden the application of the technique in many field of

  10. Reduction of in-source collision-induced dissociation and thermolysis of sulopenem prodrugs for quantitative liquid chromatography/electrospray ionization mass spectrometric analysis by promoting sodium adduct formation.

    Science.gov (United States)

    Wujcik, Chad E; Kadar, Eugene P

    2008-10-01

    Six chromatographically resolved sulopenem prodrugs were monitored for their potential to undergo both in-source collision-induced dissociation (CID) and thermolysis. Initial Q1 scans for each prodrug revealed the formation of intense [Prodrug2 + H]+, [Prodrug2 + Na]+, [Prodrug + Na]+, and [Sulopenem + Na]+ ions. Non-adduct-associated sulopenem ([Sulopenem + H]+) along with several additional lower mass ions were also observed. Product ion scans of [Prodrug3 + Na]+ showed the retention of the sodium adduct in the collision cell continuing down to opening of the beta-lactam ring. In-source CID and temperature experiments were conducted under chromatographic conditions while monitoring several of the latter ion transitions (i.e., adducts, dimers and degradants/fragments) for a given prodrug. The resulting ion profiles indicated the regions of greatest stability for temperature and declustering potential (DP) that provided the highest signal intensity for each prodrug and minimized in-source degradation. The heightened stability of adduct ions, relative to their appropriate counterpart (i.e., dimer to dimer adduct and prodrug to prodrug adduct ions), was observed under elevated temperature and DP conditions. The addition of 100 microM sodium to the mobile phase further enhanced the formation of these more stable adduct ions, yielding an optimal [Prodrug + Na]+ ion signal at temperatures from 400 to 600 degrees C. A clinical liquid chromatography/tandem mass spectrometry (LC/MS/MS) assay for sulopenem prodrug PF-04064900 in buffered whole blood was successfully validated using sodium-fortified mobile phase and the [PF-04064900 + Na]+ ion for quantitation. A conservative five-fold increase in sensitivity from previously validated preclinical assays using the [PF-04064900 + H]+ precursor ion was achieved.

  11. Sexuality of dissocial persons

    Directory of Open Access Journals (Sweden)

    Marta Janus

    2016-02-01

    Full Text Available Introduction. The development of personality disorders as well as sexual disorders is defined by the common time spectrum as well as deficits and changes in such areas as biological, environmental and mental area. Dissocial (antisocial personality disorder is characterised by a pervasive pattern of disregard for, or violation of, the rights of others. The indices of the discussed disorder can be found in specific patterns of social inadequacy occurring during childhood and puberty. At the same time, characteristic indices of social functioning at a young age often indicate subsequent dysfunctions in the area of sexuality. Aim. The aim of this paper is to explain sexual functioning of persons with dissocial personality disorder (including the relation with sexual dysfunctions, and to ascertain issues that need further empirical studies. Method. As a result of analysis of available literature (matched with EBSCO database search fulfilling criteria of sample size, accuracy of examination procedure, conclusions and discussion 5 articles fulfilling criteria cited above has been found. Conclusions: Based on literature overview, it appeared to be impossible to determine one coherent way of sexual functioning of dissocial persons, and to establish causal relationship of sexual dysfunctions and dissocial personality disorder. However, it is possible to indicate group of most characteristic dysfunctional sexual behaviours. Noteworthy, available publication analyse only selected aspects of sexual behaviours in small, homogenous groups. There is a lack of review studies as well as multi-faceted studies.

  12. Dissociative Identity Disorder

    Science.gov (United States)

    Schmidt, Tom

    2007-01-01

    Few psychological disorders in the Diagnostic Statistical Manual have generated as much controversy as Dissociative Identity Disorder (DID). For the past 35 years diagnoses of DID, previously referred to as Multiple Personality Disorder (MPD), have increased exponentially, causing various psychological researchers and clinicians to question the…

  13. Dispersive liquid-liquid microextraction method based on solidification of floating organic drop combined with gas chromatography with electron-capture or mass spectrometry detection.

    Science.gov (United States)

    Leong, Mei-I; Huang, Shang-Da

    2008-11-21

    A simple dispersive liquid-liquid microextraction (DLLME) method based on solidification of a floating organic drop (DLLME-SFO) technique combined with gas chromatography/electron-capture detection (GC/ECD) or gas chromatography/mass spectrometry (GC/MS) has been developed. The proposed method is simple, low in cost, and of high precision. It overcomes the most important problem in DLLME, the high-toxic solvent used. Halogenated organic compounds (HOCs) in water samples were determined as the model compounds. The parameters optimized for the DLLME-SFO technique were as follows: A mixture of 0.5 mL acetone, containing 10 microL 2-dodecanol (2-DD-OH), was rapidly injected by syringe into the 5 mL water sample. After centrifugation, the fine 2-DD-OH droplets (8+/-0.5 microL) were floated at the top of the screwcap test tube. The test tube was then cooled in an ice bath. After 5 min the 2-DD-OH solvent had solidified and was then transferred into a conical vial; it melted quickly at room temperature and 3 microL (for GC/ECD) or 2 microL (for GC/MS) of it was injected into a gas chromatograph for analysis. The limit of detection (LOD) for this technique was 0.005-0.05microgL(-1) for GC/ECD and was 0.005-0.047 microgL(-1) for GC/MS, respectively. The linear range of the calibration curve of DLLME-SFO was from 0.01 to 500 microgL(-1) with a coefficient of estimation (r2)>0.996 for GC/ECD and was from 0.02 to 500 microgL(-1) with a coefficient of estimation (r2)>0.996 for GC/MS.

  14. Comprehensive two-dimensional gas chromatography - time-of-flight mass spectrometry and simultaneous electron capture detection/nitrogen phosphorous detection for incense analysis

    Science.gov (United States)

    Tran, Tin C.; Marriott, Philip J.

    This study reports comprehensive two-dimensional gas chromatography hyphenated to time-of-flight mass spectrometry detection (GC × GC/TOFMS) for characterisation and identification of components generated by four different types of powdered incense headspace (H/S) and incense smoke. GC × GC/TOFMS allowed simultaneous separation and identification of compounds emitted into the atmosphere as a result of combustion of incense powder. The smoke stream comprised compounds originating from the incense powder, and combustion products such as saturated and unsaturated hydrocarbons, essential oil type compounds, nitromusks, fatty acid methyl esters (FAMEs), polycyclic aromatic hydrocarbons (PAHs, which possibly include oxygenated and nitrated PAH), N-heterocyclics, pyrans and furans, which were detected and tentatively identified by GC × GC/TOFMS. GC × GC-electron capture detector/nitrogen phosphorous detector (ECD/NPD) potentially offers the prospect of providing selective chemical compositional information of incense powder and smoke, such as nitrogen-containing (N-containing) and halogenated compounds. Results of GC×GC-ECD/NPD showed that both incense powder and smoke generated emission of N-containing and halogenated compounds. A significant number of halogenated and N-containing compounds were emitted during the incomplete combustion of incense. However, one further objective of this paper is to demonstrate the capacity of comprehensive two-dimensional gas chromatography coupled to specific and/or selective detectors such as those used in this study (GC × GC-ECD/NPD) for the detection of particular classes of compounds such as N-containing and halogenated compounds at trace level concentrations in complex smoke samples.

  15. Stability evaluation of hydrate-bearing sediments during thermally-driven hydrate dissociation

    Science.gov (United States)

    Kwon, T.; Cho, G.; Santamarina, J.; Kim, H.; Lee, J.

    2009-12-01

    Hydrate-bearing sediments may destabilize spontaneously as part of geological processes, unavoidably during petroleum drilling/production operations, or intentionally as part of gas extraction from the hydrate itself. In all cases, high pore fluid pressure generation is anticipated during hydrate dissociation. This study examined how thermal changes destabilize gas hydrate-bearing sediments. First, an analytical formulation was derived for predicting fluid pressure evolution in hydrate-bearing sediments subjected to thermal stimulation without mass transfer. The formulation captures the self-preservation behavior, calculates the hydrate and free gas quantities during dissociation, considering effective stress-controlled sediment compressibility and gas solubility in aqueous phase. Pore fluid pressure generation is proportional to the initial hydrate fraction and the sediment bulk stiffness; is inversely proportional to the initial gas fraction and gas solubility; and is limited by changes in effective stress that cause the failure of the sediment. Second, the analytical formulation for hydrate dissociation was incorporated as a user-defined function into a verified finite difference code (FLAC2D). The underlying physical processes of hydrate-bearing sediments, including hydrate dissociation, self-preservation, pore pressure evolution, gas dissolution, and sediment volume expansion, were coupled with the thermal conduction, pore fluid flow, and mechanical response of sediments. We conducted the simulations for a duration of 20 years, assuming a constant-temperature wellbore transferred heat to the surrounding hydrate-bearing sediments, resulting in dissociation of methane hydrate in the well vicinity. The model predicted dissociation-induced excess pore fluid pressures which resulted in a large volume expansion and plastic deformation of the sediments. Furthermore, when the critical stress was reached, localized shear failure of the sediment around the borehole was

  16. Neutron capture reactions at DANCE

    Science.gov (United States)

    Bredeweg, T. A.

    2008-05-01

    The Detector for Advanced Neutron Capture Experiments (DANCE) is a 4π BaF2 array consisting of 160 active detector elements. The primary purpose of the array is to perform neutron capture cross section measurements on small (>~100 μg) and/or radioactive (DANCE we have performed neutron capture cross section measurements on a wide array of medium to heavy mass nuclides. Measurements to date include neutron capture cross sections on 241,243Am, neutron capture and neutron-induced fission cross sections and capture-to-fission ratio (α = σγ/σf) for 235U using a new fission-tagging detector as well as neutron capture cross sections for several astrophysics branch-point nuclei. Results from several of these measurements will be presented along with a discussion of additional physics information that can be extracted from the DANCE data.

  17. Combined pulsed-Q dissociation and electron transfer dissociation for identification and quantification of iTRAQ-labeled phosphopeptides.

    Science.gov (United States)

    Yang, Feng; Wu, Si; Stenoien, David L; Zhao, Rui; Monroe, Matthew E; Gritsenko, Marina A; Purvine, Samuel O; Polpitiya, Ashoka D; Tolić, Nikola; Zhang, Qibin; Norbeck, Angela D; Orton, Daniel J; Moore, Ronald J; Tang, Keqi; Anderson, Gordon A; Pasa-Tolić, Ljiljana; Camp, David G; Smith, Richard D

    2009-05-15

    Here, we report a new approach that integrates pulsed Q dissociation (PQD) and electron transfer dissociation (ETD) techniques for confident and quantitative identification of iTRAQ-labeled phosphopeptides. The use of isobaric tags for relative and absolute quantification enables a high-throughput quantification of peptides via reporter ion signals in the low m/z range of tandem mass spectra. PQD, a form of ion trap collision activated dissociation, allows for detection of low mass-to-charge fragment ions, and electron transfer dissociation is especially useful for sequencing peptides that contain post-translational modifications. Analysis of the phosphoproteome of human fibroblast cells using a sensitive linear ion trap mass spectrometer demonstrated that this hybrid approach improves both identification and quantification of phosphopeptides. ETD improved phosphopeptide identification, while PQD provides improved quantification of iTRAQ-labeled phosphopeptides.

  18. Hormone replacement therapy dissociates fat mass and bone mass, and tends to reduce weight gain in early postmenopausal women: a randomized controlled 5-year clinical trial of the Danish Osteoporosis Prevention Study

    DEFF Research Database (Denmark)

    Jensen, L B; Vestergaard, P; Hermann, A P

    2003-01-01

    The aim of this study was to study the influence of hormone replacement therapy (HRT) on weight changes, body composition, and bone mass in early postmenopausal women in a partly randomized comprehensive cohort study design. A total of 2016 women ages 45-58 years from 3 months to 2 years past last...... of the weight gain was a decline in physical fitness. Women opting for HRT had a significantly lower body weight at inclusion than the other participants, but the results in the self-selected part of the study followed the pattern found in the randomized part. The change in fat mass was the strongest predictor...

  19. Simple setup for gas-phase H/D exchange mass spectrometry coupled to electron transfer dissociation and ion mobility for analysis of polypeptide structure on a liquid chromatographic time scale.

    Science.gov (United States)

    Mistarz, Ulrik H; Brown, Jeffery M; Haselmann, Kim F; Rand, Kasper D

    2014-12-01

    Gas-phase hydrogen/deuterium exchange (HDX) is a fast and sensitive, yet unharnessed analytical approach for providing information on the structural properties of biomolecules, in a complementary manner to mass analysis. Here, we describe a simple setup for ND3-mediated millisecond gas-phase HDX inside a mass spectrometer immediately after ESI (gas-phase HDX-MS) and show utility for studying the primary and higher-order structure of peptides and proteins. HDX was achieved by passing N2-gas through a container filled with aqueous deuterated ammonia reagent (ND3/D2O) and admitting the saturated gas immediately upstream or downstream of the primary skimmer cone. The approach was implemented on three commercially available mass spectrometers and required no or minor fully reversible reconfiguration of gas-inlets of the ion source. Results from gas-phase HDX-MS of peptides using the aqueous ND3/D2O as HDX reagent indicate that labeling is facilitated exclusively through gaseous ND3, yielding similar results to the infusion of purified ND3-gas, while circumventing the complications associated with the use of hazardous purified gases. Comparison of the solution-phase- and gas-phase deuterium uptake of Leu-Enkephalin and Glu-Fibrinopeptide B, confirmed that this gas-phase HDX-MS approach allows for labeling of sites (heteroatom-bound non-amide hydrogens located on side-chains, N-terminus and C-terminus) not accessed by classical solution-phase HDX-MS. The simple setup is compatible with liquid chromatography and a chip-based automated nanoESI interface, allowing for online gas-phase HDX-MS analysis of peptides and proteins separated on a liquid chromatographic time scale at increased throughput. Furthermore, online gas-phase HDX-MS could be performed in tandem with ion mobility separation or electron transfer dissociation, thus enabling multiple orthogonal analyses of the structural properties of peptides and proteins in a single automated LC-MS workflow.

  20. Capturing appearance

    Science.gov (United States)

    Rushmeier, Holly E.

    2005-01-01

    For computer graphics applications, capturing the appearance parameters of objects (reflectance, transmittance and small scale surface structures), is as important as capturing the overall shape. We briefly review recent approaches developed by the computer graphics community to solve this problem. Excellent results have been obtained by various researchers measuring spatially varying reflectance functions for some classes of objects. We will consider some challenges from two of the remaining problematic classes of objects. First we will describe our experience scanning and modeling the throne of Tutankhamen. The major difficulties in this case were that the base shape was a highly detailed non-convex geometry with complex topology, and the shape was covered by optically uncooperative gold and silver. Then we will discuss some observations from our ongoing project to scan and model historic buildings on the Yale campus. The major difficulties in this second case are quantity of data and the lack of control over acquisition conditions.

  1. Effect of temperature and solvent composition on acid dissociation equilibria, I: Sequenced (s)(s)pKa determination of compounds commonly used as buffers in high performance liquid chromatography coupled to mass spectroscopy detection.

    Science.gov (United States)

    Padró, Juan M; Acquaviva, Agustín; Tascon, Marcos; Gagliardi, Leonardo G; Castells, Cecilia B

    2012-05-06

    A new automated and rapid potentiometric method for determining the effect of organic-solvent composition on pK(a) has been developed. It is based on the measurements of pH values of buffer solutions of variable solvent compositions using a combined glass electrode. Additions of small volumes of one precisely thermostated solution into another, both containing exactly the same analytical concentrations of the buffer components, can produce continuous changes in the solvent composition. Two sequences of potential measurements, one of increasing and the other of decreasing solvent content, are sufficient to obtain the pK(a) values of the acidic compound within the complete solvent-composition range in about 2h. The experimental design, procedures, and calculations needed to convert the measured pH into the thermodynamic pK(a) values are thoroughly discussed. This rapid and automated method allows the systematic study of the effect of solvent compositions and temperatures on the pK(a). It has been applied to study the dissociation constants of two monoprotic acids: formic acid and triethylamine:HCl in acetonitrile/water mixtures within the range from 0 to 90% (v/v) at temperatures between 20°C and 60°C. These volatile compounds are frequently used to control the pH of the mobile phase in HPLC, especially in methods coupled to mass-spectrometry detection. The obtained pK(a) values are in excellent agreement with those previously reported. The results were fitted to empirical functions between pK(a) and temperature and composition. These equations, which can be used to estimate the pK(a) of these substances at any composition and temperature, would be highly useful in practical work during chromatographic method development.

  2. Experimental Dissociation of Methane Hydrates Through Depressurization

    Science.gov (United States)

    Borgfeldt, T.; Flemings, P. B.; Meyer, D.; You, K.

    2015-12-01

    We dissociated methane hydrates by stepwise depressurization. The initial hydrates were formed by injecting gas into a cylindrical sample of brine-saturated, coarse-grained sand at hydrate-stable conditions with the intention of reaching three-phase equilibrium. The sample was initially at 1°C with a pore pressure of 1775 psi and a salinity of 7 wt. % NaBr. The depressurization setup consisted of one pump filled with tap water attached to the confining fluid port and a second pump attached to the inlet port where the methane was injected. Depressurization was conducted over sixteen hours at a constant temperature of 1°C. The pore pressure was stepwise reduced from 1775 psi to atmospheric pressure by pulling known volumes of gas from the sample. After each extraction, we recorded the instantaneous and equilibrium pore pressure. 0.503 moles of methane were removed from the sample. The pore pressure decreased smoothly and nonlinearly with the cumulative gas withdrawn from the sample. We interpret that hydrate began to dissociate immediately with depressurization, and it continued to dissociate when the pressure decreased below the three-phase pressure for 1°C and 0 wt. % salinity. Two breaks in slope in the pressure vs. mass extracted data are bounded by smooth, nonlinear curves with differing slopes on either side. We attribute the breaks to dissociation of three zones of hydrate concentration. We created a box model to simulate the experimental behavior. For a 10% initial gas saturation (estimated from the hydrate formation experiment and based on mass conservation), an initial hydrate saturation of 55% is required to match the total methane extracted from the sample. Future experiments will be conducted over a longer timespan while monitoring hydrate dissociation with CT imaging throughout the process.

  3. Charge-transport-induced dissociation in donor-bridge-acceptor complexes.

    Science.gov (United States)

    Brisker, Daria; Peskin, Uri

    2008-12-28

    Possible mechanisms for charge-transport-induced dissociation in donor-bridge-acceptor complexes are studied. Two mechanisms for dissociation at the molecular bridge are captured within a simple model of an anharmonic bridge vibration coupled nonlinearly to an electronic degree of freedom. A direct mechanism is associated with vibronic excitations to the nuclear continuum and an alternative dissociation mechanism involves intermediate quasibound vibrational states (Feshbach resonances). The two different mechanisms of charge-transport-induced dissociation are analyzed and their interplay as a function of the system parameters is examined. A parameter regime is suggested where the phenomenon should be experimentally accessible.

  4. Capture Matrices Handbook

    Science.gov (United States)

    2014-04-01

    changing the affinity ligand, we can use capture matrices to detect other chemicals such as chlorinated solvents, nerve and blister agents, pesticides...require significant chemical additives and complex equipment, generate a large secondary waste stream, and are difficult to automate. Magnetically...secondary wastes . 2 Other advantages are a large active surface area for a given mass of particles; the ability to process a solution that

  5. Recurrent dissociative fugue

    Directory of Open Access Journals (Sweden)

    Abhishek Mamarde

    2013-01-01

    Full Text Available Dissociative fugue is a rarely reported diagnostic entity. It is one of the least understood and yet clinically one of the most fascinating disorders in mental health. Here, we describe a case of fugue in a 32-year-old man who was brought to mental hospital with complete loss of memory for events pertaining to identity of self. This case illustrates the nature of presentation in hospital setting like mental hospital and effort taken to reintegrate his identity and reunite with his family.

  6. Dissociative Electron Attachment

    Science.gov (United States)

    Arreola, Esmeralda; Esmeralda Arreola Collaboration; Leigh Hargreaves Collaboration

    Since the pioneering work of Boudiaffa et al., it has been understood that electrons, even with energies near or below the ionization threshold, are capable of initiating strand-breaks in human DNA. This discovery raised important questions for cancer treatments, since sub-ionizing electrons are known to be the most copiously produced secondary product of radiation therapy. But even to date these factors are largely excluded from dosimetry calculations. This lack of inclusion is, at least in part, certainly due to the dearth of fundamental data describing low-energy electron interactions with nucleotide molecules that form the basis of DNA. Understanding of how such slow electrons are able to damage DNA remains incomplete, but the strongly peaked nature of Boudiaffa et al.'s data gives strong hints at resonantly driven collision processes. DNA damage is therefore most likely driven by ``dissociative electron attachment'' (DEA). DEA is a rather complicated process to model due to the coupling of electronic and nuclear degrees of freedom in the molecule. At the California State University Fullerton, we are currently commissioning a new spectrometer to study dissociation channels, reaction rates and orientation effects in DEA collisions between slow electrons and nucleotide molecules. At the meeting we will present design parameters and commissioning data for this new apparatus.

  7. Dissociation Energies of Diatomic Molecules

    Institute of Scientific and Technical Information of China (English)

    FAN Qun-Chao; SUN Wei-Guo

    2008-01-01

    Molecular dissociation energies of 10 electronic states of alkali molecules of KH, 7LID, 7LiH, 6LiH, NaK, NaLi and NaRb are studied using the highest three accurate vibrational energies of each electronic state, and an improved parameter-free analytical formula which is obtained starting from the LeRoy-Bernstein vibrational energy expression near the dissociation limit. The results show that as long as the highest three vibrational energies are accurate, the current analytical formula will give accurate theoretical dissociation energies Detheory, which are in excellent agreement with the experimental dissociation energies Dexpte.

  8. Dissociative Experiences in Psychiatric Inpatients

    Directory of Open Access Journals (Sweden)

    Ali Firoozabadi

    2016-11-01

    Full Text Available Dissociative disorders are conditions that involve disruptions of memory, awareness, identity, or perception. Data collected in diverse geographic locations underline the consistency in clinical symptoms of dissociative disorders. In this cross-sectional descriptive study, prevalence of dissociative experiences has been screened in hospitalized patients in psychiatric wards of Shiraz University of Medical Sciences in Iran. One hundred and sixty patients in two hospitals entered the study. Our tool to screen the prevalence of dissociative experiences was Dissociative Experience Scale (DES. Linear regression analysis shows that gender and age are predictors of high DES scores to some extent while psychiatric disorders are not good predictors. Age, gender and psychiatric disorders are poor predictors (almost 7% of high DES scores in this study (R square=0.69. In this study, patients with Borderline Personality Disorder had higher dissociative experiences based on DES score (Mean: 56.44, followed by Schizophrenic patients (Mean: 28.22 and patients with Bipolar Personality Disorder (Mean: 25.18. This study showed that we might be able to create a new category in psychological disorders based on dissociative experiences. As age, gender and psychological disorders were poor predictors of dissociative experiences, stronger predictors such as positive childhood psychological traumas could be responsible for dissociative disorders.

  9. Effect of temperature and solvent composition on acid dissociation equilibria, I: Sequenced {sup s}{sub s}pK{sub a} determination of compounds commonly used as buffers in high performance liquid chromatography coupled to mass spectroscopy detection

    Energy Technology Data Exchange (ETDEWEB)

    Padro, Juan M.; Acquaviva, Agustin; Tascon, Marcos [Laboratorio de Separaciones Analiticas, Division Quimica Analitica, Universidad Nacional de La Plata y CIDEPINT, 47 y 115, (1900) La Plata (Argentina); Gagliardi, Leonardo G., E-mail: leogagliardi@quimica.unlp.edu.ar [Laboratorio de Separaciones Analiticas, Division Quimica Analitica, Universidad Nacional de La Plata y CIDEPINT, 47 y 115, (1900) La Plata (Argentina); Castells, Cecilia B., E-mail: castells@isis.unlp.edu.ar [Laboratorio de Separaciones Analiticas, Division Quimica Analitica, Universidad Nacional de La Plata y CIDEPINT, 47 y 115, (1900) La Plata (Argentina)

    2012-05-06

    Highlights: Black-Right-Pointing-Pointer We developed a rapid potentiometric method for sequential pK{sub a} determinations. Black-Right-Pointing-Pointer We measured pK{sub a} of buffers from 0 to 90% (v/v) acetonitrile/water and from 20 to 60 Degree-Sign C. Black-Right-Pointing-Pointer Sequences of 42 pK{sub a}-data spanned over a wide solvent composition range needed 2 h. Black-Right-Pointing-Pointer We measured pK{sub a} of formic acid and triethylamine/HCl in up to 90% (v/v) acetonitrile. Black-Right-Pointing-Pointer The high-throughput method was applied to obtain pK{sub a} of two common buffers in LC/MS. - Abstract: A new automated and rapid potentiometric method for determining the effect of organic-solvent composition on pK{sub a} has been developed. It is based on the measurements of pH values of buffer solutions of variable solvent compositions using a combined glass electrode. Additions of small volumes of one precisely thermostated solution into another, both containing exactly the same analytical concentrations of the buffer components, can produce continuous changes in the solvent composition. Two sequences of potential measurements, one of increasing and the other of decreasing solvent content, are sufficient to obtain the pK{sub a} values of the acidic compound within the complete solvent-composition range in about 2 h. The experimental design, procedures, and calculations needed to convert the measured pH into the thermodynamic pK{sub a} values are thoroughly discussed. This rapid and automated method allows the systematic study of the effect of solvent compositions and temperatures on the pK{sub a}. It has been applied to study the dissociation constants of two monoprotic acids: formic acid and triethylamine:HCl in acetonitrile/water mixtures within the range from 0 to 90% (v/v) at temperatures between 20 Degree-Sign C and 60 Degree-Sign C. These volatile compounds are frequently used to control the pH of the mobile phase in HPLC, especially in

  10. Simultaneous analysis of polychlorinated biphenyls and organochlorine pesticides in seawater samples by membrane-assisted solvent extraction combined with gas chromatography-electron capture detector and gas chromatography-tandem mass spectrometry.

    Science.gov (United States)

    Shi, Xizhi; Tang, Zigang; Sun, Aili; Zhou, Lei; Zhao, Jian; Li, Dexiang; Chen, Jiong; Pan, Daodong

    2014-12-01

    A highly efficient and environment-friendly membrane-assisted solvent extraction system combined with gas chromatography-electron capture detector was applied in the simultaneous determination of 17 polychlorinated biphenyls and organochlorine pesticides in seawater samples. Variables affecting extraction efficiency, including extraction solvent used, stirring rate, extraction time, and temperature, were optimized extensively. Under optimal extraction conditions, recoveries between 76.9% and 104.6% in seawater samples were achieved, and relative standard deviation values below 10% were obtained. The limit of detection (signal-to-noise ratio=3) and limit of quantification (signal-to-noise ratio=10) of 17 polychlorinated biphenyls and organochlorine pesticides in seawater ranged from 0.14ngL(-1) to 0.36ngL(-1) and 0.46ngL(-1) to 1.19ngL(-1), respectively. Matrix effects on extraction efficiency were evaluated by comparing with the results obtained using tap water. The extraction effect of developed membrane-assisted solvent extraction method was further demonstrated by gas chromatography-tandem mass spectrometry which can provide structural information of the analytes for more accurate identification, and results identical to those produced by gas chromatography-electron capture detector were obtained. These findings demonstrate the applicability of the developed membrane-assisted solvent extraction determination method for coupling to gas chromatography-electron capture detector or tandem mass spectrometry for determining polychlorinated biphenyls and organochlorine pesticides in seawater samples.

  11. Affinity capture of biotinylated proteins at acidic conditions to facilitate hydrogen/deuterium exchange mass spectrometry analysis of multimeric protein complexes

    DEFF Research Database (Denmark)

    Jensen, Pernille Foged; Jørgensen, Thomas J. D.; Koefoed, Klaus;

    2013-01-01

    prior to the HDX-MS experiment. However, when studying protein complexes of more than two proteins, immobilization can possibly introduce steric limitations to the interactions. Here, we present a method based on the high affinity biotin-streptavidin interaction that allows selective capture...... of biotinylated proteins even under the extreme conditions for hydrogen/deuterium exchange quenching i.e. pH 2.5 and 0 °C. This biotin-streptavidin capture strategy allows hydrogen/deuterium exchange to occur in proteins in solution and enables characterization of specific proteins in heteromultimeric protein...... complexes without interference of peptides originating from other interaction partners in the complex. The biotin-streptavidin strategy has been successfully implemented in a model system with two recombinant monoclonal antibodies that target nonoverlapping epitopes on the human epidermal growth factor...

  12. Catalytic efficiency of Nb and Nb oxides for hydrogen dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Isobe, Shigehito, E-mail: isobe@eng.hokudai.ac.jp [Graduate School of Engineering, Hokkaido University, N-13, W-8, Sapporo 060-0813 (Japan); Creative Research Institution, Hokkaido University, N-20, W-10, Sapporo 001-0021 (Japan); Kudoh, Katsuhiro; Hino, Satoshi; Hashimoto, Naoyuki; Ohnuki, Somei [Graduate School of Engineering, Hokkaido University, N-13, W-8, Sapporo 060-0813 (Japan); Hara, Kenji [Catalysis Research Center, Hokkaido University, N-20, W-10, Sapporo 001-0021 (Japan)

    2015-08-24

    In this letter, catalytic efficiency of Nb, NbO, Nb{sub 2}O{sub 3}, NbO{sub 2}, and Nb{sub 2}O{sub 5} for dissociation and recombination of hydrogen were experimentally investigated. On the surface of Nb and Nb oxides in a gas mixture of H{sub 2} and D{sub 2}, H{sub 2} and D{sub 2} molecules can be dissociated to H and D atoms; then, H{sub 2}, D{sub 2}, and HD molecules can be produced according to the law of probability. With increase of frequency of the dissociation and recombination, HD ratio increases. The ratio of H{sub 2} and HD gas was analyzed by quadrupole mass spectrometry. As a result, NbO showed the highest catalytic activity towards hydrogen dissociation and recombination.

  13. Numerical and experimental study of dissociation in an air-water single-bubble sonoluminescence system.

    Science.gov (United States)

    Puente, Gabriela F; Urteaga, Raúl; Bonetto, Fabián J

    2005-10-01

    We performed a comprehensive numerical and experimental analysis of dissociation effects in an air bubble in water acoustically levitated in a spherical resonator. Our numerical approach is based on suitable models for the different effects considered. We compared model predictions with experimental results obtained in our laboratory in the whole phase parameter space, for acoustic pressures from the bubble dissolution limit up to bubble extinction. The effects were taken into account simultaneously to consider the transition from nonsonoluminescence to sonoluminescence bubbles. The model includes (1) inside the bubble, transient and spatially nonuniform heat transfer using a collocation points method, dissociation of O2 and N2, and mass diffusion of vapor in the noncondensable gases; (2) at the bubble interface, nonequilibrium evaporation and condensation of water and a temperature jump due to the accommodation coefficient; (3) in the liquid, transient and spatially nonuniform heat transfer using a collocation points method, and mass diffusion of the gas in the liquid. The model is completed with a Rayleigh-Plesset equation with liquid compressible terms and vapor mass transfer. We computed the boundary for the shape instability based on the temporal evolution of the computed radius. The model is valid for an arbitrary number of dissociable gases dissolved in the liquid. We also obtained absolute measurements for R(t) using two photodetectors and Mie scattering calculations. The robust technique used allows the estimation of experimental results of absolute R0 and P(a). The technique is based on identifying the bubble dissolution limit coincident with the parametric instability in (P(a),R0) parameter space. We take advantage of the fact that this point can be determined experimentally with high precision and replicability. We computed the equilibrium concentration of the different gaseous species and water vapor during collapse as a function of P(a) and R0. The

  14. Dissociative electron attachment studies on acetone

    Energy Technology Data Exchange (ETDEWEB)

    Prabhudesai, Vaibhav S., E-mail: vaibhav@tifr.res.in; Tadsare, Vishvesh; Ghosh, Sanat; Gope, Krishnendu; Davis, Daly; Krishnakumar, E. [Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai 400005 (India)

    2014-10-28

    Dissociative electron attachment (DEA) to acetone is studied in terms of the absolute cross section for various fragment channels in the electron energy range of 0–20 eV. H{sup −} is found to be the most dominant fragment followed by O{sup −} and OH{sup −} with only one resonance peak between 8 and 9 eV. The DEA dynamics is studied by measuring the angular distribution and kinetic energy distribution of fragment anions using Velocity Slice Imaging technique. The kinetic energy and angular distribution of H{sup −} and O{sup −} fragments suggest a many body break-up for the lone resonance observed. The ab initio calculations show that electron is captured in the multi-centered anti-bonding molecular orbital which would lead to a many body break-up of the resonance.

  15. Structural determination of zinc dithiophosphates in lubricating oils by gas chromatography-mass spectrometry with electron impact and electron-capture negative ion chemical ionization.

    Science.gov (United States)

    Becchi, M; Perret, F; Carraze, B; Beziau, J F; Michel, J P

    2001-01-05

    Pentafluorobenzyl ester derivatives were used to identify zinc dialkyldithiophosphates and diaryldithiophosphates antiwear engine oil additives by GC-electron impact ionization (EI) MS and GC-electron-capture negative ion chemical ionization (ECNCI) MS analysis. GC-EI-MS of the dialkyldithiophosphate-pentafluorobenzyl derivatives afforded characteristic fragment ions corresponding to the cleavage of one and two alkyl radicals. In most cases, information was only obtained on one alkyl chain. Additional and complete information was obtained with retention time indices using synthetic derivatives and with GC-ECNCI-MS analysis. ECNCI afforded characteristic dithiophosphate anions which allowed the determination of the total number of carbon atoms in the alkyl radicals. The diastereoisomer mixtures of 2-hydroxy-sec.-alkyl radicals were completely separated on GC analysis.

  16. Characterization and Diagnostic Value of Amino Acid Side Chain Neutral Losses Following Electron-Transfer Dissociation

    Science.gov (United States)

    Xia, Qiangwei; Lee, M. Violet; Rose, Christopher M.; Marsh, Alyce J.; Hubler, Shane L.; Wenger, Craig D.; Coon, Joshua J.

    2011-02-01

    Using a large set of high mass accuracy and resolution ETD tandem mass spectra, we characterized ETD-induced neutral losses. From these data we deduced the chemical formula for 20 of these losses. Many of them have been previously observed in electron-capture dissociation (ECD) spectra, such as losses of the side chains of arginine, aspartic acid, glutamic acid, glutamine, asparagine, leucine, histidine, and carbamidomethylated cysteine residues. With this information, we examined the diagnostic value of these amino acid-specific losses. Among 1285 peptide-spectrum matches, 92.5% have agreement between neutral loss-derived peptide amino acid composition and the peptide sequences. Moreover, we show that peptides can be uniquely identified by using only the accurate precursor mass and amino acid composition based on neutral losses; the median number of sequence candidates from an accurate mass query is reduced from 21 to 8 by adding side chain loss information. Besides increasing confidence in peptide identification, our findings suggest the potential use of these diagnostic losses in ETD spectra to improve false discovery rate estimation and to enhance the performance of scoring functions in database search algorithms.

  17. Dissociative Disorder Presenting as Catatonia

    OpenAIRE

    Sarkar, P; Patra, B.; Sattar, F.A.; Chatterjee, K.; Gupta, A; Walia, T.S.

    2004-01-01

    Three cases of dissociative disorder presenting with catatonia are described. Catatonia is generally believed to be associated with schizophrenia. However, many other conditions are also known to cause catatonia. A brief review of literature is provided. All the cases improved rapidly with a few ECTs. This report aims to highlight the presentation of dissociative disorders with catatonia. It also seeks to bring to notice the need to avoid lumping all non-organic catatonics under the rubric of...

  18. Infrared multiple-photon dissociation spectroscopy of group II metal complexes with salicylate

    NARCIS (Netherlands)

    R.P. Dain; G. Gresham; G.S. Groenewold; J.D. Steill; J. Oomens; M.J. van Stipdonk

    2011-01-01

    Ion trap tandem mass spectrometry with collision-induced dissociation, and the combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations, were used to characterize singly charged, 1:1 complexes of Ca2+, Sr2+ and Ba2+ with salicylate. F

  19. Infrared multiple-photon dissociation spectroscopy of group II metal complexes with salicylate

    NARCIS (Netherlands)

    Dain, R. P.; Gresham, G.; Groenewold, G. S.; Steill, J. D.; Oomens, J.; van Stipdonk, M. J.

    2011-01-01

    Ion trap tandem mass spectrometry with collision-induced dissociation, and the combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations, were used to characterize singly charged, 1: 1 complexes of Ca2+, Sr2+ and Ba2+ with salicylate.

  20. Nucleon-x sub c sub J dissociation cross sections

    CERN Document Server

    Feng You Ceng; Xu Xiao Ming

    2002-01-01

    Nucleon-x sub c sub J dissociation cross sections are calculated in a constituent inter-exchange model in which quark-quark potential is derived from the Buchmueller-Type quark-anti-quark potential. These new cross sections for dominant reaction channels depend on the centre-of-mass energy of the nucleon and the charmonium

  1. Dissociative experiences and dissociative minds: Exploring a nomological network of dissociative functioning.

    Science.gov (United States)

    Schimmenti, Adriano

    2016-01-01

    In this study, the psychometric properties of the Dissociative Experiences Scale-II (DES-II) were tested in a sample of Italian adults, and a nomological network of dissociative functioning based on current psychodynamic research was examined. A total of 794 participants (55% females) ranging in age from 18 to 64 completed the DES-II and other measures of theory of mind, alexithymia, attachment style, and empathy. The Italian translation of the DES-II showed high internal consistency, adequate item-to-scale homogeneity, and good split-half reliability. A single-factor solution including the 8 items of pathological dissociation (DES-T) adequately fit the data. Participants who reported higher levels of dissociative experiences showed significantly lower scores on theory of mind and empathy than other participants. They also showed significantly higher scores on alexithymia, preoccupied attachment, and fearful attachment. Results of the study support the view that people who suffer from severe dissociative experiences may also have difficulties mentalizing and regulating affects and that they may feel uncomfortable in close relationships because they have a negative view of the self. This can inform clinical work with dissociative individuals, who could benefit from therapies that consider their potential problems with mentalization, empathy, affect regulation, and attachment.

  2. MASS SPECTROMETER

    Science.gov (United States)

    White, F.A.

    1960-08-23

    A mass spectrometer is designed with a first adjustable magnetic field for resolving an ion beam into beams of selected masses, a second adjustable magnetic field for further resolving the ion beam from the first field into beams of selected masses, a thin foil disposed in the path of the beam between the first and second magnets to dissociate molecular ions incident thereon, an electrostatic field for further resolving the ion beam from the second field into beams of selected masses, and a detector disposed adjacent to the electrostatic field to receive the ion beam.

  3. Dipolar dissociation dynamics in electron collisions with carbon monoxide

    CERN Document Server

    Chakraborty, Dipayan; Nandi, Dhananjay

    2016-01-01

    Dipolar dissociation processes in the electron collisions with carbon monoxide have been studied using time of flight (TOF) mass spectroscopy in combination with the highly differential velocity slice imaging (VSI) technique. Probing ion-pair states both positive and/or negative ions may be detected. The ion yield curve of negative ions provides the threshold energy for the ion-pair production. On the other hand, the kinetic energy distributions and angular distributions of the fragment anion provide detailed dynamics of the dipolar dissociation process. Two ion-pair states have been identified based on angular distribution measurements using VSI technique.

  4. Novel features of $J/\\psi$ dissociation in matter

    CERN Document Server

    Sibirtsev, A A; Saitô, K; Thomas, A W

    2000-01-01

    We make a detailed study of the effect that the recently predicted modification of the in-medium masses of charmed mesons would have on $J/\\Psi$ dissociation on pion and $\\rho$-meson comovers in relativistic heavy ion collisions. We find a substantial dependence of the $J/\\Psi$ absorption rates on the density and temperature of the nuclear matter. This suggests that measurements of the change in $J/\\Psi$ dissociation in matter can now be used as a powerful tool to study the in-medium properties of the charmed mesons.

  5. A purge and trap technique to capture volatile compounds combined with comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry to investigate the effect of sulfur-fumigation on Radix Angelicae Dahuricae.

    Science.gov (United States)

    Cao, Gang; Li, Qinglin; Zhang, Jida; Cai, Hao; Cai, Baochang

    2014-09-01

    Sulfur-fumigation is known to reduce volatile compounds that are the main active components in herbs used in herbal medicine. We investigated changes in chemical composition between sun-dried and sulfur-fumigated Radix Angelicae Dahuricae using a purge and trap technique to capture volatile compounds, and two-dimensional gas chromatography/time-of-flight mass spectrometry for identification. Using sun-dried Radix Angelicae Dahuricae samples as a reference, the results showed that 73 volatile compounds, including 12 sulfide compounds, were found to be present only in sulfur-fumigated samples. Furthermore, 32 volatile compounds that were found in sun-dried Radix Angelicae Dahuricae samples disappeared after sulfur-fumigation. The proposed method can be applied to accurately discriminate sulfur-fumigated Radix Angelicae Dahuricae from different commercial sources.

  6. Multiphoton dissociative ionization of CS+

    Science.gov (United States)

    Rajput, Jyoti; Jochim, Bethany; Zohrabi, M.; Betsch, K. J.; Ablikim, U.; Berry, Ben; Severt, T.; Summers, A. M.; Armstrong, G. S. J.; Esry, B. D.; Carnes, K. D.; Ben-Itzhak, I.

    2015-05-01

    We have studied the dissociative photoionization of a CS+ molecular ion beam in the strong-field regime using <50 fs IR laser pulses (λ ~ 790 nm) from a 10 kHz, ~2 mJ (per pulse) Ti:Sapphire laser system. A coincidence three-dimensional momentum imaging method was used to measure all ions and neutrals formed during this multiphoton process. Two prominent channels were observed: charge-symmetric dissociation, yielding C+ + S+, and charge-asymmetric dissociation, yielding C + S2+. The differences between these two channels with reference to their relative production probability, energetics, and angular distributions is the focus of this work. This work was supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. BJ is also supported by DOE-SCGF (DE-AC05-06OR23100).

  7. INFLUENCE OF ORGANIC SOLVENTS ON WATER DISSOCIATION IN BIPOLAR MEMBRANE

    Directory of Open Access Journals (Sweden)

    Sheldeshov N. V.

    2015-12-01

    Full Text Available The article discusses results of experimental research of the influence of aprotic and proton solvents on reaction rate of water molecules dissociation in the bipolar membrane MB-1 by the method of electrochemical impedance frequency spectrum. It was discovered, that addition of organic component in aqueous solutions results in significant influence on the parameters of water dissociation in a bipolar region of the membrane. The reason for this influence is the reduction of the mass fraction of water in solution and, consequently, in a bipolar region of the membrane, which itself reduces the rate of the dissociation reaction. Another reason for the influence of the organic solvent is its effect on the network of hydrogen bonds existing in water and aqueous solutions. Depending on the nature of organic solvent and its concentration, the network of hydrogen bonds may be strengthened, or destroyed, thus facilitating removal of the proton involved in the reactions between water molecules and catalytic centers in cation-exchange and anion-exchange layer of bipolar membrane, or retarding removal of proton. This leads respectively to speed up or slow down the rate of dissociation in the bipolar region of the membrane, as well as changing the constants of the dissociation reaction of water. Introduction of organic solvent in solutions, which are in the contact with bipolar membrane, is a convenient method of investigating the role of solution composition on the rate of proton transfer between water molecules and catalytic centers in the membranes

  8. DISSOCIATIVE DISORDERS IN DSM-5

    NARCIS (Netherlands)

    Spiegel, David; Loewenstein, Richard J.; Lewis-Fernandez, Roberto; Sar, Vedat; Simeon, Daphne; Vermetten, Eric; Cardena, Etzel; Dell, Paul F.

    2011-01-01

    Background: We present recommendations for revision of the diagnostic criteria for the Dissociative Disorders (DDs) for DSM-5. The periodic revision of the DSM provides an opportunity to revisit the assumptions underlying specific diagnoses and the empirical support, or lack of it, for the defining

  9. Dissociative disorders in DSM-5

    NARCIS (Netherlands)

    Spiegel, David; Loewenstein, Richard J.; Lewis-Fernandez, Roberto; Sar, Vedat; Simeon, Daphne; Vermetten, Eric; Cardena, Etzel; Dell, Paul F.

    2011-01-01

    Background: We present recommendations for revision of the diagnostic criteria for the Dissociative Disorders (DDs) for DSM-5. The periodic revision of the DSM provides an opportunity to revisit the assumptions underlying specific diagnoses and the empirical support, or lack of it, for the defining

  10. Mechanisms of Peptide Fragmentation from Time-and Energy-Resolved Surface-Induced Dissociation Studies: Dissociation of Angiotensin Analogs

    Energy Technology Data Exchange (ETDEWEB)

    Laskin, Julia; Bailey, Thomas H.; Futrell, Jean H.

    2006-03-01

    Energetics and mechanism of dissociation of singly protonated angiotensin III (RVYIHPF) and its analogs RVYIFPF, RVYIYPF, RVYIHAF, and RVYIHDF was studied using surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially configured for studying ion activation by collisions with surfaces. The energetics and dynamics of peptide fragmentation were deduced by modeling the time- and energy-resolved survival curves for each precursor ion using an RRKM based approach developed in our laboratory. Fragmentation mechanisms were inferred from comparison of time- and energy-resolved fragmentation efficiency curves (TFECs) of different fragment ions followed by RRKM modeling of dissociation of angiotensin III into six major families of fragment ions. Detailed modeling demonstrated that dissociation of these peptides is dominated by loss of ammonia from the precursor ion and characterized by a high energy barrier of 1.6 eV. Loss of NH3 and subsequent rearrangement of the MH-NH3 ion results in proton mobilization and release of ca. 30 kcal/mol into internal excitation of the MH-NH3 ion. The resulting highly excited ion accesses a variety of non-specific dissociation pathways with very high rate constants. Fast fragmentation of excited MH-NH3 ion forms a variety of abundant bn-NH3 and an-NH3 fragment ions. Abundant XH and HX internal fragments are also formed, reflecting the stability of histidine-containing diketopiperazine structures.

  11. Mechanisms of peptide fragmentation from time- and energy-resolved surface-induced dissociation studies: Dissociation of angiotensin analogs

    Science.gov (United States)

    Laskin, Julia; Bailey, Thomas H.; Futrell, Jean H.

    2006-03-01

    Energetics and mechanism of dissociation of singly protonated angiotensin III (RVYIHPF) and its analogs RVYIFPF, RVYIYPF, RVYIHAF and RVYIHDF was studied using surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially configured for studying ion activation by collisions with surfaces. The energetics and dynamics of peptide fragmentation were deduced by modeling the time- and energy-resolved survival curves for each precursor ion using an RRKM-based approach developed in our laboratory. Fragmentation mechanisms were inferred from comparison of time- and energy-resolved fragmentation efficiency curves (TFECs) of different fragment ions followed by RRKM modeling of dissociation of angiotensin III into six major families of fragment ions. Detailed modeling demonstrated that dissociation of these peptides is dominated by loss of ammonia from the precursor ion and characterized by a high-energy barrier of 1.6 eV. Loss of NH3 and subsequent rearrangement of the MH+-NH3 ion results in proton mobilization and release of ca. 30 kcal/mol into internal excitation of the MH+-NH3 ion. The resulting highly excited ion accesses a variety of non-specific dissociation pathways with very high rate constants. Fast fragmentation of excited MH+-NH3 ion forms a variety of abundant bn-NH3 and an-NH3 fragment ions. Abundant XH and HX internal fragments are also formed, reflecting the stability of histidine-containing diketopiperazine structures.

  12. Relative Stability of Peptide Sequence Ions Generated by Tandem Mass Spectrometry

    Science.gov (United States)

    Bythell, Benjamin J.; Hendrickson, Christopher L.; Marshall, Alan G.

    2012-04-01

    We report the use of unimolecular dissociation by infrared radiation for gaseous multiphoton energy transfer to determine relative activation energy (Ea,laser) for dissociation of peptide sequence ions. The sequence ions of interest are mass-isolated; the entire ion cloud is then irradiated with a continuous wave CO2 laser, and the first order rate constant, kd, is determined for each of a series of laser powers. Provided these conditions are met, a plot of the natural logarithm of kd versus the natural logarithm of laser power yields a straight line, whose slope provides a measure of Ea,laser. This method reproduces the Ea values from blackbody radiative dissociation (BIRD) for the comparatively large, singly and doubly protonated bradykinin ions (nominally y 9 and y 9 2+ ). The comparatively small sequence ion systems produce Ea,laser values that are systematic underestimates of theoretical barriers calculated with density functional theory (DFT). However, the relative Ea,laser values are in qualitative agreement with the mobile proton model and available theory. Additionally, novel protonated cyclic-dipeptide (diketopiperazine) fragmentation reactions are analyzed with DFT. FT-ICR MS provides access to sequence ions generated by electron capture dissociation, infrared multiphoton dissociation, and collisional activation methods (i.e., b n , y m , c n , z m • ions).

  13. Dissociating Prediction Failure: Considerations from Music Perception

    DEFF Research Database (Denmark)

    Ross, Suzi; Hansen, Niels Christian

    2016-01-01

    Dissociating Prediction Failure: Considerations from Music Perception The Journal of Neuroscience, 16 March 2016, 36(11): 3103-3105;......Dissociating Prediction Failure: Considerations from Music Perception The Journal of Neuroscience, 16 March 2016, 36(11): 3103-3105;...

  14. Dissociating Attention Effects from Categorical Perception with ERP Functional Microstates

    Science.gov (United States)

    Dering, Benjamin; Donaldson, David I.

    2016-01-01

    When faces appear in our visual environment we naturally attend to them, possibly to the detriment of other visual information. Evidence from behavioural studies suggests that faces capture attention because they are more salient than other types of visual stimuli, reflecting a category-dependent modulation of attention. By contrast, neuroimaging data has led to a domain-specific account of face perception that rules out the direct contribution of attention, suggesting a dedicated neural network for face perception. Here we sought to dissociate effects of attention from categorical perception using Event Related Potentials. Participants viewed physically matched face and butterfly images, with each category acting as a target stimulus during different blocks in an oddball paradigm. Using a data-driven approach based on functional microstates, we show that the locus of endogenous attention effects with ERPs occurs in the N1 time range. Earlier categorical effects were also found around the level of the P1, reflecting either an exogenous increase in attention towards face stimuli, or a putative face-selective measure. Both category and attention effects were dissociable from one another hinting at the role that faces may play in early capturing of attention before top-down control of attention is observed. Our data support the conclusion that certain object categories, in this experiment, faces, may capture attention before top-down voluntary control of attention is initiated. PMID:27657921

  15. Collision-induced dissociation pathways of yeast sphingolipids and their molecular profiling in total lipid extracts: a study by quadrupole TOF and linear ion trap-orbitrap mass spectrometry

    DEFF Research Database (Denmark)

    Ejsing, Christer S.; Moehring, Thomas; Bahr, Ute

    2006-01-01

    The yeast Saccharomyces cerevisiae synthesizes three classes of sphingolipids: inositolphosphoceramides (IPCs), mannosyl-inositolphosphoceramides (MIPCs), and mannosyl-diinositolphosphoceramides (M(IP)2C). Tandem mass spectrometry of their molecular anions on a hybrid quadrupole time-of-flight (Qq......TOF) instrument produced fragments of inositol-containing head groups, which were specific for each lipid class. MS(n) analysis performed on a hybrid linear ion trap-orbitrap (LTQ Orbitrap) mass spectrometer with better than 3 ppm mass accuracy identified fragment ions specific for the amide-linked fatty acid...

  16. Capture of Trojans by Jumping Jupiter

    CERN Document Server

    Nesvorny, David; Morbidelli, Alessandro

    2013-01-01

    Jupiter Trojans are thought to be survivors of a much larger population of planetesimals that existed in the planetary region when planets formed. They can provide important constraints on the mass and properties of the planetesimal disk, and its dispersal during planet migration. Here we tested a possibility that the Trojans were captured during the early dynamical instability among the outer planets (aka the Nice model), when the semimajor axis of Jupiter was changing as a result of scattering encounters with an ice giant. The capture occurs in this model when Jupiter's orbit and its Lagrange points become radially displaced in a scattering event and fall into a region populated by planetesimals (that previously evolved from their natal transplanetary disk to ~5 AU during the instability). Our numerical simulations of the new capture model, hereafter jump capture, satisfactorily reproduce the orbital distribution of the Trojans and their total mass. The jump capture is potentially capable of explaining the ...

  17. Encapsulated liquid sorbents for carbon dioxide capture.

    Science.gov (United States)

    Vericella, John J; Baker, Sarah E; Stolaroff, Joshuah K; Duoss, Eric B; Hardin, James O; Lewicki, James; Glogowski, Elizabeth; Floyd, William C; Valdez, Carlos A; Smith, William L; Satcher, Joe H; Bourcier, William L; Spadaccini, Christopher M; Lewis, Jennifer A; Aines, Roger D

    2015-02-05

    Drawbacks of current carbon dioxide capture methods include corrosivity, evaporative losses and fouling. Separating the capture solvent from infrastructure and effluent gases via microencapsulation provides possible solutions to these issues. Here we report carbon capture materials that may enable low-cost and energy-efficient capture of carbon dioxide from flue gas. Polymer microcapsules composed of liquid carbonate cores and highly permeable silicone shells are produced by microfluidic assembly. This motif couples the capacity and selectivity of liquid sorbents with high surface area to facilitate rapid and controlled carbon dioxide uptake and release over repeated cycles. While mass transport across the capsule shell is slightly lower relative to neat liquid sorbents, the surface area enhancement gained via encapsulation provides an order-of-magnitude increase in carbon dioxide absorption rates for a given sorbent mass. The microcapsules are stable under typical industrial operating conditions and may be used in supported packing and fluidized beds for large-scale carbon capture.

  18. Video Screen Capture Basics

    Science.gov (United States)

    Dunbar, Laura

    2014-01-01

    This article is an introduction to video screen capture. Basic information of two software programs, QuickTime for Mac and BlueBerry Flashback Express for PC, are also discussed. Practical applications for video screen capture are given.

  19. Atrial dissociation in a middle aged patient: a case report.

    Directory of Open Access Journals (Sweden)

    Shokoufeh Hajsadeghi

    2014-08-01

    Full Text Available Atrial dissociation is characterized by different types of P waves captured in an electrocardiogram, usually seen in critically ill or post-cardiac transplantation patients. Our case demonstrates a 55-year-old man, presenting with chest pain (unstable angina in the emergency department with transient double-P waves; representing the phenomenon. Our case did not have any of the suggested causes or any known cardiac problems; therefore, with ruling out other differential diagnosis, researches must be done to find another explanation, if repeated.

  20. Combined Pulsed-Q dissociation and electron transfer dissociation for identification and quantitation of iTRAQ–labeled phosphopeptides

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Feng; Wu, Si; Stenoien, David L.; Zhao, Rui; Monroe, Matthew E.; Gritsenko, Marina A.; Purvine, Samuel O.; Polpitiya, Ashoka D.; Tolic, Nikola; Zhang, Qibin; Norbeck, Angela D.; Orton, Daniel J.; Moore, Ronald J.; Tang, Keqi; Anderson, Gordon A.; Pasa-Tolic, Ljiljana; Camp, David G.; Smith, Richard D.

    2009-05-15

    Multiplex isobaric tags for relative and absolute quantification (iTRAQ) enable high-throughput quantification of peptides via reporter ion signals in the low mass range of tandem mass spectra. A challenging but highly promising application is to analyze iTRAQ-labeled peptides using a sensitive linear ion trap mass spectrometer (LTQ-MS) and pulsed Q dissociation (PQD), a form of ion trap collision activated dissociation (CAD) designed to allow detection of low mass-to-charge fragment ions. Electron dissociation transfer (ETD), on the other hand, is complementary to PQD and is especially useful for sequencing peptides containing post-translational modifications (PTMs). Here, we developed an integrated workflow for robust and accurate quantitative identification of iTRAQ labeled phosphopeptides that integrates the PQD and ETD fragmentation methods together with PQD optimization, data management and bioinformatics tools. Analysis of the phosphoproteome of human fibroblast cells demonstrated that this hybrid mode is superior to either PQD or ETD alone for phosphopeptide identification and quantitation. The combined PQD/ETD approach can qualitatively identify additional phosphopeptides than ETD alone and PQD information can provide better quantitation of ETD identified iTRAQ-labeled phosphopeptides.

  1. Atmospheric mass deposition by captured planetesimals

    Science.gov (United States)

    Iaroslavitz, Eyal; Podolak, Morris

    2007-04-01

    We examine the deposition of heavy elements in the envelope of a protoplanet growing according to the core accretion scenario of Pollack et al. [Pollack, J.B., Hubickyj, O., Bodenheimer, P., Lissauer, J.J., Podolak, M., Greenzweig, Y., 1996. Icarus 124, 62-85]. We use their atmospheric models and the deposition rates that they computed, and we calculate the amount of heavy elements that can be dissolved in the envelope. For planetesimals composed of a mixture of water, CHON, and rock, we find that almost all of the water is dissolved in the atmosphere. A substantial amount of CHON is also dissolved but it remains sequestered at high temperatures near the core. Some fraction of the rock is also dissolved in the very high temperature region near the core envelope boundary. If this dissolved material can be mixed upward later in the planet's evolution, the resulting structure would be much closer to that determined by matching the moments of Jupiter's gravitational field.

  2. Waveform Catalog, Extreme Mass Ratio Binary (Capture)

    Data.gov (United States)

    National Aeronautics and Space Administration — Numerically-generated gravitational waveforms for circular inspiral into Kerr black holes. These waveforms were developed using Scott Hughes' black hole perturbation...

  3. Capture Their Attention: Capturing Lessons Using Screen Capture Software

    Science.gov (United States)

    Drumheller, Kristina; Lawler, Gregg

    2011-01-01

    When students miss classes for university activities such as athletic and academic events, they inevitably miss important class material. Students can get notes from their peers or visit professors to find out what they missed, but when students miss new and challenging material these steps are sometimes not enough. Screen capture and recording…

  4. Experimental Evaluation of the Effect of Angle-of-attack on the External Aerodynamics and Mass Capture of a Symmetric Three-engine Air-breathing Launch Vehicle Configuration at Supersonic Speeds

    Science.gov (United States)

    Kim, Hyun D.; Frate, Franco C.

    2001-01-01

    A subscale aerodynamic model of the GTX air-breathing launch vehicle was tested at NASA Glenn Research Center's 10- by 10-Foot Supersonic Wind Tunnel from Mach 2.0 to 3.5 at various angles-of-attack. The objective of the test was to investigate the effect of angle-of-attack on inlet mass capture, inlet diverter effectiveness, and the flowfield at the cowl lip plane. The flow-through inlets were tested with and without boundary-layer diverters. Quantitative measurements such as inlet mass flow rates and pitot-pressure distributions in the cowl lip plane are presented. At a 3deg angle-of-attack, the flow rates for the top and side inlets were within 8 percent of the zero angle-of-attack value, and little distortion was evident at the cowl lip plane. Surface oil flow patterns showing the shock/boundary-layer interaction caused by the inlet spikes are shown. In addition to inlet data, vehicle forebody static pressure distributions, boundary-layer profiles, and temperature-sensitive paint images to evaluate the boundary-layer transition are presented. Three-dimensional parabolized Navier-Stokes computational fluid dynamics calculations of the forebody flowfield are presented and show good agreement with the experimental static pressure distributions and boundary-layer profiles. With the boundary-layer diverters installed, no adverse aerodynamic phenomena were found that would prevent the inlets from operating at the required angles-of-attack. We recommend that phase 2 of the test program be initiated, where inlet contraction ratio and diverter geometry variations will be tested.

  5. [Determination of short-chain chlorinated paraffins in ambient air using high-volume sampling combined with high resolutimi gas chromatography-electron capture negative ion-low resolution mass spectrometry].

    Science.gov (United States)

    Shi, Loimeng; Gao, Yuan; Hou, Xiaohong; Zhang, Haijun; Zhang, Yichi; Chen, Jiping

    2016-02-01

    An analytical method for quantifying short-chain chlorinated paraffins (SCCPs) in ambient air using high-volume sampling combined with high resolution gas chromatography-electron capture negative ion-low resolution mass spectrometry ( HRGC-ECNI-LRMS) was developed. An acidified silica gel column and a basic alumina column were used to optimize the cleanup procedures. The results showed a good linearity (R2>0. 99) between the total response factors and the degree of chlorination of SCCPs in the content range of 58. 1%-63. 3%. The limits of detection (S/N ≥3) and the limits of quantification (S/N ≥ 10) were 4. 2 and 12 µg, respectively. The method detection limit (MDL) for SCCPs was 0. 34 ng/m3 (n = 7). The recoveries of SCCPs in air samples were in the range of 81. 9% to 94. 2%. It is demonstrated that the method is suitable for the quantitative analysis of SCCPs in air samples.

  6. Selective capture and rapid identification of Panax notoginseng metabolites in rat faeces by the integration of magnetic molecularly imprinted polymers and high-performance liquid chromatography coupled with orbitrap mass spectrometry.

    Science.gov (United States)

    Cai, Qizhi; Yang, Zaiyue; Chen, Ning; Zhou, Xuemin; Hong, Junli

    2016-07-15

    In the present work, an advanced pretreatment method magnetic molecular imprinted polymers-dispersive solid phase extraction (MMIPs-DSPE) combined with the high sensitivity LTQ-Orbitrap mass spectrometry was applied to the complicated metabolites analysis of Traditional Chinese Medicines (TCMs) in complex matrices. The ginsenoside Rb1 magnetic molecular imprinted polymers (Rb1-MMIPs) were successfully synthesized for specific recognition and selective enrichment of Panax notoginseng saponin metabolites in rat faeces. The polymers were prepared by using Fe3O4@SiO2 as the supporting material, APTES as the functional monomer and TEOS as the cross-linker. The Rb1-MMIPs showed quick separation (10.8 emu/g), large adsorption capacity (636μmol/g), high selectivity and fast binding kinetics (25min). Dispersion solid-phase extraction using Rb1-MMIPs (Rb1-MMIPs-DSPE) integrated with LTQ-Orbitrap MS was applied to fish out and identify saponin metabolites from rat faeces, and totally 58 related compounds were detected within 20min, including 26 PPD-group and 32 PPT-group notoginsenoside metabolites. Parallel tests showed that Rb1-MMIPs-DSPE obtained the lowest matrix effects of 0.98-14.84% and captured the largest number of structural analogues compared with traditional pretreatment methods organic solvent extraction (OSE) and solid phase extraction (SPE).

  7. Suitability of a magnetic particle immunoassay for the analysis of PBDEs in Hawaiian euryhaline fish and crabs in comparison with gas chromatography/electron capture detection-ion trap mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Xu Ting [College of Resources and Environmental Sciences, China Agricultural University, Beijing 100193 (China); Department of Molecular Biosciences and Bioengineering, University of Hawaii at Manoa, 1955 East-West Road, Honolulu, HI 96822 (United States); Cho, Il Kyu; Wang Dongli [Department of Molecular Biosciences and Bioengineering, University of Hawaii at Manoa, 1955 East-West Road, Honolulu, HI 96822 (United States); Rubio, Fernando M. [Abraxis LLC, 54 Steamwhistle Drive, Warminster, PA 18974 (United States); Shelver, Weilin L. [USDA-ARS Biosciences Research Laboratory, 1605 Albrecht Boulevard, Fargo, ND 58105 (United States); Gasc, Anne M.E. [Encore, Inc., P.O. Box 47, Waimanalo, HI 96795-0047 (United States); Li, Ji [College of Resources and Environmental Sciences, China Agricultural University, Beijing 100193 (China); Li, Qing X. [Department of Molecular Biosciences and Bioengineering, University of Hawaii at Manoa, 1955 East-West Road, Honolulu, HI 96822 (United States)], E-mail: qingl@hawaii.edu

    2009-02-15

    A gas chromatograph/electron capture detector-ion trap mass spectrometer (GC/ECD-ITMS) was used for the determination of polybrominated diphenyl ethers (PBDEs) in euryhaline fish and crabs. GC/ECD-ITMS results showed that average recoveries from the spiked fish samples are in a range of 58-123% with relative standard deviations (RSDs) of 5-19%. PBDE concentrations obtained from GC/ECD-ITMS ranged from 28 ng/g to 1845 ng/g lipid weight (lw) in all aquatic species collected from Hawaiian brackish waters. The general BDE congener concentration profile observed in this study is BDE-47 > BDE-100 > BDE-154 > BDE-99 > BDE-153 > BDE-28 > BDE-183. The ELISA results expressed as BDE-47 equivalents correlated well with those of GC/ECD-ITMS, with a correlation coefficient (R{sup 2} = 0.68) and regression coefficient (slope = 0.82). Comparison of ELISA with GC/ECD-ITMS results demonstrated that ELISA provides a timely and cost-effective method to screen PBDEs in fish and crab samples. - PBDEs (with the most abundant being BDE-47) at concentrations of 28-1845 ng/g lipid weight in fish and crabs from Hawaiian freshwater were detected with both ELISA and GC/MS.

  8. Rapid and simple determination of acrylamide in conventional cereal-based foods and potato chips through conversion to 3-[bis(trifluoroethanoyl)amino]-3-oxopropyl trifluoroacetate by gas chromatography coupled with electron capture and ion trap mass spectrometry detectors.

    Science.gov (United States)

    Russo, Mario Vincenzo; Avino, Pasquale; Centola, Angela; Notardonato, Ivan; Cinelli, Giuseppe

    2014-03-01

    A new, simple, rapid and fully validated method based on gas chromatography coupled with Electron capture and ion trap mass spectrometry detectors (GC-ECD and GC-IT/MS) is presented for quantitative analysis of acrylamide contaminant in conventional cereal-based foods and potato chips. Before analysis acrylamide was efficiently derivatized with trifluoroacetic anhydride, the effects of temperature, reaction time and catalyst on the acylation reaction were evaluated. Chromatographic analysis was performed on SE-54 capillary column; good retention and peak response of the acrylamide derivative achieved under the optimal conditions. The analytical method has been fully validated by assessment of the following parameters: LODs and LOQs (1 and 25ngg(-1) by GC-ECD and 2 and 36ngg(-1) by GC-IT/MS, with a Relative Standard Deviations acrylamide spiked at levels of 1, 20, 50 and 100ngg(-1)). Furthermore, the method proposed requires no clean-up step of the acrylamide derivative to be performed prior to injection. The developed method has been successfully applied to determine acrylamide in different commercial cereal-based foods (including French fries and potato chips).

  9. Surface Induced Dissociation Yields Quaternary Substructure of Refractory Noncovalent Phosphorylase B and Glutamate Dehydrogenase Complexes

    Science.gov (United States)

    Ma, Xin; Zhou, Mowei; Wysocki, Vicki H.

    2014-03-01

    Ion mobility (IM) and tandem mass spectrometry (MS/MS) coupled with native MS are useful for studying noncovalent protein complexes. Collision induced dissociation (CID) is the most common MS/MS dissociation method. However, some protein complexes, including glycogen phosphorylase B kinase (PHB) and L-glutamate dehydrogenase (GDH) examined in this study, are resistant to dissociation by CID at the maximum collision energy available in the instrument. Surface induced dissociation (SID) was applied to dissociate the two refractory protein complexes. Different charge state precursor ions of the two complexes were examined by CID and SID. The PHB dimer was successfully dissociated to monomers and the GDH hexamer formed trimeric subcomplexes that are informative of its quaternary structure. The unfolding of the precursor and the percentages of the distinct products suggest that the dissociation pathways vary for different charge states. The precursors at lower charge states (+21 for PHB dimer and +27 for GDH hexamer) produce a higher percentage of folded fragments and dissociate more symmetrically than the precusors at higher charge states (+29 for PHB dimer and +39 for GDH hexamer). The precursors at lower charge state may be more native-like than the higher charge state because a higher percentage of folded fragments and a lower percentage of highly charged unfolded fragments are detected. The combination of SID and charge reduction is shown to be a powerful tool for quaternary structure analysis of refractory noncovalent protein complexes, as illustrated by the data for PHB dimer and GDH hexamer.

  10. Dissociative Electron Attachment to Polyatomic Molecules - I : Water

    CERN Document Server

    Ram, N Bhargava; Krishnakumar, E

    2010-01-01

    Using the velocity map imaging technique, we studied and characterized the process of Dissociative Electron Attachment (DEA) in polyatomic molecules like Water, Hydrogen Sulphide, Ammonia, Methane, Formic Acid and Propyl Amine. We present the details of these studies in a series of 5 articles. In the first article here, we discuss the DEA process in gas phase water ($H_{2}O$ and $D_{2}O$) molecules. Electrons of 6.5 eV, 8.5 eV and 12 eV are captured by water molecules in neutral ground state to form $H_{2}O^{-*}$ ($D_{2}O^{-*}$) resonant states which dissociate into an anion fragment and one or more neutrals. Kinetic energy and angular distributions of the fragment anions $H^{-}$($D^{-}$) and $O^{-}$ produced from the three negative ion resonant states in the entire $2\\pi$ scattering range are obtained. Unique angular distribution patterns are observed at the 8.5 eV and 11.8 eV resonances showing dissociation dynamics beyond the axial recoil approximation.

  11. Quantitative evaluation of boron neutron capture therapy (BNCT) drugs for boron delivery and retention at subcellular-scale resolution in human glioblastoma cells with imaging secondary ion mass spectrometry (SIMS).

    Science.gov (United States)

    Chandra, S; Ahmad, T; Barth, R F; Kabalka, G W

    2014-06-01

    Boron neutron capture therapy (BNCT) of cancer depends on the selective delivery of a sufficient number of boron-10 ((10)B) atoms to individual tumour cells. Cell killing results from the (10)B (n, α)(7) Li neutron capture and fission reactions that occur if a sufficient number of (10)B atoms are localized in the tumour cells. Intranuclear (10)B localization enhances the efficiency of cell killing via damage to the DNA. The net cellular content of (10)B atoms reflects both bound and free pools of boron in individual tumour cells. The assessment of these pools, delivered by a boron delivery agent, currently cannot be made at subcellular-scale resolution by clinically applicable techniques such as positron emission tomography and magnetic resonance imaging. In this study, a secondary ion mass spectrometry based imaging instrument, a CAMECA IMS 3f ion microscope, capable of 500 nm spatial resolution was employed. Cryogenically prepared cultured human T98G glioblastoma cells were evaluated for boron uptake and retention of two delivery agents. The first, L-p-boronophenylalanine (BPA), has been used clinically for BNCT of high-grade gliomas, recurrent tumours of the head and neck region and melanomas. The second, a boron analogue of an unnatural amino acid, 1-amino-3-borono-cyclopentanecarboxylic acid (cis-ABCPC), has been studied in rodent glioma and melanoma models by quantification of boron in the nucleus and cytoplasm of individual tumour cells. The bound and free pools of boron were assessed by exposure of cells to boron-free nutrient medium. Both BPA and cis-ABCPC delivered almost 70% of the pool of boron in the free or loosely bound form to the nucleus and cytoplasm of human glioblastoma cells. This free pool of boron could be easily mobilized out of the cell and was in some sort of equilibrium with extracellular boron. In the case of BPA, the intracellular free pool of boron also was affected by the presence of phenylalanine in the nutrient medium. This

  12. Iodine neutron capture therapy

    Science.gov (United States)

    Ahmed, Kazi Fariduddin

    A new technique, Iodine Neutron Capture Therapy (INCT) is proposed to treat hyperthyroidism in people. Present thyroid therapies, surgical removal and 131I treatment, result in hypothyroidism and, for 131I, involve protracted treatment times and excessive whole-body radiation doses. The new technique involves using a low energy neutron beam to convert a fraction of the natural iodine stored in the thyroid to radioactive 128I, which has a 24-minute half-life and decays by emitting 2.12-MeV beta particles. The beta particles are absorbed in and damage some thyroid tissue cells and consequently reduce the production and release of thyroid hormones to the blood stream. Treatment times and whole-body radiation doses are thus reduced substantially. This dissertation addresses the first of the several steps needed to obtain medical profession acceptance and regulatory approval to implement this therapy. As with other such programs, initial feasibility is established by performing experiments on suitable small mammals. Laboratory rats were used and their thyroids were exposed to the beta particles coming from small encapsulated amounts of 128I. Masses of 89.0 mg reagent-grade elemental iodine crystals have been activated in the ISU AGN-201 reactor to provide 0.033 mBq of 128I. This activity delivers 0.2 Gy to the thyroid gland of 300-g male rats having fresh thyroid tissue masses of ˜20 mg. Larger iodine masses are used to provide greater doses. The activated iodine is encapsulated to form a thin (0.16 cm 2/mg) patch that is then applied directly to the surgically exposed thyroid of an anesthetized rat. Direct neutron irradiation of a rat's thyroid was not possible due to its small size. Direct in-vivo exposure of the thyroid of the rat to the emitted radiation from 128I is allowed to continue for 2.5 hours (6 half-lives). Pre- and post-exposure blood samples are taken to quantify thyroid hormone levels. The serum T4 concentration is measured by radioimmunoassay at

  13. Neutron Capture Nucleosynthesis

    CERN Document Server

    Kiss, Miklos

    2016-01-01

    Heavy elements (beyond iron) are formed in neutron capture nucleosynthesis processes. We have proposed a simple unified model to investigate the neutron capture nucleosynthesis in arbitrary neutron density environment. We have also investigated what neutron density is required to reproduce the measured abundance of nuclei assuming equilibrium processes. We found both of these that the medium neutron density has a particularly important role at neutron capture nucleosynthesis. About these results most of the nuclei can formed at medium neutron capture density environment e.g. in some kind of AGB stars. Besides these observations our model is capable to use educational purpose.

  14. Capture ready study

    Energy Technology Data Exchange (ETDEWEB)

    Minchener, A.

    2007-07-15

    There are a large number of ways in which the capture of carbon as carbon dioxide (CO{sub 2}) can be integrated into fossil fuel power stations, most being applicable for both gas and coal feedstocks. To add to the choice of technology is the question of whether an existing plant should be retrofitted for capture, or whether it is more attractive to build totally new. This miscellany of choices adds considerably to the commercial risk of investing in a large power station. An intermediate stage between the non-capture and full capture state would be advantageous in helping to determine the best way forward and hence reduce those risks. In recent years the term 'carbon capture ready' or 'capture ready' has been coined to describe such an intermediate stage plant and is now widely used. However a detailed and all-encompassing definition of this term has never been published. All fossil fuel consuming plant produce a carbon dioxide gas byproduct. There is a possibility of scrubbing it with an appropriate CO{sub 2} solvent. Hence it could be said that all fossil fuel plant is in a condition for removal of its CO{sub 2} effluent and therefore already in a 'capture ready' state. Evidently, the practical reality of solvent scrubbing could cost more than the rewards offered by such as the ETS (European Trading Scheme). In which case, it can be said that although the possibility exists of capturing CO{sub 2}, it is not a commercially viable option and therefore the plant could not be described as ready for CO{sub 2} capture. The boundary between a capture ready and a non-capture ready condition using this definition cannot be determined in an objective and therefore universally acceptable way and criteria must be found which are less onerous and less potentially contentious to assess. 16 refs., 2 annexes.

  15. Determination of acrylamide in Chinese traditional carbohydrate-rich foods using gas chromatography with micro-electron capture detector and isotope dilution liquid chromatography combined with electrospray ionization tandem mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Yu [Department of Food Science and Nutrition, College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310029, Zhejiang Province (China); Ren Yiping [Zhejiang Provincial Center for Disease Prevention and Control, Hangzhou 310009, Zhejiang Province (China); Zhao Hangmei [Department of Food Science and Nutrition, College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310029, Zhejiang Province (China); Zhang Ying [Department of Food Science and Nutrition, College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310029, Zhejiang Province (China)]. E-mail: y_zhang@zju.edu.cn

    2007-02-19

    The present study developed two analytical methods for quantification of acrylamide in complex food matrixes, such as Chinese traditional carbohydrate-rich foods. One is based on derivatization with potassium bromate and potassium bromide without clean-up prior to gas chromatography with micro-electron capture detector (GC-MECD). Alternatively, the underivatized acrylamide was detected by high-performance liquid chromatography coupled to quadrupole tandem mass spectrometry (HPLC-MS/MS) in the positive electrospray ionization mode. For both methods, the Chinese carbohydrate-rich samples were homogenized, defatted with petroleum ether and extracted with aqueous solution of sodium chloride. Recovery rates for acrylamide from spiked Chinese style foods with the spiking level of 50, 500 and 1000 {mu}g kg{sup -1} were in the range of 79-93% for the GC-MECD including derivatization and 84-97% for the HPLC-MS/MS method. Typical quantification limits of the HPLC-MSMS method were 4 {mu}g kg{sup -1} for acrylamide. The GC-MECD method achieved quantification limits of 10 {mu}g kg{sup -1} in Chinese style foods. Thirty-eight Chinese traditional foods purchased from different manufacturers were analyzed and compared with four Western style foods. Acrylamide contaminant was found in all of samples at the concentration up to 771.1 and 734.5 {mu}g kg{sup -1} detected by the GC and HPLC method, respectively. The concentrations determined with the two different quantitative methods corresponded well with each other. A convenient and fast pretreatment procedure will be optimized in order to satisfy further investigation of hundreds of samples.

  16. Determination of acrylamide in Chinese traditional carbohydrate-rich foods using gas chromatography with micro-electron capture detector and isotope dilution liquid chromatography combined with electrospray ionization tandem mass spectrometry.

    Science.gov (United States)

    Zhang, Yu; Ren, Yiping; Zhao, Hangmei; Zhang, Ying

    2007-02-19

    The present study developed two analytical methods for quantification of acrylamide in complex food matrixes, such as Chinese traditional carbohydrate-rich foods. One is based on derivatization with potassium bromate and potassium bromide without clean-up prior to gas chromatography with micro-electron capture detector (GC-MECD). Alternatively, the underivatized acrylamide was detected by high-performance liquid chromatography coupled to quadrupole tandem mass spectrometry (HPLC-MS/MS) in the positive electrospray ionization mode. For both methods, the Chinese carbohydrate-rich samples were homogenized, defatted with petroleum ether and extracted with aqueous solution of sodium chloride. Recovery rates for acrylamide from spiked Chinese style foods with the spiking level of 50, 500 and 1000 microg kg(-1) were in the range of 79-93% for the GC-MECD including derivatization and 84-97% for the HPLC-MS/MS method. Typical quantification limits of the HPLC-MSMS method were 4 microg kg(-1) for acrylamide. The GC-MECD method achieved quantification limits of 10 microg kg(-1) in Chinese style foods. Thirty-eight Chinese traditional foods purchased from different manufacturers were analyzed and compared with four Western style foods. Acrylamide contaminant was found in all of samples at the concentration up to 771.1 and 734.5 microg kg(-1) detected by the GC and HPLC method, respectively. The concentrations determined with the two different quantitative methods corresponded well with each other. A convenient and fast pretreatment procedure will be optimized in order to satisfy further investigation of hundreds of samples.

  17. CAPTURED India Country Evaluation

    NARCIS (Netherlands)

    O'Donoghue, R.; Brouwers, J.H.A.M.

    2012-01-01

    This report provides the findings of the India Country Evaluation and is produced as part of the overall CAPTURED End Evaluation. After five years of support by the CAPTURED project the End Evaluation has assessed that results are commendable. I-AIM was able to design an approach in which health fol

  18. Carbon Capture and Storage

    NARCIS (Netherlands)

    Benson, S.M.; Bennaceur, K.; Cook, P.; Davison, J.; Coninck, H. de; Farhat, K.; Ramirez, C.A.; Simbeck, D.; Surles, T.; Verma, P.; Wright, I.

    2012-01-01

    Emissions of carbon dioxide, the most important long-lived anthropogenic greenhouse gas, can be reduced by Carbon Capture and Storage (CCS). CCS involves the integration of four elements: CO 2 capture, compression of the CO2 from a gas to a liquid or a denser gas, transportation of pressurized CO 2

  19. The dissociative recombination of fluorocarbon ions: II. CF{sup +}

    Energy Technology Data Exchange (ETDEWEB)

    Novotny, O [PALMS, UMR No 6627 du CNRS, Universite de Rennes I, 35042 Rennes (France); Mitchell, J B A [PALMS, UMR No 6627 du CNRS, Universite de Rennes I, 35042 Rennes (France); LeGarrec, J L [PALMS, UMR No 6627 du CNRS, Universite de Rennes I, 35042 Rennes (France); Florescu-Mitchell, A I [PALMS, UMR No 6627 du CNRS, Universite de Rennes I, 35042 Rennes (France); Rebrion-Rowe, C [PALMS, UMR No 6627 du CNRS, Universite de Rennes I, 35042 Rennes (France); Svendsen, A [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); El Ghazaly, M A [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); Andersen, L H [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); Ehlerding, A [Department of Physics, Stockholm University, Alba Nova, SE-106 91, Stockholm (Sweden); Viggiano, A A [Air Force Research Laboratory, Space Vehicles Directorate, 29 Randolph Road, Hanscom AFB, MA 01731 (United States); Hellberg, F [Department of Physics, Stockholm University, Alba Nova, SE-106 91, Stockholm (Sweden); Thomas, R D [Department of Physics, Stockholm University, Alba Nova, SE-106 91, Stockholm (Sweden); Zhaunerchyk, V [Department of Physics, Stockholm University, Alba Nova, SE-106 91, Stockholm (Sweden); Geppert, W D [Department of Physics, Stockholm University, Alba Nova, SE-106 91, Stockholm (Sweden); Montaigne, H [Department of Physics, Stockholm University, Alba Nova, SE-106 91, Stockholm (Sweden); Kaminska, M [Swietokrzyska Academy, 25-406 Kielce (Poland); Oesterdahl, F [Department of Physics, Royal Institute of Technology, Alba Nova, SE-106 91, Stockholm (Sweden); Larsson, M [Department of Physics, Stockholm University, Alba Nova, SE-106 91, Stockholm (Sweden)

    2005-05-28

    The dissociative recombination and excitation of CF{sup +} have been measured at the ASTRID and CRYRING storage rings. Though examination of the available potential energy curves would suggest that the recombination rate would be large for this ion, in fact a rate constant of 5.2 {+-} 1.0 x 10{sup -8} (T{sub e}/300){sup -0.8} cm{sup 3} s{sup -1} was found. The recombination cross section at low energies falls off to a minimum at 0.5 eV centre-of-mass collision energy but exhibits resonances at energies above this. The dissociative excitation cross section leading to C{sup +} + F was also measured and this displays an onset beginning at about 7 eV.

  20. The influence of porosity and structural parameters on different kinds of gas hydrate dissociation.

    Science.gov (United States)

    Misyura, S Y

    2016-07-22

    Methane hydrate dissociation at negative temperatures was studied experimentally for different artificial and natural samples, differing by macro- and micro-structural parameters. Four characteristic dissociation types are discussed in the paper. The internal kinetics of artificial granule gas hydrates and clathrate hydrates in coal is dependent on the porosity, defectiveness and gas filtration rate. The density of pores distribution in the crust of formed ice decreases by the several orders of magnitude and this change significantly the rate of decay. Existing models for describing dissociation at negative temperatures do not take into account the structural parameters of samples. The dissociation is regulated by internal physical processes that must be considered in the simulation. Non-isothermal dissociation with constant external heat flux was simulated numerically. The dissociation is simulated with consideration of heat and mass transfer, kinetics of phase transformation and gas filtering through a porous medium of granules for the negative temperatures. It is shown that the gas hydrate dissociation in the presence of mainly microporous structures is fundamentally different from the disintegration of gas hydrates containing meso and macropores.

  1. Stability and Degradation of Caffeoylquinic Acids under Different Storage Conditions Studied by High-Performance Liquid Chromatography with Photo Diode Array Detection and High-Performance Liquid Chromatography with Electrospray Ionization Collision-Induced Dissociation Tandem Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Meng Xue

    2016-07-01

    Full Text Available Caffeoylquinic acids (CQAs are main constituents in many herbal medicines with various biological and pharmacological effects. However, CQAs will degrade or isomerize when affected by temperature, pH, light, etc. In this study, high-performance liquid chromatography with photodiode array detection (HPLC-PDA and high-performance liquid chromatography tandem mass spectrometry (HPLC-MS/MS was utilized to study the stability and degradation of CQAs (three mono-acyl CQAs and four di-acyl CQAs under various ordinary storage conditions (involving different temperatures, solvents, and light irradiation. The results indicated that the stability of CQAs was mainly affected by temperature and light irradiation, while solvents did not affect it in any obvious way under the conditions studied. Mono-acyl CQAs were generally much more stable than di-acyl CQAs under the same conditions. Meanwhile, the chemical structures of 30 degradation products were also characterized by HPLC-MSn, inferring that isomerization, methylation, and hydrolysis were three major degradation pathways. The result provides a meaningful clue for the storage conditions of CQAs standard substances and samples.

  2. Theory of dissociative tunneling ionization

    CERN Document Server

    Svensmark, Jens; Madsen, Lars Bojer

    2016-01-01

    We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is found by using the Born-Oppenheimer (BO) approximation in conjunction with the reflection principle. These spectra are compared to exact non-BO ab initio spectra obtained through model calculations with a quantum mechanical treatment of both the electronic and nuclear degrees freedom. In the regime where the BO approximation is applicable imaging of the BO nuclear wave function is demonstrated to be possible through reverse use of the reflection principle, when accounting appropriately for the electronic ionization rate. A qualitative difference between the exact and BO wave functions in the asymptotic region of large electronic distances is shown. Additionally the behavior of the wave function across the turning line is seen to be reminiscent of light refraction. For weak fiel...

  3. Dissociation of dicarboxylate and disulfonate dianions

    NARCIS (Netherlands)

    Ard, S.; Mirsaleh-Kohan, N.; Steill, J. D.; Oomens, J.; Nielsen, S. B.; Compton, R. N.

    2010-01-01

    Collision-induced dissociation (CID), along with infrared multiple photon dissociation/detachment (IRMPD) techniques, is utilized to study a series of doubly substituted aromatic dianions containing sulfonate and carboxylate functionalities (1,2- and 1,3-benzenedisulfonate, 1,5-naphthalenedisulfonat

  4. Dissociation and the Development of Psychopathology.

    Science.gov (United States)

    Putnam, Frank W.; Trickett, Penelope K.

    This paper reviews the research on dissociation and the development of psychopathology in children and adolescents. Definitions and dimensions of dissociation are addressed, noting its range from normative daydreaming to the extremes found in individuals with multiple personality disorder. Memory dysfunctions, disturbances of identity, passive…

  5. Coulomb dissociation of N-20,N-21

    NARCIS (Netherlands)

    Roeder, Marko; Adachi, Tatsuya; Aksyutina, Yulia; Alcantara, Juan; Altstadt, Sebastian; Alvarez-Pol, Hector; Ashwood, Nicholas; Atar, Leyla; Aumann, Thomas; Avdeichikov, Vladimir; Barr, M.; Beceiro, Saul; Bemmerer, Daniel; Benlliure, Jose; Bertulani, Carlos; Boretzky, Konstanze; Borge, Maria J. G.; Burgunder, G.; Caamano, Manuel; Caesar, Christoph; Casarejos, Enrique; Catford, Wilton; Cederkall, Joakim; Chakraborty, S.; Chartier, Marielle; Chulkov, Leonid; Cortina-Gil, Dolores; Crespo, Raquel; Pramanik, Ushasi Datta; Diaz-Fernandez, Paloma; Dillmann, Iris; Elekes, Zoltan; Enders, Joachim; Ershova, Olga; Estrade, A.; Farinon, F.; Fraile, Luis M.; Freer, Martin; Freudenberger, M.; Fynbo, Hans; Galaviz, Daniel; Geissel, Hans; Gernhaeuser, Roman; Goebel, Kathrin; Golubev, Pavel; Diaz, D. Gonzalez; Hagdahl, Julius; Heftrich, Tanja; Heil, Michael; Heine, Marcel; Heinz, Andreas; Henriques, Ana; Holl, Matthias; Ickert, G.; Ignatov, Alexander; Jakobsson, Bo; Johansson, Hakan; Jonson, Bjorn; Kalantar-Nayestanaki, Nasser; Kanungo, Rituparna; Kelic-Heil, Aleksandra; Knoebel, Ronja; Kroell, Thorsten; Kruecken, Reiner; Kurcewicz, J.; Kurz, Nikolaus; Labiche, Marc; Langer, Christoph; Le Bleis, Tudi; Lemmon, Roy; Lepyoshkina, Olga; Lindberg, Simon; Machado, Jorge; Marganiec, Justyna; Mostazo Caro, Magdalena; Movsesyan, Alina; Najafi, Mohammad Ali; Nilsson, Thomas; Nociforo, Chiara; Panin, Valerii; Paschalis, Stefanos; Perea, Angel; Petri, Marina; Pietri, S.; Plag, Ralf; Prochazka, A.; Rahaman, Md. Anisur; Rastrepina, Ganna; Reifarth, Rene; Ribeiro, Guillermo; Ricciardi, M. Valentina; Rigollet, Catherine; Riisager, Karsten; Rossi, Dominic; del Rio Saez, Jose Sanchez; Savran, Deniz; Scheit, Heiko; Simon, Haik; Sorlin, Olivier; Stoica, V.; Streicher, Branislav; Taylor, Jon; Tengblad, Olof; Terashima, Satoru; Thies, Ronja; Togano, Yasuhiro; Uberseder, Ethan; Van de Walle, J.; Velho, Paulo; Volkov, Vasily; Wagner, Andreas; Wamers, Felix; Weick, Helmut; Weigand, Mario; Wheldon, Carl; Wilson, G.; Wimmer, Christine; Winfield, J. S.; Woods, Philip; Yakorev, Dmitry; Zhukov, Mikhail; Zilges, Andreas; Zuber, Kai

    2016-01-01

    Neutron-rich light nuclei and their reactions play an important role in the creation of chemical elements. Here, data from a Coulomb dissociation experiment on N-20,N-21 are reported. Relativistic N-20,N-21 ions impinged on a lead target and the Coulomb dissociation cross section was determined in a

  6. Dissociative depression among women in the community.

    Science.gov (United States)

    Sar, Vedat; Akyüz, Gamze; Oztürk, Erdinç; Alioğlu, Firdevs

    2013-01-01

    This study screened the prevalence and correlates of dissociative disorders among depressive women in the general population. The Dissociative Disorders Interview Schedule and the posttraumatic stress disorder (PTSD) and borderline personality disorder sections of the Structured Clinical Interview for DSM-IV were administered to 628 women in 500 homes. The prevalence of current major depressive episode was 10.0%. Of the women, 26 (40.6%) had the lifetime diagnosis of a DSM-IV, dissociative disorder, yielding a prevalence of 4.1% for dissociative depression. This group was younger (mean age = 30.7 years) than the nondissociative depression women (mean age = 39.6 years). There was no difference between the 2 groups on comorbid somatization disorder, PTSD, or borderline personality disorder. Besides suicide attempts, the dissociative group was characterized by secondary features of dissociative identity disorder; Schneiderian symptoms; borderline personality disorder criteria; and extrasensory perceptions, including possession experiences. They reported suicidality, thoughts of guilt and worthlessness, diminished concentration and indecisiveness, and appetite and weight changes more frequently than the nondissociative group. Early cessation of school education and childhood sexual abuse were frequently reported by the dissociative depression group. With its distinct features, the concept of dissociative depression may facilitate understanding of treatment resistance in, development of better psychotherapy strategies for, and new thinking on the neurobiology and pharmacotherapy of depressive disorders.

  7. [Dissociative disorder and self-injury].

    Science.gov (United States)

    Noma, Shun'ichi

    2011-01-01

    Both the number of patients with dissociative disorder and that of those with self-injury have been increasing since the end of the twentieth century, suggesting that dissociation and self-injury might be closely related. When dissociative disorder coexists with self-injury, it implies self-punishment and a wish to be understood by others. Although many cases of self-injury observed since 2000 lacked traumatic experiences and were not accompanied by pathological dissociative symptoms, the patients did have dissociative tendencies. According to the results of our study examining self-injury in patients with eating disorders, we observed that self-injury, dissociative tendency and insulation from others are related to each other. This suggests that affects, sensations and representations are dissociated, losing their normal response order, and that the pervasive idea that "pain=secure" is formed in a patient from childhood based on influence from their parents. Self-injury appears to be an activation of this pervasive idea that is triggered by a stressful situation, when the dissociative psychological segmentation of effects and their representations are present in the background.

  8. Cognitive and dissociative manifestations in fibromyalgia.

    Science.gov (United States)

    Leavitt, Frank; Katz, Robert S; Mills, Megan; Heard, Amy R

    2002-04-01

    Memory decline and mental confusion frequently complicate the clinical presentation of fibromyalgia; however, formal cognitive examination often does not support deterioration. This paradox was examined in the context of dissociation, a condition with many cognitive similarities. Dissociation refers to the separation of parts of experience from the mainstream of consciousness. A common example is highway hypnosis. Eighty-nine fibromyalgia (FM) patients and 64 other rheumatic disease patients were screened for memory decline and mental confusion using a questionnaire format. Pain, dissociation, affective distress, fatigue, sleep difficulty, and mental confusion were also assessed. Cognitive complaints (76.4%-43.8%) and dissociative symptoms (37.1%-1.9%) were overrepresented in patients with FM. Among FM patients with high dissociation, cognitive difficulties were reported by 95%; 100% of these cases reported that both memory and mental clarity were affected, a condition referred to as fibrofog. Dissociation in combination with fibrofog was associated with higher levels of FM symptom intensity and decreased mental well being. These findings suggest that dissociation may play a role in FM symptom amplification and may aid in comprehending the regularity of cognitive symptoms. Separating cases of fibrofog from cognitive conditions with actual brain damage is important. It may be prudent to add a test of dissociation as an adjunct to the evaluation of FM patients in cases of suspected fibrofog. Otherwise, test results may prove normal even in patients with disabling cognitive symptoms.

  9. Dynamical Process of Dissociation of Excitons in Polymer Chains with Impurities

    Institute of Scientific and Technical Information of China (English)

    ZHAO Hong-Xia; ZHAO Hui; CHEN Yu-Guang

    2011-01-01

    @@ Within an extended Su-Schrieffer-Heeger model including impurity interactions,the dynamical process of exciton dissociation in the presence of an external electric field is investigated by using a non-adiabatic evolution method Under the action of impurities,the stability as well as the effective mass of the exciton is reduced.Our results show that the field required to dissociate the excitons depends sensitively on the strength of the impurity potential.As the impurity potential strength increases,the dissociation field decreases effectively.The theoretical results are expected to provide useful predictions concerning which polymers with properly impurity-assisted interactions are likely to be more suitable for use in organic solar cells.%Within an extended Su-Schrieffer-Heeger model including impurity interactions, the dynamical process ofexciton dissociation in the presence of an external electric field is investigated by using a non-adiabatic evolution method. Under the action of impurities, the stability as well as the effective mass of the exciton is reduced. Our results show that the field required to dissociate the excitons depends sensitively on the strength of the impurity potential. As the impurity potential strength increases, the dissociation field decreases effectively. The theoretical results are expected to provide useful predictions concerning which polymers with properly impurity-assisted interactions are likely to be more suitable for use in organic solar cells.

  10. Neutrino Masses

    CERN Document Server

    Weinheimer, Christian

    2013-01-01

    The various experiments on neutrino oscillation evidenced that neutrinos have indeed non-zero masses but cannot tell us the absolute neutrino mass scale. This scale of neutrino masses is very important for understanding the evolution and the structure formation of the universe as well as for nuclear and particle physics beyond the present Standard Model. Complementary to deducing constraints on the sum of all neutrino masses from cosmological observations two different methods to determine the neutrino mass scale in the laboratory are pursued: the search for neutrinoless double $\\beta$-decay and the direct neutrino mass search by investigating single $\\beta$-decays or electron captures. The former method is not only sensitive to neutrino masses but also probes the Majorana character of neutrinos and thus lepton number violation with high sensitivity. Currently quite a few experiments with different techniques are being constructed, commissioned or are even running, which aim for a sensitivity on the neutrino ...

  11. The Shutdown Dissociation Scale (Shut-D

    Directory of Open Access Journals (Sweden)

    Inga Schalinski

    2015-05-01

    Full Text Available The evolutionary model of the defense cascade by Schauer and Elbert (2010 provides a theoretical frame for a short interview to assess problems underlying and leading to the dissociative subtype of posttraumatic stress disorder. Based on known characteristics of the defense stages “fright,” “flag,” and “faint,” we designed a structured interview to assess the vulnerability for the respective types of dissociation. Most of the scales that assess dissociative phenomena are designed as self-report questionnaires. Their items are usually selected based on more heuristic considerations rather than a theoretical model and thus include anything from minor dissociative experiences to major pathological dissociation. The shutdown dissociation scale (Shut-D was applied in several studies in patients with a history of multiple traumatic events and different disorders that have been shown previously to be prone to symptoms of dissociation. The goal of the present investigation was to obtain psychometric characteristics of the Shut-D (including factor structure, internal consistency, retest reliability, predictive, convergent and criterion-related concurrent validity.A total population of 225 patients and 68 healthy controls were accessed. Shut-D appears to have sufficient internal reliability, excellent retest reliability, high convergent validity, and satisfactory predictive validity, while the summed score of the scale reliably separates patients with exposure to trauma (in different diagnostic groups from healthy controls.The Shut-D is a brief structured interview for assessing the vulnerability to dissociate as a consequence of exposure to traumatic stressors. The scale demonstrates high-quality psychometric properties and may be useful for researchers and clinicians in assessing shutdown dissociation as well as in predicting the risk of dissociative responding.

  12. Is the dissociative adult suggestible? A test of the trauma and fantasy models of dissociation.

    Science.gov (United States)

    Kluemper, Nicole S; Dalenberg, Constance

    2014-01-01

    Psychologists have long assumed a connection between traumatic experience and psychological dissociation. This hypothesis is referred to as the trauma model of dissociation. In the past decade, a series of papers have been published that question this traditional causal link, proposing an alternative fantasy model of dissociation. In the present research, the relationship among dissociation, suggestibility, and fantasy proneness was examined. Suggestibility was measured through the Gudjonsson Scale of Interrogative Suggestibility (GSS) as well as an autobiographically based version of this measure based on the events of September 11, 2001. Consistent with prior research and with the trauma model, dissociation correlated positively with trauma severity (r = .32, p fantasy proneness (r = .60, p fantasy model, dissociation did not correlate with the neutral form of the GSS and correlated negatively (r = -.24, p fantasy model of dissociation.

  13. Marine turtle capture data

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — To estimate abundance, growth, and survival rate and to collect tissue samples, marine turtles are captured at nesting beaches and foraging grounds through various...

  14. Mass spectrometric immunoassay

    Science.gov (United States)

    Nelson, Randall W; Williams, Peter; Krone, Jennifer Reeve

    2007-12-04

    Rapid mass spectrometric immunoassay methods for detecting and/or quantifying antibody and antigen analytes utilizing affinity capture to isolate the analytes and internal reference species (for quantification) followed by mass spectrometric analysis of the isolated analyte/internal reference species. Quantification is obtained by normalizing and calibrating obtained mass spectrum against the mass spectrum obtained for an antibody/antigen of known concentration.

  15. Modeling pure methane hydrate dissociation using a numerical simulator from a novel combination of X-ray computed tomography and macroscopic data

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, A.; Moridis, G.J.; Kneafsey, T.J.; Sloan, Jr., E.D.

    2009-08-15

    The numerical simulator TOUGH+HYDRATE (T+H) was used to predict the transient pure methane hydrate (no sediment) dissociation data. X-ray computed tomography (CT) was used to visualize the methane hydrate formation and dissociation processes. A methane hydrate sample was formed from granular ice in a cylindrical vessel, and slow depressurization combined with thermal stimulation was applied to dissociate the hydrate sample. CT images showed that the water produced from the hydrate dissociation accumulated at the bottom of the vessel and increased the hydrate dissociation rate there. CT images were obtained during hydrate dissociation to confirm the radial dissociation of the hydrate sample. This radial dissociation process has implications for dissociation of hydrates in pipelines, suggesting lower dissociation times than for longitudinal dissociation. These observations were also confirmed by the numerical simulator predictions, which were in good agreement with the measured thermal data during hydrate dissociation. System pressure and sample temperature measured at the sample center followed the CH{sub 4} hydrate L{sub w}+H+V equilibrium line during hydrate dissociation. The predicted cumulative methane gas production was within 5% of the measured data. Thus, this study validated our simulation approach and assumptions, which include stationary pure methane hydrate-skeleton, equilibrium hydrate-dissociation and heat- and mass-transfer in predicting hydrate dissociation in the absence of sediments. It should be noted that the application of T+H for the pure methane hydrate system (no sediment) is outside the general applicability limits of T+H.

  16. Dissociation of methanol in intense femtosecond laser field

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Methanol was irradiated by 80 fs laser pulse, intensity range of 1013-1014 W/cm2. A TOF-mass spectrometer was coupled to the laser system and used to detect the ions produced. The parent ions CH3OH+ appeared firstly at the laser intensity of 1.4×1013 W/cm2. While the laser intensity was gradually increased, the parent ions were dissociated and the primary ions CH2OH+ were given as verified from the irradiation of deuterated methanol (CH3OD) showing the C-H bond cracking firstly. While the laser intensity was further increased to 2.0 ×1013 W/cm2, the C-O bonds of the parent ions also broke to give CH3+. When the laser intensity was higher, smaller fragment ions like CH+, C+, OH+ and O+ also appeared. Among the fragment ions, only H+ ion yield had anisotropic angular distribution dependence on the laser polarization vector in the dissociation of methanol. All the experimental observations show that the dissociation of methanol proceeds through stepwise mechanism but not Coulomb explosion.

  17. From state dissociation to status dissociatus.

    Science.gov (United States)

    Antelmi, Elena; Ferri, Raffaele; Iranzo, Alex; Arnulf, Isabelle; Dauvilliers, Yves; Bhatia, Kailash P; Liguori, Rocco; Schenck, Carlos H; Plazzi, Giuseppe

    2016-08-01

    The states of being are conventionally defined by the simultaneous occurrence of behavioral, neurophysiological and autonomic descriptors. State dissociation disorders are due to the intrusion of features typical of a different state into an ongoing state. Disorders related to these conditions are classified according to the ongoing main state and comprise: 1) Dissociation from prevailing wakefulness as seen in hypnagogic or hypnopompic hallucinations, automatic behaviors, sleep drunkenness, cataplexy and sleep paralysis 2) Dissociation from rapid eye movement (REM) sleep as seen in REM sleep behavior disorder and lucid dreaming and 3) Dissociation from NREM sleep as seen in the disorders of arousal. The extreme expression of states dissociation is characterized by the asynchronous occurrence of the various components of the different states that prevents the recognition of any state of being. This condition has been named status dissociatus. According to the underlying disorders/diseases and to their severity, among status dissociatus we may recognize disorders in which such an extreme dissociation occurs only at night time or intermittently (i.e., autoimmune encephalopathies, narcolepsy type 1 and IgLON5 parasomnia), and others in which it occurs nearly continuously with complete loss of any conventionally defined state of being, and of the circadian pattern (agrypnia excitata). Here, we render a comprehensive review of all diseases/disorders associated with state dissociation and status dissociatus and propose a critical classification of this complex scenario.

  18. CAPTURE OF TROJANS BY JUMPING JUPITER

    Energy Technology Data Exchange (ETDEWEB)

    Nesvorny, David [Department of Space Studies, Southwest Research Institute, 1050 Walnut St., Suite 300, Boulder, CO 80302 (United States); Vokrouhlicky, David [Institute of Astronomy, Charles University, V Holesovickach 2, 180 00 Prague 8 (Czech Republic); Morbidelli, Alessandro [Departement Cassiopee, University of Nice, CNRS, Observatoire de la Cote d' Azur, Nice, F-06304 (France)

    2013-05-01

    Jupiter Trojans are thought to be survivors of a much larger population of planetesimals that existed in the planetary region when planets formed. They can provide important constraints on the mass and properties of the planetesimal disk, and its dispersal during planet migration. Here, we tested a possibility that the Trojans were captured during the early dynamical instability among the outer planets (aka the Nice model), when the semimajor axis of Jupiter was changing as a result of scattering encounters with an ice giant. The capture occurs in this model when Jupiter's orbit and its Lagrange points become radially displaced in a scattering event and fall into a region populated by planetesimals (that previously evolved from their natal transplanetary disk to {approx}5 AU during the instability). Our numerical simulations of the new capture model, hereafter jump capture, satisfactorily reproduce the orbital distribution of the Trojans and their total mass. The jump capture is potentially capable of explaining the observed asymmetry in the number of leading and trailing Trojans. We find that the capture probability is (6-8) Multiplication-Sign 10{sup -7} for each particle in the original transplanetary disk, implying that the disk contained (3-4) Multiplication-Sign 10{sup 7} planetesimals with absolute magnitude H < 9 (corresponding to diameter D = 80 km for a 7% albedo). The disk mass inferred from this work, M{sub disk} {approx} 14-28 M{sub Earth}, is consistent with the mass deduced from recent dynamical simulations of the planetary instability.

  19. Muon capture at PSI

    CERN Document Server

    Winter, Peter

    2010-01-01

    Measuring the rate of muon capture in hydrogen provides one of the most direct ways to study the axial current of the nucleon. The MuCap experiment uses a negative muon beam stopped in a time projection chamber operated with ultra-pure hydrogen gas. Surrounded by a decay electron detector, the lifetime of muons in hydrogen can be measured to determine the singlet capture rate Lambda_s to a final precision of 1%. The capture rate determines the nucleon's pseudoscalar form factor g_p. A first result, g_p = 7.3 +- 1.1, has been published and the final analysis of the full statistics will reduce the error by a factor of up to 3. Muon capture on the deuteron probes the weak axial current in the two-nucleon system. Within the framework of effective field theories the calculation of such two-nucleon processes involving the axial current requires the knowledge of one additional low energy constant which can be extracted from the doublet capture rate Lambda_d. The same constant then allows to model-independently calcu...

  20. Reach tracking reveals dissociable processes underlying cognitive control.

    Science.gov (United States)

    Erb, Christopher D; Moher, Jeff; Sobel, David M; Song, Joo-Hyun

    2016-07-01

    The current study uses reach tracking to investigate how cognitive control is implemented during online performance of the Stroop task (Experiment 1) and the Eriksen flanker task (Experiment 2). We demonstrate that two of the measures afforded by reach tracking, initiation time and reach curvature, capture distinct patterns of effects that have been linked to dissociable processes underlying cognitive control in electrophysiology and functional neuroimaging research. Our results suggest that initiation time reflects a response threshold adjustment process involving the inhibition of motor output, while reach curvature reflects the degree of co-activation between response alternatives registered by a monitoring process over the course of a trial. In addition to shedding new light on fundamental questions concerning how these processes contribute to the cognitive control of behavior, these results present a framework for future research to investigate how these processes function across different tasks, develop across the lifespan, and differ among individuals.

  1. Muon capture in deuterium

    Science.gov (United States)

    Ricci, P.; Truhlík, E.; Mosconi, B.; Smejkal, J.

    2010-06-01

    Model dependence of the capture rates of the negative muon capture in deuterium is studied starting from potential models and the weak two-body meson exchange currents constructed in the tree approximation and also from an effective field theory. The tree one-boson exchange currents are derived from the hard pion chiral Lagrangians of the NΔπρωa system. If constructed in conjunction with the one-boson exchange potentials, the capture rates can be calculated consistently. On the other hand, the effective field theory currents, constructed within the heavy baryon chiral perturbation theory, contain a low energy constant d that cannot be extracted from data at the one-particle level nor determined from the first principles. Comparative analysis of the results for the doublet transition rate allows us to extract the constant d.

  2. Non-dissociative and dissociative ionization of a CO+ beam in intense ultrashort laser pulses

    Science.gov (United States)

    Gaire, B.; Ablikim, U.; Zohrabi, M.; Roland, S.; Carnes, K. D.; Ben-Itzhak, I.

    2011-05-01

    We have investigated the ionization of CO+ beams in intense ultrashort laser pulses. With the recent upgrades to our coincidence three-dimensional momentum imaging method we are able to measure both non-dissociative and dissociative ionization of the molecular-ion beam targets. Using CO+ as an example, we have found that non-dissociative ionization (leading to the metastable dication CO2+) involves a direct transition, i.e. the molecule is ionized with little or no internuclear distance stretch. Dissociative ionization (C+ + O+) occurs both directly and indirectly, stretching first and then ionizing. Our results show that the yield of dissociative ionization is higher than that of non-dissociative ionization and can be manipulated with the laser pulse duration by suppressing the indirect ionization path using ultrashort pulses (Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy.

  3. Dissociation and dissociative ionization of H2+ using the time-dependent surface flux method

    CERN Document Server

    Yue, Lun

    2014-01-01

    The time-dependent surface flux method developed for the description of electronic spectra [L. Tao and A. Scrinzi, New J. Phys. 14, 013021 (2012); A. Scrinzi, New J. Phys. 14, 085008 (2012)] is extended to treat dissociation and dissociative ionization processes of H2+ interacting with strong laser pulses. By dividing the simulation volume into proper spatial regions associated with the individual reaction channels and monitoring the probability flux, the joint energy spectrum for the dissociative ionization process and the energy spectrum for dissociation is obtained. The methodology is illustrated by solving the time-dependent Schr\\"{o}dinger equation (TDSE) for a collinear one-dimensional model of H2+ with electronic and nuclear motions treated exactly and validated by comparison with published results for dissociative ionization. The results for dissociation are qualitatively explained by analysis based on dressed diabatic Floquet potential energy curves, and the method is used to investigate the breakdow...

  4. US Spacesuit Knowledge Capture

    Science.gov (United States)

    Chullen, Cinda; Thomas, Ken; McMann, Joe; Dolan, Kristi; Bitterly, Rose; Lewis, Cathleen

    2011-01-01

    The ability to learn from both the mistakes and successes of the past is vital to assuring success in the future. Due to the close physical interaction between spacesuit systems and human beings as users, spacesuit technology and usage lends itself rather uniquely to the benefits realized from the skillful organization of historical information; its dissemination; the collection and identification of artifacts; and the education of those in the field. The National Aeronautics and Space Administration (NASA), other organizations and individuals have been performing United States (U.S.) Spacesuit Knowledge Capture since the beginning of space exploration. Avenues used to capture the knowledge have included publication of reports; conference presentations; specialized seminars; and classes usually given by veterans in the field. More recently the effort has been more concentrated and formalized whereby a new avenue of spacesuit knowledge capture has been added to the archives in which videotaping occurs engaging both current and retired specialists in the field presenting technical scope specifically for education and preservation of knowledge. With video archiving, all these avenues of learning can now be brought to life with the real experts presenting their wealth of knowledge on screen for future learners to enjoy. Scope and topics of U.S. spacesuit knowledge capture have included lessons learned in spacesuit technology, experience from the Gemini, Apollo, Skylab and Shuttle programs, hardware certification, design, development and other program components, spacesuit evolution and experience, failure analysis and resolution, and aspects of program management. Concurrently, U.S. spacesuit knowledge capture activities have progressed to a level where NASA, the National Air and Space Museum (NASM), Hamilton Sundstrand (HS) and the spacesuit community are now working together to provide a comprehensive closed-looped spacesuit knowledge capture system which includes

  5. Experimental Study on Mechanism of Depressurizing Dissociation of Methane Hydrate under Saturated Pore Fluid

    Institute of Scientific and Technical Information of China (English)

    Sun Youhong; Su Kai; Guo Wei; Li Bing; Jia Rui

    2016-01-01

    Sediment-hosted hydrate reservoir often contains saturated pore lfuid, which changes the heat transfer and mass transfer characteristics of the hydrate reservoir. The exploitation of hydrate under saturated pore lfuid using depressurization is simulated experimentally to investigate the inlfuence of particle size of porous media, dissociation temperature, pressure drop and injected lfuid type on gas production behavior. Homogeneous methane hydrate was ifrstly formed in frozen quartz sand. With the formed hydrate sample, hydrate dissociation experiments by depressurization were conducted. The test results showed that the gas production rate of hydrate under saturated pore lfuid was substantially inlfuenced by the particle size, the pressure drop and the injected lfuid type, while it was inlfuenced little by the dissociation temperature. The hydrate dissociates faster under larger pressure drop and in the presence of smaller porous media within the experimental region. The dissociation rate increases with an increasing lfuid salinity in the initial stage, while it decreases in the later stage. The increase of gas diffusion resistance resulted from ionic hydration atmosphere in saturated chloride solution impeded the dissociation of hydrate. It can be solved by increasing the pressure drop and decreasing the lfuid salinity in the process of gas recovery from hydrate reservoir.

  6. A gas chromatograph for quantification of peroxycarboxylic nitric anhydrides calibrated by thermal dissociation cavity ring-down spectroscopy

    Directory of Open Access Journals (Sweden)

    T. W. Tokarek

    2014-06-01

    Full Text Available The peroxycarboxylic nitric anhydrides (PANs, molecular formula RC(OO2NO2 can readily be observed by gas chromatography coupled to electron capture detection (PAN-GC. Calibration of a PAN-GC remains a challenge because the response factors (RF's differ for each of the PANs and because their synthesis in sufficiently high purity is non-trivial, in particular for PANs containing unsaturated side chains. In this manuscript, a PAN-GC and its calibration using diffusion standards, whose output was quantified by blue diode laser thermal dissociation cavity ring-down spectroscopy (TD-CRDS, are described. The PAN-GC peak areas correlated linearly with total peroxy nitrate (ΣPN mixing ratios measured by TD-CRDS (r > 0.96. Accurate determination of RF's required the concentrations of PAN impurities in the synthetic standards to be subtracted from ΣPN. The PAN-GC and its TD-CRDS calibration method were deployed during ambient air measurement campaigns in Abbotsford, BC, from 20 July to 5 August, 2012, and during the Fort McMurray Oil Sands Strategic Investigation of Local Sources (FOSSILS campaign at the AMS13 ground site in Fort McKay, AB, from 10 August to 5 September 2013. For the Abbotsford data set, the PAN-GC mixing ratios were compared and agreed with those determined in parallel by thermal dissociation chemical ionization mass spectrometry (TD-CIMS. Advantages and disadvantages of the PAN measurement techniques used in this work and the utility of TD-CRDS as a PAN-GC calibration method are discussed.

  7. Dissociable yet tied inhibitory processes: the structure of inhibitory control.

    Science.gov (United States)

    Michael, George A; Mizzi, Raphaël; Couffe, Cyril; Gálvez-García, Germán

    2014-09-01

    Cognitive and neural models have proposed the existence of a single inhibitory process that regulates behavior and depends on the right frontal operculum (rFO). The aim of this study was to make a contribution to the ongoing debate as to whether inhibition is a single process or is composed of multiple, independent processes. Here, within a single paradigm, we assessed the links between two inhibitory phenomena-namely, resistance to involuntary visual capture by abrupt onsets and resolving of spatial stimulus-response conflict. We did so by conducting three experiments, two involving healthy volunteers (Exps. 1 and 3), and one with the help of a well-documented patient, R.J., with selectively weakened inhibition following a lesion of the rFO. The results suggest that resistance to capture and stimulus-response conflict are independent, because (a) additive effects were found (Exps. 1 and 3), (b) capture did not correlate with compatibility effects (Exp. 1), (c) dual tasking affected the two phenomena differently (Exp. 3), and (d) a dissociation was found between the two in patient R.J. (Exp. 2). However, the results also show that these two phenomena may share some processing components, given that (a) both were affected in patient R.J., but to different degrees (Exp. 2), and (b) increasing the difficulty of dual tasking produced an increasingly negative correlation between capture and compatibility (Exp. 3), which suggests that when resources are withdrawn from the control of the former, they are used to control the latter.

  8. The co-occurrence of PTSD and dissociation: differentiating severe PTSD from dissociative-PTSD

    DEFF Research Database (Denmark)

    Armour, C.; Karstoft, K. I.; Richardson, J. D.

    2014-01-01

    -PTSD. The current study investigated the existence of a dissociative-PTSD subtype and explored whether a number of trauma and clinical covariates could differentiate between severe PTSD alone and dissociative-PTSD. The current study utilized a sample of 432 treatment seeking Canadian military veterans. Participants...... constituted a severe PTSD group (30.5 %), and one of which constituted a dissociative-PTSD group (13.7 %). None of the included, demographic, trauma, or clinical covariates were significantly predictive of membership in the dissociative-PTSD group compared to the severe PTSD group. In conclusion...

  9. Isotope effects in photo dissociation of ozone with visible light

    Science.gov (United States)

    Früchtl, Marion; Janssen, Christof; Röckmann, Thomas

    2014-05-01

    Ozone (O3) plays a key role for many chemical oxidation processes in the Earth's atmosphere. In these chemical reactions, ozone can transfer oxygen to other trace gases. This is particularly interesting, since O3 has a very peculiar isotope composition. Following the mass dependent fractionation equation δ17O = 0.52 * δ18O, most fractionation processes depend directly on mass. However, O3 shows an offset to the mass dependent fractionation line. Processes, which show such anomalies, are termed mass independent fractionations (MIF). A very well studied example for a chemical reaction that leads to mass independent fractionation is the O3 formation reaction. To what degree O3 destruction reactions need to be considered in order to understand the isotope composition of atmospheric O3 is still not fully understood and an open question within scientific community. We set up new experiments to investigate the isotope effect resulting from photo dissociation of O3 in the Chappuis band (R1). Initial O3 is produced by an electric discharge. After photolysis O3 is collected in a cold trap at the triple point temperature of nitrogen (63K). O3 is then converted to O2 in order to measure the oxygen isotopes of O3 using isotope ratio mass spectrometry. To isolate O3 photo dissociation (R1) from O3 decomposition (R2) and secondary O3 formation (R3), we use varying amounts of carbon monoxide (CO) as O atom quencher (R4). In this way we suppress the O + O3 reaction (R3) and determine the isotope fractionation in R1 and R2 separately. We present first results on the isotope effects in O3 photo dissociation with visible light in the presence of different bath gases. Results are interpreted based on chemical kinetics modeling. (R1) O3 + hυ → O (3P) + O2 (R2) O3 + O (3P) → 2 O2 (R3) O + O2 + M → O3 + M (R4) O (3P) + CO + M → CO2 + M

  10. Dissociative Recombination of Molecular Ions for Astrochemistry

    Science.gov (United States)

    Novotny, Oldrich; Becker, A.; Buhr, H.; Fleischmann, Andreas; Gamer, Lisa; Geppert, W.; Krantz, C.; Kreckel, H.; Schwalm, D.; Spruck, K.; Wolf, A.; Savin, Daniel Wolf

    2014-06-01

    Dissociative recombination (DR) of molecular ions is a key chemical process in the cold interstellar medium (ISM). DR affects the composition, charge state, and energy balance of such environments. Astrochemical models of the ISM require reliable total DR cross sections as well as knowledge of the chemical composition of the neutral DR products. We have systematically measured DR for many astrophysically relevant molecular ions utilizing the TSR storage ring at the Max-Planck-Institute for Nuclear Physics (MPIK) in Heidelberg, Germany. We used the merged ion-electron beam technique combined with an energy- and position-sensitive imaging detector and are able to study DR down to plasma temperatures as low as 10 K. The DR count rate is used to obtain an absolute merged beams DR rate coefficient from which we can derive a thermal rate coefficient needed for plasma models. Additionally we determine the masses of the DR products by measuring their kinetic energy in the laboratory reference frame. This allows us to assign particular DR fragmentation channels and to obtain their branching ratios. All this information is particularly important for understanding DR of heteronuclear polyatomic ions. We will present DR results for several ions recently investigated at TSR. A new Cryogenic Storage Ring (CSR) is currently being commissioned at MPIK. With the chamber cooled down to ~10 K and a base pressure better than 10-13 mbar, this setup will allow internal cooling of the stored ions down to their rotational ground states, thus opening a new era in DR experiments. New technological challenges arise due to the ultracold, ultra-high vacuum environment of the CSR and thus the detection techniques used at TSR cannot be easily transferred to CSR. We will present new approaches for DR fragment detection in cryogenic environment. This work is supported in part by NASA and the NSF.

  11. Telescoping Sample Canister Capture Mechanism (TSCCM)

    Science.gov (United States)

    Kong, Kin Yuen; Gorevan, Stephen; Mukherjee, Suparna; Wilson, Jack

    2003-11-01

    Sample return from solar system bodies including planets, moons, comets and asteroids is of high importance within the space science community. A returned sample will allow much more elaborate and detailed analysis not feasible through remote robotic analysis. For this reason, Honeybee Robotics has developed a low-cost reusable, automated on-orbit sample canister capture mechanism. The purpose of the mechanism is to capture a full sample canister and transfer it to a storage cache, sample return spacecraft, or on-orbit laboratory for further scientific study. The current design allows for reliable misalignment-compensated capture for various sample container geometries in any initial orientation. After capture, the sample canister is aligned and presented for transfer. Honeybee has demonstrated the concept through tests of two- and three-dimensional telescopic capture mechanism breadboards. The telescopic capture mechanism design is scalable, minimizes volume and can be made of lightweight material to minmize mass, all of which are critical aspects of spacecraft design.

  12. Neutron capture therapies

    Energy Technology Data Exchange (ETDEWEB)

    Yanch, Jacquelyn C. (Cambridge, MA); Shefer, Ruth E. (Newton, MA); Klinkowstein, Robert E. (Winchester, MA)

    1999-01-01

    In one embodiment there is provided an application of the .sup.10 B(n,.alpha.).sup.7 Li nuclear reaction or other neutron capture reactions for the treatment of rheumatoid arthritis. This application, called Boron Neutron Capture Synovectomy (BNCS), requires substantially altered demands on neutron beam design than for instance treatment of deep seated tumors. Considerations for neutron beam design for the treatment of arthritic joints via BNCS are provided for, and comparisons with the design requirements for Boron Neutron Capture Therapy (BNCT) of tumors are made. In addition, exemplary moderator/reflector assemblies are provided which produce intense, high-quality neutron beams based on (p,n) accelerator-based reactions. In another embodiment there is provided the use of deuteron-based charged particle reactions to be used as sources for epithermal or thermal neutron beams for neutron capture therapies. Many d,n reactions (e.g. using deuterium, tritium or beryllium targets) are very prolific at relatively low deuteron energies.

  13. Neutron capture therapies

    Energy Technology Data Exchange (ETDEWEB)

    Yanch, J.C.; Shefer, R.E.; Klinkowstein, R.E.

    1999-11-02

    In one embodiment there is provided an application of the {sup 10}B(n,{alpha}){sup 7}Li nuclear reaction or other neutron capture reactions for the treatment of rheumatoid arthritis. This application, called Boron Neutron Capture Synovectomy (BNCS), requires substantially altered demands on neutron beam design than for instance treatment of deep seated tumors. Considerations for neutron beam design for the treatment of arthritic joints via BNCS are provided for, and comparisons with the design requirements for Boron Neutron Capture Therapy (BNCT) of tumors are made. In addition, exemplary moderator/reflector assemblies are provided which produce intense, high-quality neutron beams based on (p,n) accelerator-based reactions. In another embodiment there is provided the use of deuteron-based charged particle reactions to be used as sources for epithermal or thermal neutron beams for neutron capture therapies. Many d,n reactions (e.g. using deuterium, tritium or beryllium targets) are very prolific at relatively low deuteron energies.

  14. Electromagnetic dissociation of relativistic [sup 28]Si by nucleon emission

    Energy Technology Data Exchange (ETDEWEB)

    Sonnadara, U.J.

    1992-12-01

    A detailed study of the electromagnetic dissociation of [sup 28]Si by nucleon emission at E[sub lab]/A = 14.6 (GeV/nucleon was carried out with [sup 28]Si beams interacting on [sup 208]Pb). [sup 120]Sn. [sup 64]C targets. The measurements apparatus consists of detectors in the target area which measure the energy and charged multiplicity, and a forward spectrometer which measures the position, momentum and energy of the reaction fragments. The exclusive electromagnetic dissociation cross sections for decay channels having multiple nucleons in the final state have been measured which enables the selection of events produced in pure electromagnetic interactions. The measured cross sections agree well with previous measurements obtained for the removal of a few nucleons as well as with measurements on total charge removal cross sections from other experiments. The dependence of the integrated cross sections on the target charge Z[sub T] and the target mass AT confirms that for higher Z targets the excitation is largely electromagnetic. Direct measurements of the excitation energy for the electromagnetic dissociation of [sup 28]Si [yields] p+[sup 27]Al and [sup 28]Si [yields] n+[sup 27]Si have been obtained through a calculation of the invariant mass in kinematically, reconstructed events. The excitation energy spectrum for all targets peak near the isovector giant dipole resonance in [sup 28]Si. These distributions are well reproduced by combining the photon spectrum calculated using the Weizsaecker-Williams approximation with the experimental data on the photonuclear [sup 28]Si([sub [gamma],p])[sup 27]Al and [sup 28]Si([sub [gamma],n])[sup 27]Si. The possibilities of observing double giant dipole resonance excitations in [sup 28]Si have been investigated with cross section measurements as well as with excitation energy reconstruction.

  15. Electromagnetic dissociation of relativistic {sup 28}Si by nucleon emission

    Energy Technology Data Exchange (ETDEWEB)

    Sonnadara, U.J.

    1992-12-01

    A detailed study of the electromagnetic dissociation of {sup 28}Si by nucleon emission at E{sub lab}/A = 14.6 (GeV/nucleon was carried out with {sup 28}Si beams interacting on {sup 208}Pb). {sup 120}Sn. {sup 64}C targets. The measurements apparatus consists of detectors in the target area which measure the energy and charged multiplicity, and a forward spectrometer which measures the position, momentum and energy of the reaction fragments. The exclusive electromagnetic dissociation cross sections for decay channels having multiple nucleons in the final state have been measured which enables the selection of events produced in pure electromagnetic interactions. The measured cross sections agree well with previous measurements obtained for the removal of a few nucleons as well as with measurements on total charge removal cross sections from other experiments. The dependence of the integrated cross sections on the target charge Z{sub T} and the target mass AT confirms that for higher Z targets the excitation is largely electromagnetic. Direct measurements of the excitation energy for the electromagnetic dissociation of {sup 28}Si {yields} p+{sup 27}Al and {sup 28}Si {yields} n+{sup 27}Si have been obtained through a calculation of the invariant mass in kinematically, reconstructed events. The excitation energy spectrum for all targets peak near the isovector giant dipole resonance in {sup 28}Si. These distributions are well reproduced by combining the photon spectrum calculated using the Weizsaecker-Williams approximation with the experimental data on the photonuclear {sup 28}Si({sub {gamma},p}){sup 27}Al and {sup 28}Si({sub {gamma},n}){sup 27}Si. The possibilities of observing double giant dipole resonance excitations in {sup 28}Si have been investigated with cross section measurements as well as with excitation energy reconstruction.

  16. CAPTURED End Evaluation Synthesis Report

    NARCIS (Netherlands)

    Brouwers, J.H.A.M.

    2012-01-01

    This report provides the findings of the Synthesis Study of the CAPTURED Evaluation and is produced as part of the overall CAPTURED End Evaluation. After five years of support by the CAPTURED project the three CAPTURED partners have achieved commendable results. Ten lessons learned are formulated th

  17. Spectroscopically resolved competition between dissociation and detachment from nitrobenzene radical anion

    NARCIS (Netherlands)

    Steill, J. D.; Oomens, J.

    2011-01-01

    We report the vibrational spectrum of the gas-phase isolated nitrobenzene radical anion. The spectrum has been acquired by infrared multiple-photon absorption induced dissociation and electron detachment using the FT mass spectrometer coupled to the infrared free-electron laser FELIX. Upon wavelengt

  18. Dissociation of CO induced by He2+ ions : II. Dissociation pathways and states

    NARCIS (Netherlands)

    Schlatholter, T; Hoekstra, R; Morgenstern, R

    1997-01-01

    The dissociation of COq+ ions (q less than or equal to 3) produced in collisions of 2-10 keV amu(-1) He2+ ions with CO has been studied by time-of-flight methods. From the time-of-flight spectra the energy released in the dissociation process is determined. Our results for the kinetic energy release

  19. Bioaccumulation of dissociating substances; Bioakkumulation dissoziierender Stoffe

    Energy Technology Data Exchange (ETDEWEB)

    Butte, W.; Plegge, V.; Schettgen, C.; Willenborg, R.; Zauke, G.P. [Oldenburg Univ. (Germany). Fachbereich Chemie; Kuhlmann, H. [Oldenburg Univ. (Germany). Fachbereich Chemie]|[Bundesforschungsanstalt fuer Fischerei, Ahrensburg (Germany). Inst. fuer Fischereioekologie

    2000-02-01

    Bioconcentration factors (BCF) are important parameters to assess the environmental fate of chemicals. In this report we describe the determination of BCF for Triclosan, a trichlorophenoxy phenol, for some dissociating herbicides like Dichlorprop, MCPA, Mecoprop, Triclopyr and Picloram as well as for selected pyrethroids like Cyfluthrin, Cypermethrin, Deltamethrin and Permethrin. It was shown that BCF and rate constants for the uptake of Triclosan are decreasing with an increasing pH of the test water. The BCF for the herbicides evaluated are all below 10, confirming data already reported for herbicides of similar structure. Thus, for these compounds there is no tendency to bioaccumulate. Furthermore, there was no correlation between BCF and n-octanol/water partition coefficients or dissociation constants. BCF of pyrethroids were between 860 and 2200. For the analysis of pyrenthroid metabolites a gas chromatographic method using daughter-ion mass spectrometry for detection was established. The detection limit of this method was 1 {mu}g/kg, but metabolites could not be detected in fish during the bioaccumulation experiments. The high toxicity of pyrethroids for fish was approved; LC50-values were between 1 and 5 {mu}g/l. To evaluate physiological effects in fish, produced by pyrethroids, EROD activities in preparations of trout liver were measured. No increase in activity could be detected, but there was a tendency to lower values. We think this to result from the high toxicity of pyrethroids that could have impaired this enzyme system. (orig.) [German] Biokonzentrationsfaktoren (BCF) sind wichtige Parameter, mit Hilfe derer das Umweltverhalten von Chemikalien abgeschaetzt werden kann. Im Rahmen dieses Forschungsvorhabens wurden BCF-Werte fuer Triclosan, ein Trichlorphenoxyphenol, fuer einige dissoziierende Herbizide: Dichlorprop, MCPA, Mecoprop, Triclopyr und Picloram sowie fuer ausgewaehlte Pyrethroide: Cyfluthrin, Cypermethrin, Deltamethrin und Permethrin

  20. Supernova electron capture rates

    CERN Document Server

    Martínez-Pinedo, G

    1999-01-01

    We have calculated the Gamow-Teller strength distributions for the ground states and low lying states of several nuclei that play an important role in the precollapse evolution of supernova. The calculations reproduce the experimental GT distributions nicely. The GT distribution are used to calculate electron capture rates for typical presupernova conditions. The computed rates are noticeably smaller than the presently adopted rates. The possible implications for the supernova evolution are discussed.

  1. Muon capture rates within the projected QRPA

    CERN Document Server

    Santos, Danilo Sande; Krmpotić, Francisco; Dimarco, Alejandro J

    2012-01-01

    The conservation of the number of particles within the QRPA plays an important role in the evaluation muon capture rates in all light nuclei with A \\precsim 30 . The violation of the CVC by the Coulomb field in this mass region is of minor importance, but this effect could be quite relevant for medium and heavy nuclei studied previously. The extreme sensitivity of the muon capture rates on the 'pp' coupling strength in nuclei with large neutron excess when described within the QRPA is pointed out. We reckon that the comparison between theory and data for the inclusive muon capture is not a fully satisfactory test on the nuclear model that is used. The exclusive muon transitions are much more robust for such a purpose.

  2. Dissociation in virtual reality: depersonalization and derealization

    Science.gov (United States)

    Garvey, Gregory P.

    2010-01-01

    This paper looks at virtual worlds such as Second Life7 (SL) as possible incubators of dissociation disorders as classified by the Diagnostic and Statistical Manual of Mental Disorders, 4th Edition3 (also known as the DSM-IV). Depersonalization is where "a person feels that he or she has changed in some way or is somehow unreal." Derealization when "the same beliefs are held about one's surroundings." Dissociative Identity Disorder (DID), previously known as multiple personality disorder fits users of Second Life who adopt "in-world" avatars and in effect, enact multiple distinct identities or personalities (known as alter egos or alters). Select questions from the Structured Clinical Interview for Depersonalization (SCI-DER)8 will be discussed as they might apply to the user's experience in Second Life. Finally I would like to consider the hypothesis that rather than a pathological disorder, dissociation is a normal response to the "artificial reality" of Second Life.

  3. Quarkonium suppression: Gluonic dissociation vs. colour screening

    Indian Academy of Sciences (India)

    Binoy Krishna Patra; Dinesh Kumar Srivastava

    2003-05-01

    We evaluate the suppression of / production in an equilibrating quark gluon plasma for two competing mechanisms: Debye screening of colour interaction and dissociation due to energetic gluons. Results are obtained for S + S and Au + Au collisions at RHIC and LHC energies. At RHIC energies the gluonic dissociation of the charmonium is found to be equally important for both the systems while the screening of the interaction plays a significant role only for the larger systems. At LHC energies the Debye mechanism is found to dominate both the systems. While considering the suppression of directly produced $\\Upsilon$ at LHC energies, we find that only the gluonic dissociation mechanism comes into play for the initial conditions taken from the self screened parton cascade model in these studies.

  4. Capturing the Future: Direct and Indirect Probes of Neutron Capture

    Energy Technology Data Exchange (ETDEWEB)

    Couture, Aaron Joseph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-08-31

    This report documents aspects of direct and indirect neutron capture. The importance of neutron capture rates and methods to determine them are presented. The following conclusions are drawn: direct neutron capture measurements remain a backbone of experimental study; work is being done to take increased advantage of indirect methods for neutron capture; both instrumentation and facilities are making new measurements possible; more work is needed on the nuclear theory side to understand what is needed furthest from stability.

  5. Modelling of tetrahydrofuran promoted gas hydrate systems for carbon dioxide capture processes

    DEFF Research Database (Denmark)

    Herslund, Peter Jørgensen; Thomsen, Kaj; Abildskov, Jens

    2014-01-01

    accurate descriptions of both fluid- and hydrate phase equilibria in the studied system and its subsystems. The developed model is applied to simulate two simplified, gas hydrate-based processes for post-combustion carbon dioxide capture from power station flue gases. The first process, an unpromoted...... hydrate process, operates isothermally at a temperature of 280. K. Applying three consecutive hydrate formation/dissociation stages (three-stage capture process), a carbon dioxide-rich product (97. mol%) is finally delivered at a temperature of 280. K and a pressure of 3.65. MPa. The minimum pressure...... requirement of the first stage is estimated to be 24.9. MPa, corresponding to the incipient hydrate dissociation pressure at 280. K for the considered flue gas. A second simulated carbon dioxide capture process uses tetrahydrofuran as a thermodynamic promoter to reduce the pressure requirements. By doing so...

  6. Technology Roadmap: Carbon Capture and Storage

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-08-01

    As long as fossil fuels and carbon-intensive industries play dominant roles in our economies, carbon capture and storage (CCS) will remain a critical greenhouse gas reduction solution. This CCS roadmap aims at assisting governments and industry in integrating CCS in their emissions reduction strategies and in creating the conditions for scaled-up deployment of all three components of the CCS chain: CO2 capture, transport and storage. To get us onto the right pathway, this roadmap highlights seven key actions needed in the next seven years to create a solid foundation for deployment of CCS starting by 2020. IEA analysis shows that CCS is an integral part of any lowest-cost mitigation scenario where long-term global average temperature increases are limited to significantly less than 4 °C, particularly for 2 °C scenarios (2DS). In the 2DS, CCS is widely deployed in both power generation and industrial applications. The total CO2 capture and storage rate must grow from the tens of megatonnes of CO2 captured in 2013 to thousands of megatonnes of CO2 in 2050 in order to address the emissions reduction challenge. A total cumulative mass of approximately 120 GtCO2 would need to be captured and stored between 2015 and 2050, across all regions of the globe.

  7. Phenol dissociation on pristine and defective graphene

    Science.gov (United States)

    Widjaja, Hantarto; Oluwoye, Ibukun; Altarawneh, Mohammednoor; Hamra, A. A. B.; Lim, H. N.; Huang, N. M.; Yin, Chun-Yang; Jiang, Zhong-Tao

    2017-03-01

    Phenol (C6H5O‒H) dissociation on both pristine and defective graphene sheets in terms of associated enthalpic requirements of the reaction channels was investigated. Here, we considered three common types of defective graphene, namely, Stone-Wales, monovacancy and divacancy configurations. Theoretical results demonstrate that, graphene with monovacancy creates C atoms with dangling bond (unpaired valence electron), which remains particularly useful for spontaneous dissociation of phenol into phenoxy (C6H5O) and hydrogen (H) atom. The reactions studied herein appear barrierless with reaction exothermicity as high as 2.2 eV. Our study offers fundamental insights into another potential application of defective graphene sheets.

  8. Dissociative identity disorder: a literature review.

    Science.gov (United States)

    McAllister, M M

    2000-01-01

    This paper presents a review of the literature into dissociative identity disorder. This disorder, previously known as multiple personality disorder, is increasingly diagnosed, in part because of more focused diagnostic tools, but also because people are accessing services to assist with the longterm problems of early child abuse and neglect. Dissociative identity disorder is examined in the literature according to a variety of discourses, each of which suggest different ways of conceptualizing problems and therapeutic approaches. These discourses reviewed include: psychiatry, psychology, corporeality, feminism, social constructivism, anthropology, and postmodernism. The paper concludes with an examination of the nursing literature and suggests opportunities for nursing research into this complex mental health problem.

  9. A Redetermination of the Dissociation Energy of MgO(+)

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Partridge, Harry

    1994-01-01

    In 1986, we reported a dissociation energy (D(sub 0) of 2.31 eV for the X(sup 2)Pi ground state of MgO(+). This value was determined by computing the dissociation energy to the Mg(2+) + O(-) limit and adjusting the value to the Mg(+) + O limit using the experimental Ionization Potential (IP) of Mg(+) and the Electron Affinity (EA) of O. The success of this method relies on the assumption that there is little covalent contribution to the bonding. The very small (0.04 eV) correlation contribution to the binding energy was taken as corroboration for the validity of this approach. Our earlier theoretical value was estimated to be accurate to at least 0.2 eV. It is in excellent agreement with the subsequent value of 2.30 +/- 0.13 eV determined by Freiser and co-workers from photodissociation experiments. It is also consistent with the upper (less than 3.1 eV) and lower (greater than 1.1 eV) bounds determined by Rowe obtained by studying the reactions of Mg(+) with 03 and NO2. However, it is inconsistent with an upper bound of 1.7 eV reported by Kappes and Staley based on their failure to observe MgO(+) in the reaction of Mg(+) with N2O. The picture became somewhat clouded, however, by the recent guided-ion beam mass spectrometric studies of Dalleska and Armentrout. Their initial analysis of the reaction data for Mg(+) + O2 lead to a bond dissociation energy of 2.92 +/- 0.25 eV, which is considerably larger than the value of 2.47 +/- 0.06 eV deduced from their studies of the Mg(+)+NO2 reaction.

  10. The dissociation pathways of N+2 in intense femtosecond laser fields

    Institute of Scientific and Technical Information of China (English)

    Chen De-Ying; Zhang Sheng; Xia Yuan-Qin

    2009-01-01

    Using a neutral N2 beam as target,this paper studies the dissociation of N+2 in intense femtosecond laser fields (45 fs,~1×1016 W/cm2)at the laser wavelength of 800 nm based on the time-of-flight mass spectra of N+fragment ions.The angular distributions of N+ and the laser power dependence of N+ yielded from different dissociation pathways show that the dissociation mechanisms mainly proceed through the couplings between the metastable states(A,B and C) and the upper excited states of N+2.A coupling model of light-dressed potential energy curves of N+2 is used to interpret the kinetic energy release of N+.

  11. Lunar Sulfur Capture System Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The Lunar Sulfur Capture System (LSCS) is an innovative method to capture greater than 90 percent of sulfur gases evolved during thermal treatment of lunar soils....

  12. Capturing Near Earth Objects

    OpenAIRE

    Baoyin, Hexi; CHEN Yang; Li, Junfeng

    2011-01-01

    Recently, Near Earth Objects (NEOs) have been attracting great attention, and thousands of NEOs have been found to date. This paper examines the NEOs' orbital dynamics using the framework of an accurate solar system model and a Sun-Earth-NEO three-body system when the NEOs are close to Earth to search for NEOs with low-energy orbits. It is possible for such an NEO to be temporarily captured by Earth; its orbit would thereby be changed and it would become an Earth-orbiting object after a small...

  13. New aspects of the neutron capture in light nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Mengoni, A. [Institute of Physical and Chemical Research, Wako, Saitama (Japan)

    1997-03-01

    Several neutron capture cross sections of light nuclei (A {<=} 40) for neutron energies up to the MeV region have been recently calculated. Examples are (target nuclei): {sup 12}C, {sup 13}C, {sup 16}O and {sup 10}Be. The results of these calculations will be shown together with a comparison with the most recent experimental data. In the case of n + {sup 10}Be case, the cross section of the inverse process (Coulomb dissociation of {sup 11}Be) is considered and compared with the measurement. A discussion on the relevant nuclear structure information required for the evaluation of nuclear data of light nuclei is given. (author)

  14. Leading particles and diffraction dissociation in 150-GeV/c. pi. /sup -/p interactions

    Energy Technology Data Exchange (ETDEWEB)

    Brick, D.; Fong, D.; Heller, M.; Shapiro, A.M.; Widgoff, M.; Bruyant, F.; Lucas, P.; Bogert, D.; Johnson, M.; Burnstein, R.; Fu, C.; Petersen, D.; Robertson, D.; Rubin, C.; Sard, R.; Snyder, A.; Tortora, J.; Alyea, E.D. Jr.; Chien, C.; Pevsner, A.; Zdanis, R.; Barriero, F.; Benary, O.; Brau, J.F.; Grunhaus, J.; Hafen, A.S.; Hulsizer, R.I.; Karshon, U.; Kistiakowsky, V.; Levy, A.; Napier, A.; Pless, I.A.; Silvermann, J.P.; Trepagnier, P.C.; Wolfson, J.; Yamamoto, R.K.; Cohn, H.O.; Jacques, P.F.; Ou, T.C.; Plano, R.J.; Watts, T.L.; Brucker, E.; Koller, E.L.; Stamer, P.E.; Taylor, S.; Bugg, W.; Condo, G.; Handler, T.; Hart, E.; Kraybill, H.; Ljung, D.; Ludlam, I.; Taft, C.D.

    1980-04-01

    Diffraction dissociation of both the beam and target particles has been observed in 150-GeV/c ..pi../sup -/p interactions in the Fermilab 30-in.-bubble-chamber--proportional-wire-chamber hybrid spectrometer. The dissociations are observed as recoil systems opposite leading particles, the signals of which are separated from background where appropriate by a variant of the Van Hove sector cut, thus allowing the high-mass portion of the spectrum to be observed. Pion dissociation has a cross section of 1758 +- 105 ..mu..b, divided among two-, four-, and six-prong events; some rho/sup 0/ production is seen and comes primarily from the ..pi../sup -/ ..-->.. 2..pi../sup -/..pi../sup +/ channel. The proton dissociation cross section is 1726 +- 100 ..mu..b, again divided among two-, four-, and six-prong events. The final state contains a neutron more frequently than a proton in the two- and six-prong events, a proton more frequently in the four-prong events. Production of ..delta../sup + +/ is observed in the p ..-->.. p..pi../sup +/..pi../sup -/ dissociations.

  15. N+ charge transfer and N+2 dissociation in N2 at swarm energies.

    Science.gov (United States)

    Basurto, E; de Urquijo, J; Cisneros, C; Alvarez, I

    2001-01-01

    This paper reports a drift-tube-mass-spectrometer measurement of the relative abundances of N+ and N+2 in pure nitrogen, over a ratio of electric field to gas density, E/N, from 800 to 7200 Td [1 townsend (Td)=10(-17) V cm(2)]. A proposed charge transfer dissociation scheme between the above two ions and N2 allowed us to obtain spatial rate coefficients for charge transfer and dissociation over the E/N range 800-2800 Td. Using previously measured cross sections for the above processes, and assuming a Maxwellian distribution of ion velocities, we calculated the reaction coefficients, which were found to be in good agreement with our measured values. In particular, the present results support the trend toward fairly high charge transfer cross section values for N+ energies above 10 eV. In the overlap range between 2.4 and 7.2 kTd, our concentration ratio [N(+)/N(+)(2)] is about five times smaller than that measured previously from a diffuse Townsend discharge in which electron impact is involved in addition to N+2 collisional dissociation with N2, but has the same trend. Thus it seems that, besides N+2 dissociation by electron impact, collisional dissociation becomes important at elevated values of E/N. In connection with previous discharge work in nitrogen, the present study may help explain the enhanced cathode yields observed.

  16. Capture of terrestrial-sized moons by gas giant planets.

    Science.gov (United States)

    Williams, Darren M

    2013-04-01

    Terrestrial moons with masses >0.1 M (symbol in text) possibly exist around extrasolar giant planets, and here we consider the energetics of how they might form. Binary-exchange capture can occur if a binary-terrestrial object (BTO) is tidally disrupted during a close encounter with a giant planet and one of the binary members is ejected while the other remains as a moon. Tidal disruption occurs readily in the deep gravity wells of giant planets; however, the large encounter velocities in the wells make binary exchange more difficult than for planets of lesser mass. In addition, successful capture favors massive binaries with large rotational velocities and small component mass ratios. Also, since the interaction tends to leave the captured moons on highly elliptical orbits, permanent capture is only possible around planets with sizable Hill spheres that are well separated from their host stars.

  17. Carbon monoxide dissociative attachment and resonant dissociation by electron-impact

    Science.gov (United States)

    Laporta, V.; Tennyson, J.; Celiberto, R.

    2016-02-01

    Low-energy dissociative electron attachment and resonant electron impact dissociation of CO molecule are considered. Ro-vibrationally resolved cross sections and rate coefficients for both the processes are calculated using an ab-initio model based on the low-lying \\text{X}{{}2}\\Pi resonance of CO-. Final results show that the cross sections increases very rapidly as a function of the ro-vibrational level; these cross sections should be useful for understanding kinetic dissociation of CO in strongly non-equilibrium plasmas.

  18. Low-Mass Diffraction at the LHC

    CERN Document Server

    Jenkovszky, Laszlo; Lämsä, Jerry; Orava, Risto

    2011-01-01

    The expected resonance structure for the low-mass single diffractive states from a Regge-dual model elaborated paper by the present authors in a previous is predicted. Estimates for the observable low-mass single diffraction dissociation (SDD) cross sections and efficiencies for single diffractive events simulated by PYTHIA 6.2 as a function of the diffractive mass are given.

  19. Atmospheric pressure thermal dissociation of phospho- and sulfopeptides.

    Science.gov (United States)

    Eberlin, Lívia S; Xia, Yu; Chen, Hao; Cooks, R Graham

    2008-12-01

    Several phospho- and sulfopeptides were subjected to atmospheric pressure thermal dissociation (APTD), which was effected by passing peptide ions generated by electrosonic spray ionization (ESSI) through a heated coiled metal tube. Sequence informative fragment ions including a-, b-, c-, and y-types of ions were observed with increased relative intensities under APTD compared with collision-induced dissociation (CID), performed inside the ion trap. A certain degree of preservation of phosphate and sulfate ester moieties was observed for some fragments ions under APTD. The neutral fragments generated outside the mass spectrometer were further analyzed via on-line corona discharge to provide rich and complementary sequence information to that provided by the fragment ions directly obtained from APTD, although complete losses of the modification groups were noted. Improved primary sequence information for phospho- and sulfopeptides was typically obtained by analyzing both ionic and neutral fragments from APTD compared with fragment ions from CID alone. Localization of the modification sites of phospho- and sulfopeptides was achieved by combining the structural information acquired from APTD and CID.

  20. From dissociated hegemony towards embedded hegemony

    NARCIS (Netherlands)

    Gaay Fortman, B. de; Dhanrajgir, Nikhil

    2005-01-01

    An earlier paper by the second author, entitled ‘Bella Americana: Some Consequences for the International Community’ [1], dealt with the background and consequences of the American dissociation from the international legal and political order created after World War II. The current article examines

  1. Visuomotor Dissociation in Cerebral Scaling of Size

    NARCIS (Netherlands)

    Potgieser, Adriaan R. E.; de Jong, Bauke M.

    2016-01-01

    Estimating size and distance is crucial in effective visuomotor control. The concept of an internal coordinate system implies that visual and motor size parameters are scaled onto a common template. To dissociate perceptual and motor components in such scaling, we performed an fMRI experiment in whi

  2. Dissociation coloured quarks and inclusive scattering

    CERN Document Server

    Bartelski, J

    1974-01-01

    A simple parton model of the nucleon built up of three-triplet quarks dissociated into the Gell-Mann-Zweig quarks and 'coloured' gluons is considered. It is shown that the model is consistent with SLAC-MIT and CERN data for inclusive scattering. (21 refs).

  3. Subliminal processes, dissociation and the 'I'.

    Science.gov (United States)

    Bob, Petr

    2003-06-01

    The study of unconscious processes leads to the hypothesis of the limit of consciousness, which involves two main kinds of psychic activity. The first represents psychic contents which are subliminal for their low energy, the second subliminal contents which are inaccessible to consciousness because they are dissociated in the subliminal region. Dissociation is a concept introduced by Pierre Janet for splitting consciousness due to traumatic events or during hypnosis. It takes a more general form in Hilgard's neo-dissociation theory of hypnotic phenomena and also in Jung's theory of the collective unconscious. Further generalization links it to the modern findings of explicit and implicit perception, leading to a shift in dissociation from hypothesis to clinical, experimental and theoretical reality. Studies in hypnosis also point to the existence of an integrative psychic entity, that comprises the conscious 'I'. Hilgard called this the hidden observer, and his findings represent empirical confirmation of Jung's term for the Self as mirror 'I', which leads to many important consequences for self-discovery and the meaning of life.

  4. Ultraviolet irradiation-induced substitution of fluorine with hydroxyl radical for mass spectrometric analysis of perfluorooctane sulfonyl fluoride

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Peng; Tang, Xuemei; Huang, Lulu; Kang, Jie; Zhong, Hongying, E-mail: hyzhong@mail.ccnu.edu.cn

    2016-01-28

    A rapid and solvent free substitution reaction of a fluorine atom in perfluorooctane sulfonyl fluoride (PFOSF) with a hydroxyl radical is reported. Under irradiation of ultraviolet laser on semiconductor nanoparticles or metal surfaces, hydroxyl radicals can be generated through hole oxidization. Among all fluorine atoms of PFOSF, highly active hydroxyl radicals specifically substitute the fluorine of sulfonyl fluoride functional group. Resultant perfluorooctane sulfonic acid is further ionized through capture of photo-generated electrons that switch the neutral molecules to negatively charged odd electron hypervalent ions. The unpaired electron subsequently initiates α O–H bond cleavage and produces perfluorooctane sulfonate negative ions. Hydroxyl radical substitution and molecular dissociation of PFOSF have been confirmed by masses with high accuracy and resolution. It has been applied to direct mass spectrometric imaging of PFOSF adsorbed on surfaces of plant leaves. - Highlights: • Ultraviolet irradiation on semiconductor nanoparticles produces electron–hole pairs. • Hole oxidization results in the formation of hydroxyl radicals. • Fluorine atoms of PFOSF can be specifically substituted with hydroxyl radicals. • Capture of photoelectrons causes dissociation and fragmentation. • Fragments are detected in negative ion mode.

  5. Use of an intense microwave laser to dissociate a diatomic molecule: Theoretical prediction of dissociation dynamics

    Indian Academy of Sciences (India)

    Amita Wadehra; B M Deb

    2012-01-01

    By employing an intense microwave laser of wavelength 116.65 m with intensities 1 × 1013 and 5 × 1018Wcm−2, respectively, the conclusion is reached theoretically and computationally that it is possible to dissociate the CO molecule, modelled as a Morse oscillator. It is predicted that for above-threshold dissociation (ATD), the molecule should absorb 1044 photons of the given wavelength in order to reach the lowest edge of the vibrational continuum. A consistent analysis of the predicted dissociation process is provided though the time-dependent probability density, dissociation probability, norm, potential function, HHG and ATD spectra, obtained by numerically solving the time-dependent vibrational Schödinger equation.

  6. Dissociative scattering of hyperthermal energy CF3+ ions from modified surfaces.

    Science.gov (United States)

    Rezayat, Talayeh; Shukla, Anil

    2007-02-28

    Dissociative scattering of CF3+ ions in collision with a self-assembled monolayer surface of fluorinated alkyl thiol on a gold 111 crystal has been studied at low ion kinetic energies (from 29 to 159 eV) using a custom built tandem mass spectrometer with a rotatable second stage energy analyzer and mass spectrometer detectors. Energy and intensity distributions of the scattered fragment ions were measured as a function of the fragment ion mass and scattering angle. Inelastically scattered CF3+ ions were not observed even at the lowest energy studied here. All fragment ions, CF2+, CF+, F+, and C+, were observed at all energies studied with the relative intensity of the highest energy pathway, C+, increasing and that of the lowest energy pathway, CF2+, decreasing with collision energy. Also, the dissociation efficiency of CF3+ decreased significantly as the collision energy was increased to 159 eV. Energy distributions of all fragment ions from the alkyl thiol surface showed two distinct components, one corresponding to the loss of nearly all of the kinetic energy and scattered over a broad angular range while the other corresponding to smaller kinetic energy losses and scattered closer to the surface parallel. The latter process is due to delayed dissociation of collisionally excited ions after they have passed the collision region as excited parent ions. A similar study performed at 74 eV using a LiF coated surface on a titanium substrate resulted only in one process for all fragment ions; corresponding to the delayed dissociation process. The intensity maxima for these fragmentation processes were shifted farther away from the surface parallel compared to the thiol surface. A new mechanism is proposed for the delayed dissociation process as proceeding via projectile ions' neutralization to long-lived highly excited Rydberg state(s), reionization by the potential field between the collision region and entrance to the energy analyzer, and subsequent dissociation

  7. Psychobiological characteristics of dissociative identity disorder : A symptom provocation study

    NARCIS (Netherlands)

    Reinders, A. A. T. Simone; Nijenhuis, Ellert R. S.; Quak, Jacqueline; Korf, Jakob; Haaksma, Jaap; Paans, Anne M. J.; Willemsen, Antoon T. M.; den Boer, Johan A.

    2006-01-01

    Background: Dissociative identity disorder (DID) patients function as two or more identities or dissociative identity states (DIS), categorized as 'neutral identity states' (NIS) and 'traumatic identity states' (TIS). NIS inhibit access to traumatic memories thereby enabling daily life functioning.

  8. Yukawa-dissociation and the deuteron binding energy

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, T.

    1997-05-01

    It is shown that energy must be conserved by the dissociation of an elementary particle. The energy deficit by a dissociation behaves as a basic concept. The binding energy of the deuteron is reproduced. 4 refs.

  9. Thermal dissociation behavior and dissociation enthalpies of methane-carbon dioxide mixed hydrates

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, T.H.; Kneafsey, T.J.; Rees, E.V.L.

    2011-02-15

    Replacement of methane with carbon dioxide in hydrate has been proposed as a strategy for geologic sequestration of carbon dioxide (CO{sub 2}) and/or production of methane (CH{sub 4}) from natural hydrate deposits. This replacement strategy requires a better understanding of the thermodynamic characteristics of binary mixtures of CH{sub 4} and CO{sub 2} hydrate (CH{sub 4}-CO{sub 2} mixed hydrates), as well as thermophysical property changes during gas exchange. This study explores the thermal dissociation behavior and dissociation enthalpies of CH{sub 4}-CO{sub 2} mixed hydrates. We prepared CH{sub 4}-CO{sub 2} mixed hydrate samples from two different, well-defined gas mixtures. During thermal dissociation of a CH{sub 4}-CO{sub 2} mixed hydrate sample, gas samples from the head space were periodically collected and analyzed using gas chromatography. The changes in CH{sub 4}-CO{sub 2} compositions in both the vapor phase and hydrate phase during dissociation were estimated based on the gas chromatography measurements. It was found that the CO{sub 2} concentration in the vapor phase became richer during dissociation because the initial hydrate composition contained relatively more CO{sub 2} than the vapor phase. The composition change in the vapor phase during hydrate dissociation affected the dissociation pressure and temperature; the richer CO{sub 2} in the vapor phase led to a lower dissociation pressure. Furthermore, the increase in CO{sub 2} concentration in the vapor phase enriched the hydrate in CO{sub 2}. The dissociation enthalpy of the CH{sub 4}-CO{sub 2} mixed hydrate was computed by fitting the Clausius-Clapeyron equation to the pressure-temperature (PT) trace of a dissociation test. It was observed that the dissociation enthalpy of the CH{sub 4}-CO{sub 2} mixed hydrate lays between the limiting values of pure CH{sub 4} hydrate and CO{sub 2} hydrate, increasing with the CO{sub 2} fraction in the hydrate phase.

  10. Capture of compact objects by supermassive black holes

    Energy Technology Data Exchange (ETDEWEB)

    Filloux, Charline [Dpt. CASSIOPEE, Observatoire de la Cote d' Azur, BP 429 06304 Nice (France); Pacheco, Jose A de Freitas [Dpt. CASSIOPEE, Observatoire de la Cote d' Azur, BP 429 06304 Nice (France); Regimbau, Tania [Dpt. ARTEMIS, Observatoire de la Cote d' Azur, BP 429 06304 Nice (France)

    2007-05-15

    Capture rates of compact objects were calculated using a recent solution of the Fokker-Planck equation in energy-space, including two-body resonant effects. The present study indicates that capture rates scale as {proportional_to} M{sub bh}{sup -1.048} consequence of the fact that dwarf galaxies have central regions denser than luminous objects. If the mass distribution of supermassive black holes has a lower cutoff at {approx}1.4 x 10{sup 6} M{sub o-dot} (corresponding to the lowest supermassive black hole mass), then 9 inspiral events are expected to be seen by LISA (7-8 corresponding to white dwarf captures and 1-2 to neutron star or stellar black hole captures) after 1 yr of operation. However, if the mass distribution extends down to {approx}2 x 10{sup 5}M{sub o-dot}, then the number of expected events increases up to 579 (corresponding to {approx}274 stellar black hole captures, {approx}194 neutron star captures and {approx}111 white dwarf captures)

  11. Robust automated knowledge capture.

    Energy Technology Data Exchange (ETDEWEB)

    Stevens-Adams, Susan Marie; Abbott, Robert G.; Forsythe, James Chris; Trumbo, Michael Christopher Stefan; Haass, Michael Joseph; Hendrickson, Stacey M. Langfitt

    2011-10-01

    This report summarizes research conducted through the Sandia National Laboratories Robust Automated Knowledge Capture Laboratory Directed Research and Development project. The objective of this project was to advance scientific understanding of the influence of individual cognitive attributes on decision making. The project has developed a quantitative model known as RumRunner that has proven effective in predicting the propensity of an individual to shift strategies on the basis of task and experience related parameters. Three separate studies are described which have validated the basic RumRunner model. This work provides a basis for better understanding human decision making in high consequent national security applications, and in particular, the individual characteristics that underlie adaptive thinking.

  12. Capturing the uncultivated majority

    Energy Technology Data Exchange (ETDEWEB)

    Green, Brian D.; Keller, Martin

    2007-04-02

    The metagenomic analysis of environmental microbialcommunities continues to be a rapidly developing area of study. DNAisolation, the first step in capturing the uncultivated majority, hasseen many advances in recent years. Protocols have been developed todistinguish DNA from live versus dead cells and to separate extracellularfrom intracellular DNA. Looking to increase our understanding of the rolethat members of a microbial community play in ecological processes,several techniques have been developed that are enabling greater indepthanalysis of environmental metagenomes. These include the development ofenvironmental gene tags and the serial analysis of 16S rRNA gene sequencetags. In addition, new screening methods have been designed to select forspecific functional genes within metagenomic libraries. Finally, newcultivation methods continue to be developed to improve our ability tocapture a greater diversity of microorganisms within theenvironment.

  13. Capturing the Daylight Dividend

    Energy Technology Data Exchange (ETDEWEB)

    Peter Boyce; Claudia Hunter; Owen Howlett

    2006-04-30

    Capturing the Daylight Dividend conducted activities to build market demand for daylight as a means of improving indoor environmental quality, overcoming technological barriers to effective daylighting, and informing and assisting state and regional market transformation and resource acquisition program implementation efforts. The program clarified the benefits of daylight by examining whole building systems energy interactions between windows, lighting, heating, and air conditioning in daylit buildings, and daylighting's effect on the human circadian system and productivity. The project undertook work to advance photosensors, dimming systems, and ballasts, and provided technical training in specifying and operating daylighting controls in buildings. Future daylighting work is recommended in metric development, technology development, testing, training, education, and outreach.

  14. Dissociation kinetics of the thyrotropin-receptor complex. Characterization of a slowly dissociable component.

    Science.gov (United States)

    Powell-Jones, C H; Saltiel, A R; Thomas, C G; Nayfeh, S N

    1981-11-01

    The kinetics of the dissociation of thyrotropin (TSH) from human thyroid plasma membranes were studied in an attempt to further understand the molecular dynamics of the TSH--receptor interaction. Dissociation of bound [125I]TSH from thyroid plasma membranes was a biphasic process consisting of rapidly and slowly dissociable components, RDC and SDC, respectively. The dilution induced dissociation of bound [125I]TSH was enhanced by the addition of excess TSH (DEC). DEC was proportional to the dose of unlabeled TSH and its magnitude increased linearly with temperature. These results are in contrast to those reported for the kinetics of [125I]insulin dissociation. The functional significance of DEC remains largely unexplained. It was found that the fraction of SDC was dependent upon time of association in a temperature-dependent and apparently saturable process. It could not be attributed to alterations in the electrophoretic, immunologic or binding properties of [125I]TSH. Furthermore, no correlation was observed between generation of SDC and change in the Scatchard profile of TSH binding, in contrast to studies on growth hormone. These data suggest that, like some other polypeptide hormones, binding of TSH to its receptor does not proceed according to laws describing simple, rapidly reversible, bimolecular reactions. Furthermore, bound TSH undergoes a receptor-mediated conversion from a rapidly to a slowly dissociable state with time of incubation.

  15. A shock tube laser schlieren study of methyl acetate dissociation in the fall-off regime.

    Science.gov (United States)

    Annesley, Christopher J; Franklin Goldsmith, C; Tranter, Robert S

    2014-04-28

    The pyrolysis of methyl acetate, 2% and 4% dilute in krypton, was investigated in a diaphragmless shock tube (DFST) using laser schlieren densitometry (LS). Experiments were performed at 122 ± 3 and 63 ± 2 Torr over the temperature range of 1492-2266 K. Master equation models for the four main dissociation paths of methyl acetate based on a prior study by Peukert et al. [S. Peukert, R. Sivaramakrishnan, M. Su and J. Michael, Combust. Flame, 2012, 159, 2312-2323] were refined and formed the basis for simulating the LS experiments. The density gradient profiles from the LS experiments indicate that the initial dissociation proceeds predominantly by breakage of the C-O bond leading ultimately to two methyl radicals and CO2, accounting for 83-88% of the methyl acetate loss over this temperature range. Rate coefficients for dissociation of methyl acetate were satisfactorily simulated with a master equation model, with modelled rate coefficients of k120 Torr = 9.06 × 10(81) × T(-19.07) × exp(-61 600K/T) s(-1), k60 Torr = 3.71 × 10(82) × T(-19.34) × exp(-61 200K/T) s(-1), and of k∞ = 1.97 × 10(30) × T(-3.80) × exp(-47 900K/T) s(-1) for the major channel, based on fitting to 120 Torr and 60 Torr data taken in this study. The model also captures the pressure dependency of methyl acetate dissociation and resolves an earlier discrepancy concerning the mechanism of dissociation of methyl acetate.

  16. Single and double diffraction dissociation at the LHC

    Science.gov (United States)

    Fiore, Roberto; Jenkovszky, László; Mieskolainen, Mikael; Orava, Risto

    2017-03-01

    Single and double diffraction dissociation at the LHC is studied in a factorizable Regge-pole model, dominated by a Pomeron pole exchange in the t channel. While the contribution from secondary reggeon exchanges at the LHC is negligible, they are indispensable to match the lower-energy, ISR and FNAL data. To this end we append to the leading Pomeron exchange an effective reggeon. The main emphasis in our study is on the nucleon resonances in missing masses, that are accounted for by a dual model of the inelastic pP → MX vertex, similar to the DIS structure function, known from HERA, with a non-linear nucleon, N∗ trajectory in the direct, MX2 channel. Regge factorization and its breakdown due to a renormalization factor, tempering the energy rise is discussed.

  17. Cognitive Processes in Dissociation: Comment on Giesbrecht et al. (2008)

    Science.gov (United States)

    Bremner, J. Douglas

    2010-01-01

    In their recent review "Cognitive Processes in Dissociation: An Analysis of Core Theoretical Assumptions," published in "Psychological Bulletin", Giesbrecht, Lynn, Lilienfeld, and Merckelbach (2008) have challenged the widely accepted trauma theory of dissociation, which holds that dissociative symptoms are caused by traumatic stress. In doing so,…

  18. Development, Reliability, and Validity of a Child Dissociation Scale.

    Science.gov (United States)

    Putnam, Frank W.; And Others

    1993-01-01

    Evaluation of the Child Dissociative Checklist found it to be a reliable and valid observer report measure of dissociation in children, including sexually abused girls and children with dissociative disorder and with multiple personality disorder. The checklist, which is appended, is intended as a clinical screening instrument and research measure…

  19. Influence of wetting layer wave functions on carrier capture in quantum dots

    DEFF Research Database (Denmark)

    Kristensen, Philip Trøst; Markussen, Troels; Tromborg, Bjarne

    2005-01-01

    This work numerically solves the effective mass Schrodinger equation and shows that the capture times are strongly influenced by details of the continuum states not accounted for by the approximate wave functions. Results show that calculations of capture time for phonon mediated carrier capture...

  20. Rate coefficients for dissociative attachment and resonant electron-impact dissociation involving vibrationally excited O{sub 2} molecules

    Energy Technology Data Exchange (ETDEWEB)

    Laporta, V. [Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari, Italy and Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom); Celiberto, R. [Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica, Politecnico di Bari, Italy and Istituto di Metodologie Inorganiche e dei Plasmi, CNR, Bari (Italy); Tennyson, J. [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

    2014-12-09

    Rate coefficients for dissociative electron attachment and electron-impact dissociation processes, involving vibrationally excited molecular oxygen, are presented. Analytical fits of the calculated numerical data, useful in the applications, are also provided.

  1. Observation of the longitudinal event structure in proton diffractive dissociation at the ISR

    Energy Technology Data Exchange (ETDEWEB)

    Smith, A.M.; Meritet, L.; Reyrolle, M.; Vazeille, F.; Bonino, R.; Castellina, A.; Erhan, S.; Ingelman, G.; Medinnis, M.; Schlein, P.E.

    1986-02-06

    We study the internal structure of a forward-going p..pi../sup +/..pi../sup -/..pi../sup +/..pi../sup -/ system, with invariant mass in the range 2.5-4 GeV, produced through diffractive dissociation of a beam proton at the ISR. The shape of the system, as seen in its center-of-mass, deviates strongly from isotropic phase space and possesses, rather, a longitudinal structure with a major axis along the incoming proton direction. The final state proton momentum is aligned in the direction of the incoming proton, an effect which becomes more pronounced with increasing diffractive mass. (orig.).

  2. Use of Computed X-ray Tomographic Data for Analyzing the Thermodynamics of a Dissociating Porous Sand/Hydrate Mixture

    Science.gov (United States)

    Freifeld, Barry M.; Kneafsey, Timothy J.; Tomutsa, Liviu; Stern, Laura A.; Kirby, Stephen H.

    2002-02-28

    X-ray computed tomography (CT) is a method that has been used extensively in laboratory experiments for measuring rock properties and fluid transport behavior. More recently, CT scanning has been applied successfully to detect the presence and study the behavior of naturally occurring hydrates. In this study, we used a modified medical CT scanner to image and analyze the progression of a dissociation front in a synthetic methane hydrate/sand mixture. The sample was initially scanned under conditions at which the hydrate is stable (atmospheric pressure and liquid nitrogen temperature, 77 K). The end of the sample holder was then exposed to the ambient air, and the core was continuously scanned as dissociation occurred in response to the rising temperature. CT imaging captured the advancing dissociation front clearly and accurately. The evolved gas volume was monitored as a function of time. Measured by CT, the advancing hydrate dissociation front was modeled as a thermal conduction problem explicitly incorporating the enthalpy of dissociation, using the Stefan moving-boundary-value approach. The assumptions needed to perform the analysis consisted of temperatures at the model boundaries. The estimated value for thermal conductivity of 2.6 W/m K for the remaining water ice/sand mixture is higher than expected based on conduction alone; this high value may represent a lumped parameter that incorporates the processes of heat conduction, methane gas convection, and any kinetic effects that occur during dissociation. The technique presented here has broad implications for future laboratory and field testing that incorporates geophysical techniques to monitor gas hydrate dissociation.

  3. Dissociative Part-Dependent Resting-State Activity in Dissociative Identity Disorder : A Controlled fMRI Perfusion Study

    NARCIS (Netherlands)

    Schlumpf, Yolanda R.; Reinders, Antje A. T. S.; Nijenhuis, Ellert R. S.; Luechinger, Roger; van Osch, Matthias J. P.; Jaencke, Lutz

    2014-01-01

    Background: In accordance with the Theory of Structural Dissociation of the Personality (TSDP), studies of dissociative identity disorder (DID) have documented that two prototypical dissociative subsystems of the personality, the "Emotional Part'' (EP) and the "Apparently Normal Part'' (ANP), have d

  4. Structure and Decay at Rapid Proton Capture Waiting Points

    Science.gov (United States)

    Hove, D.; Garrido, E.; Jensen, A. S.; Fynbo, H. O. U.; Fedorov, D. V.; Zinner, N. T.

    2017-01-01

    We investigate the region of the nuclear chart around A ˜eq 70 from a three-body perspective, where we compute reaction rates for the radiative capture of two protons. One key quantity is here the photon dissociation cross section for the inverse process where two protons are liberated from the borromean nucleus by photon bombardment. We find a number of peaks at low photon energy in this cross section where each peak is located at the energy corresponding to population of a three-body resonance. Thus, for these energies the decay or capture processes proceed through these resonances. However, the next step in the dissociation process still has the option of following several paths, that is either sequential decay by emission of one proton at a time with an intermediate two-body resonance as stepping stone, or direct decay into the continuum of both protons simultaneously. The astrophysical reaction rate is obtained by folding of the cross section as function of energy with the occupation probability for a Maxwell-Boltzmann temperature distribution. The reaction rate is then a function of temperature, and of course depending on the underlying three-body bound state and resonance structures. We show that a very simple formula at low temperature reproduces the elaborate numerically computed reaction rate.

  5. Trojan capture by terrestrial planets

    CERN Document Server

    Schwarz, Richard

    2016-01-01

    The paper is devoted to investigate the capture of asteroids by Venus, Earth and Mars into the 1:1 mean motion resonance especially into Trojan orbits. Current theoretical studies predict that Trojan asteroids are a frequent by-product of the planet formation. This is not only the case for the outer giant planets, but also for the terrestrial planets in the inner Solar System. By using numerical integrations, we investigated the capture efficiency and the stability of the captured objects. We found out that the capture efficiency is larger for the planets in the inner Solar System compared to the outer ones, but most of the captured Trojan asteroids are not long term stable. This temporary captures caused by chaotic behaviour of the objects were investigated without any dissipative forces. They show an interesting dynamical behaviour of mixing like jumping from one Lagrange point to the other one.

  6. The charmonium dissociation in an "anomalous wind"

    CERN Document Server

    Sadofyev, Andrey V

    2016-01-01

    We study the charmonium dissociation in a strongly coupled chiral plasma in the presence of magnetic field and axial charge imbalance. This type of plasma carries ``anomalous flow" induced by the chiral anomaly and exhibits novel transport phenomena such as chiral magnetic effect. We found that the ``anomalous flow" would modify the charmonium color screening length by using the gauge/gravity correspondence. We derive an analytical expression quantifying the ``anomalous flow" experienced by a charmonium for a large class of chiral plasma with a gravity dual. We elaborate on the similarity and {\\it qualitative} difference between anomalous effects on the charmonium color screening length which are {\\it model-dependent} and those on the heavy quark drag force which are fixed by the second law of thermodynamics. We speculate on the possible charmonium dissociation induced by chiral anomaly in heavy ion collisions.

  7. Coulomb dissociation of $^{20,21}$N

    CERN Document Server

    Röder, Marko; Aksyutina, Yulia; Alcantara, Juan; Altstadt, Sebastian; Alvarez-Pol, Hector; Ashwood, Nicholas; Atar, Leyla; Aumann, Thomas; Avdeichikov, Vladimir; Barr, M; Beceiro, Saul; Bemmerer, Daniel; Benlliure, Jose; Bertulani, Carlos; Boretzky, Konstanze; Borge, Maria J G; Burgunder, G; Caamano, Manuel; Caesar, Christoph; Casarejos, Enrique; Catford, Wilton; Cederkall, Joakim; Chakraborty, S; Chartier, Marielle; Chulkov, Leonid; Cortina-Gil, Dolores; Crespo, Raquel; Pramanik, Ushasi Datta; Diaz-Fernandez, Paloma; Dillmann, Iris; Elekes, Zoltan; Enders, Joachim; Ershova, Olga; Estrade, A; Farinon, F; Fraile, Luis M; Freer, Martin; Freudenberger, M; Fynbo, Hans; Galaviz, Daniel; Geissel, Hans; Gernhäuser, Roman; Göbel, Kathrin; Golubev, Pavel; Diaz, Diego Gonzalez; Hagdahl, Julius; Heftrich, Tanja; Heil, Michael; Heine, Marcel; Heinz, Andreas; Henriques, Ana; Holl, Matthias; Ickert, G; Ignatov, Alexander; Jakobsson, Bo; Johansson, Hakan; Jonson, Björn; Kalantar-Nayestanaki, Nasser; Kanungo, Rituparna; Kelic-Heil, Aleksandra; Knöbel, Ronja; Kröll, Thorsten; Krücken, Reiner; Kurcewicz, J; Kurz, Nikolaus; Labiche, Marc; Langer, Christoph; Bleis, Tudi Le; Lemmon, Roy; Lepyoshkina, Olga; Lindberg, Simon; Machado, Jorge; Marganiec, Justyna; Caro, Magdalena Mostazo; Movsesyan, Alina; Najafi, Mohammad Ali; Nilsson, Thomas; Nociforo, Chiara; Panin, Valerii; Paschalis, Stefanos; Perea, Angel; Petri, Marina; Pietri, S; Plag, Ralf; Prochazka, A; Rahaman, Md Anisur; Rastrepina, Ganna; Reifarth, Rene; Ribeiro, Guillermo; Ricciardi, M Valentina; Rigollet, Catherine; Riisager, Karsten; Rossi, Dominic; Saez, Jose Sanchez del Rio; Savran, Deniz; Scheit, Heiko; Simon, Haik; Sorlin, Olivier; Stoica, V; Streicher, Branislav; Taylor, Jon; Tengblad, Olof; Terashima, Satoru; Thies, Ronja; Togano, Yasuhiro; Uberseder, Ethan; Van de Walle, J; Velho, Paulo; Volkov, Vasily; Wagner, Andreas; Wamers, Felix; Weick, Helmut; Weigand, Mario; Wheldon, Carl; Wilson, G; Wimmer, Christine; Winfield, J S; Woods, Philip; Yakorev, Dmitry; Zhukov, Mikhail; Zilges, Andreas; Zuber, Kai

    2016-01-01

    Neutron-rich light nuclei and their reactions play an important role for the creation of chemical elements. Here, data from a Coulomb dissociation experiment on $^{20,21}$N are reported. Relativistic $^{20,21}$N ions impinged on a lead target and the Coulomb dissociation cross section was determined in a kinematically complete experiment. Using the detailed balance theorem, the $^{19}\\mathrm{N}(\\mathrm{n},\\gamma)^{20}\\mathrm{N}$ and $^{20}\\mathrm{N}(\\mathrm{n},\\gamma)^{21}\\mathrm{N}$ excitation functions and thermonuclear reaction rates have been determined. The $^{19}\\mathrm{N}(\\mathrm{n},\\gamma)^{20}\\mathrm{N}$ rate is up to a factor of 5 higher at $T<1$\\,GK with respect to previous theoretical calculations, leading to a 10\\,\\% decrease in the predicted fluorine abundance.

  8. Grammatical category dissociation in multilingual aphasia.

    Science.gov (United States)

    Faroqi-Shah, Yasmeen; Waked, Arifi N

    2010-03-01

    Word retrieval deficits for specific grammatical categories, such as verbs versus nouns, occur as a consequence of brain damage. Such deficits are informative about the nature of lexical organization in the human brain. This study examined retrieval of grammatical categories across three languages in a trilingual person with aphasia who spoke Arabic, French, and English. In order to delineate the nature of word production difficulty, comprehension was tested, and a variety of concomitant lexical-semantic variables were analysed. The patient demonstrated a consistent noun-verb dissociation in picture naming and narrative speech, with severely impaired production of verbs across all three languages. The cross-linguistically similar noun-verb dissociation, coupled with little evidence of semantic impairment, suggests that (a) the patient has a true "nonsemantic" grammatical category specific deficit, and (b) lexical organization in multilingual speakers shares grammatical class information between languages. The findings of this study contribute to our understanding of the architecture of lexical organization in bilinguals.

  9. Enactments and dissociations driven by cultural differences.

    Science.gov (United States)

    Cohen, Etty

    2007-03-01

    Cultural differences between the analytic dyad can foster powerful transference-counter-transference feelings and potentially promote traumatic re-enactments. Those patients who are more directly affected by traumatic experiences may be able to verbalize what has happened to them only if they are convinced that their analysts are "taking in their horror, holding it for them, responding to it emotionally (reenacting) and giving it back in more modulated and containable" manner (Davies, 1997, p. 24). These mutual enactments that emerge in patients and their analysts can be understood as dissociated self-states. Clinical material is presented from the treatment of an African-American inner-city teenager and an Israeli teenage soldier to illustrate the emergence of enactments and dissociation in patient-analyst dyads.

  10. Dissociative Disorders: Between Neurosis and Psychosis

    Directory of Open Access Journals (Sweden)

    C. Devillé

    2014-01-01

    Full Text Available Dissociative disorders are a set of disorders defined by a disturbance affecting functions that are normally integrated with a prevalence of 2.4 percent in industrialised countries. These disorders are often poorly diagnosed or misdiagnosed because of sharing common clinical features with psychotic disorders, but requiring a very different trajectory of care. Repeated clinical situations in a crisis centre in Geneva provided us with a critical overview of current evidence of knowledge in clinical and etiopathological field about dissociative disorders. Because of their multiple expressions and the overlap with psychotic disorders, we focused on the clinical aspects using three different situations to better understand their specificity and to extend our thinking to the relevance of terms “neurosis” and “psychosis.” Finally, we hope that this work might help physicians and psychiatrists to become more aware of this complex set of disorders while making a diagnosis.

  11. The Generic Data Capture Facility

    Science.gov (United States)

    Connell, Edward B.; Barnes, William P.; Stallings, William H.

    The Generic Data Capture Facility, which can provide data capture support for a variety of different types of spacecraft while enabling operations costs to be carefully controlled, is discussed. The data capture functions, data protection, isolation of users from data acquisition problems, data reconstruction, and quality and accounting are addressed. The TDM and packet data formats utilized by the system are described, and the development of generic facilities is considered.

  12. Captured by Aliens

    Science.gov (United States)

    Achenbach, Joel

    2000-03-01

    Captured by Aliens is a long and twisted voyage from science to the supernatural and back again. I hung out in Roswell, N.M., spent time with the Mars Society, met a guy who was figuring out the best way to build a spaceship to go to Alpha Centauri. I visited the set of the X-Files and talked to Mulder and Scully. One day over breakfast I was told by NASA administrator Dan Goldin, We live in a fog, man! He wants the big answers to the big questions. I spent a night in the base of a huge radio telescope in the boondocks of West Virginia, awaiting the signal from the aliens. I was hypnotized in a hotel room by someone who suspected that I'd been abducted by aliens and that this had triggered my interest in the topic. In the last months of his life, I talked to Carl Sagan, who believed that the galaxy riots with intelligent civilizations. He's my hero, for his steadfast adherence to the scientific method. What I found in all this is that the big question that needs immediate attention is not what's out THERE, but what's going on HERE, on Earth, and why we think the way we do, and how we came to be here in the first place.

  13. Capture-recapture methodology

    Science.gov (United States)

    Gould, William R.; Kendall, William L.

    2013-01-01

    Capture-recapture methods were initially developed to estimate human population abundance, but since that time have seen widespread use for fish and wildlife populations to estimate and model various parameters of population, metapopulation, and disease dynamics. Repeated sampling of marked animals provides information for estimating abundance and tracking the fate of individuals in the face of imperfect detection. Mark types have evolved from clipping or tagging to use of noninvasive methods such as photography of natural markings and DNA collection from feces. Survival estimation has been emphasized more recently as have transition probabilities between life history states and/or geographical locations, even where some states are unobservable or uncertain. Sophisticated software has been developed to handle highly parameterized models, including environmental and individual covariates, to conduct model selection, and to employ various estimation approaches such as maximum likelihood and Bayesian approaches. With these user-friendly tools, complex statistical models for studying population dynamics have been made available to ecologists. The future will include a continuing trend toward integrating data types, both for tagged and untagged individuals, to produce more precise and robust population models.

  14. Inland capture fisheries.

    Science.gov (United States)

    Welcomme, Robin L; Cowx, Ian G; Coates, David; Béné, Christophe; Funge-Smith, Simon; Halls, Ashley; Lorenzen, Kai

    2010-09-27

    The reported annual yield from inland capture fisheries in 2008 was over 10 million tonnes, although real catches are probably considerably higher than this. Inland fisheries are extremely complex, and in many cases poorly understood. The numerous water bodies and small rivers are inhabited by a wide range of species and several types of fisher community with diversified livelihood strategies for whom inland fisheries are extremely important. Many drivers affect the fisheries, including internal fisheries management practices. There are also many drivers from outside the fishery that influence the state and functioning of the environment as well as the social and economic framework within which the fishery is pursued. The drivers affecting the various types of inland water, rivers, lakes, reservoirs and wetlands may differ, particularly with regard to ecosystem function. Many of these depend on land-use practices and demand for water which conflict with the sustainability of the fishery. Climate change is also exacerbating many of these factors. The future of inland fisheries varies between continents. In Asia and Africa the resources are very intensely exploited and there is probably little room for expansion; it is here that resources are most at risk. Inland fisheries are less heavily exploited in South and Central America, and in the North and South temperate zones inland fisheries are mostly oriented to recreation rather than food production.

  15. Dissociations between developmental dyslexias and attention deficits

    OpenAIRE

    Limor eLukov; Naama eFriedmann; Lilach eShalev; Lilach eKhentov-Kraus; Nir eShalev; Rakefet eLorber; Revital eGuggenheim

    2015-01-01

    We examine whether attention deficits underlie developmental dyslexia, or certain types of dyslexia, by presenting double dissociations between the two. We took into account the existence of distinct types of dyslexia and of attention deficits, and focused on dyslexias that may be thought to have an attentional basis: letter position dyslexia (LPD), in which letters migrate within words, attentional dyslexia (AD), in which letters migrate between words, neglect dyslexia, in which letters on o...

  16. Resource capture by single leaves

    Energy Technology Data Exchange (ETDEWEB)

    Long, S.P.

    1992-05-01

    Leaves show a variety of strategies for maximizing CO{sub 2} and light capture. These are more meaningfully explained if they are considered in the context of maximizing capture relative to the utilization of water, nutrients and carbohydrates reserves. There is considerable variation between crops in their efficiency of CO{sub 2} and light capture at the leaf level. Understanding of these mechanisms indicate some ways in which efficiency of resource capture could be level cannot be meaningfully considered without simultaneous understanding of implications at the canopy level. 36 refs., 5 figs., 1 tab.

  17. Dynamics of unimolecular dissociation of silylene

    Science.gov (United States)

    NoorBatcha, I.; Raff, Lionel M.; Thompson, Donald L.; Viswanathan, R.

    1986-04-01

    The semiempirical valence-bond surface formulated by Viswanathan et al. [J. Phys. Chem. 89, 1428 (1985)] for the unimolecular dissociation of SiH2 has been fitted to an analytical function of the type suggested by Murrell and co-workers [J. Phys. Chem. 88, 4887 (1984)]. The fitted surface accurately represents most of the experimental and CI results. The dynamics of the unimolecular dissociation of SiH2 to form Si and H2 have been investigated by classical trajectory methods on this fitted surface. The effect of describing the initial state of the molecule using normal and local mode approximations has been studied. In spite of the presence of the heavier atom, no bond or mode specificity is observed. The product energy distribution is found to be statistical. Using the RRK model, the high-pressure limiting rate coefficient is found to be k(T,∞)=3.38×1012 exp[-61.6 kcal mol-1/RT] s-1, which is less than the dissociation rate for SiH4. This has been attributed to the higher activation energy for SiH2 and to a statistical factor.

  18. Elastic and Proton-Dissociative Photoproduction of J/psi Mesons at HERA

    CERN Document Server

    Alexa, C; Baghdasaryan, A; Baghdasaryan, S; Bartel, W; Begzsuren, K; Belousov, A; Belov, P; Boudry, V; Bozovic-Jelisavcic, I; Brandt, G; Brinkmann, M; Brisson, V; Britzger, D; Buniatyan, A; Bylinkin, A; Bystritskaya, L; Campbell, A J; Cantun Avila, K B; Ceccopieri, F; Cerny, K; Chekelian, V; Contreras, J G; Cvach, J; Dainton, J B; Daum, K; De Wolf, E A; Diaconu, C; Dobre, M; Dodonov, V; Dossanov, A; Eckerlin, G; Egli, S; Elsen, E; Favart, L; Fedotov, A; Felst, R; Feltesse, J; Ferencei, J; Fischer, D J; Fleischer, M; Fomenko, A; Gabathuler, E; Gayler, J; Ghazaryan, S; Glazov, A; Goerlich, L; Gogitidze, N; Gouzevitch, M; Grab, C; Grebenyuk, A; Greenshaw, T; Grindhammer, G; Habib, S; Haidt, D; Henderson, R C W; Hennekemper, E; Herbst, M; Herrera, G; Hildebrandt, M; Hiller, K H; Hladky, J; Hoffmann, D; Horisberger, R; Hreus, T; Huber, F; Jacquet, M; Janssen, X; Jonsson, L; Jung, H; Kapichine, M; Kiesling, C; Klein, M; Kleinwort, C; Kogler, R; Kostka, P; Kramer, M; Kretzschmar, J; Kruger, K; Landon, M P J; Lange, W; Laycock, P; Lebedev, A; Levonian, S; Lipka, K; List, B; List, J; Lobodzinski, B; Lopez-Fernandez, R; Lubimov, V; Malinovski, E; Martyn, H U; Maxfield, S J; Mehta, A; Meyer, A B; Meyer, H; Meyer, J; Mikocki, S; Milcewicz-Mika, I; Morozov, A; Morris, J V; Muller, K; Naumann, Th; Newman, P R; Niebuhr, C; Nikitin, D; Nowak, G; Nowak, K; Olsson, J E; Ozerov, D; Pahl, P; Palichik, V; Pandurovic, M; Pascaud, C; Patel, G D; Perez, E; Petrukhin, A; Picuric, I; Pirumov, H; Pitzl, D; Placakyte, R; Pokorny, B; Polifka, R; Radescu, V; Raicevic, N; Ravdandorj, T; Reimer, P; Rizvi, E; Robmann, P; Roosen, R; Rostovtsev, A; Rotaru, M; Ruiz Tabasco, J E; Rusakov, S; Salek, D; Sankey, D P C; Sauter, M; Sauvan, E; Schmitt, S; Schoeffel, L; Schoning, A; Schultz-Coulon, H C; Sefkow, F; Shushkevich, S; Soloviev, Y; Sopicki, P; South, D; Spaskov, V; Specka, A; Staykova, Z; Steder, M; Stella, B; Stoicea, G; Straumann, U; Sykora, T; Thompson, P D; Traynor, D; Truol, P; Tsakov, I; Tseepeldorj, B; Turnau, J; Valkarova, A; Vallee, C; Van Mechelen, P; Vazdik, Y; Wegener, D; Wunsch, E; Zacek, J; Zalesak, J; Zhang, Z; Zlebcik, R; Zohrabyan, H; Zomer, F

    2013-01-01

    Cross sections for elastic and proton-dissociative photoproduction of J/psi mesons are measured with the H1 detector in positron-proton collisions at HERA. The data were collected at $ep$ centre-of-mass energies sqrt{s} approx 318 GeV and sqrt{s} approx 225 GeV, corresponding to integrated luminosities of L = 130 pb^{-1} and L = 10.8 pb^{-1}, respectively. The cross sections are measured as a function of the photon-proton centre-of-mass energy in the range 25< Wgp < 110 GeV. Differential cross sections $\\mathrm{d}\\sigma / \\mathrm{d}t$, where $t$ is the squared four-momentum transfer at the proton vertex, are measured in the range $|t| < 1.2 \\, \\gevsq$ for the elastic process and $|t| < 8 \\, \\gevsq$ for proton dissociation. The results are compared to other measurements. The $\\Wgp$ and $t$-dependences are parametrised using phenomenological fits.

  19. Electron-impact dissociative ionization of CClF{sub 3} and CCl{sub 3}F

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, Roberto [Facultad de Farmacia, Departamento de Quimica Fisica, Universidad del Pais Vasco, Paseo de la Universidad 7. 01006 Vitoria (Spain); Sierra, Borja [Facultad de Ciencia y Tecnologia, Departamento de Quimica Fisica, Universidad del Pais Vasco, Apdo. 644. 48080 Bilbao (Spain); Basterretxea, Francisco J. [Facultad de Ciencia y Tecnologia, Departamento de Quimica Fisica, Universidad del Pais Vasco, Apdo. 644. 48080 Bilbao (Spain); Sanchez Rayo, Maria N. [Facultad de Ciencia y Tecnologia, Departamento de Quimica Fisica, Universidad del Pais Vasco, Apdo. 644. 48080 Bilbao (Spain); Castano, Fernando [Facultad de Ciencia y Tecnologia, Departamento de Quimica Fisica, Universidad del Pais Vasco, Apdo. 644. 48080 Bilbao (Spain)], E-mail: f.castano@ehu.es

    2006-11-08

    A crossed-beam experiment of well characterized kinetic energy (KE) electrons and supersonic halomethanes CCl{sub 3}F and CClF{sub 3} in Ar carrier has been carried out in order to quantify the kinetic energy distributions (KEDs), the appearance energies (AEs) and the channels involved in the production of nascent ions. The ion KEDs were derived from the band profiles of the time-of-flight mass spectrum and the total KEDs computed using conservation laws. Heavier ions are created with KED peaked at thermal energies in contrast with low mass atoms or other fragments, where the distribution is broader and the maximum is at much higher energies. A discussion of the dissociative ionization pathways derived from the appearance energies, total average KEDs, thermodynamic enthalpies and computed electron dissociation energies is reported. The role of the vibrational and rotational energies into the dissociative processes is also discussed.

  20. The dissociation constant of water at extreme conditions

    Science.gov (United States)

    Gonzalez-Vazquez, Otto; Giacomazzi, Luigi; Pinilla, C.; Scandolo, Sandro

    2013-06-01

    Only one out of 107 water molecules is dissociated in liquid water at ambient conditions, but the concentration of dissociated molecules increases with pressure ad temperature, and water eventually reaches a fully dissociated state when pressure exceeds 50-100 GPa and temperature reaches a few thousand Kelvin. The behavior of the dissociation constant of water (pKa) at conditions intermediate between ambient and the fully dissociated state is poorly known. Yet, the water pKa is a parameter of primary importance in the aqueous geochemistry as it controls the solubility of ions in geological fluids. We present results of molecular dynamics calculations of the pKa water at extreme conditions. Free-energy differences between the undissociated and the dissociated state are calculated by thermodynamic integration along the dissociation path. The calculations are based on a recently developed all-atom polarizable force-field for water, parametrized on density-functional theory calculations.

  1. Zero-Point Energy Constraint for Unimolecular Dissociation Reactions. Giving Trajectories Multiple Chances To Dissociate Correctly.

    Science.gov (United States)

    Paul, Amit K; Hase, William L

    2016-01-28

    A zero-point energy (ZPE) constraint model is proposed for classical trajectory simulations of unimolecular decomposition and applied to CH4* → H + CH3 decomposition. With this model trajectories are not allowed to dissociate unless they have ZPE in the CH3 product. If not, they are returned to the CH4* region of phase space and, if necessary, given additional opportunities to dissociate with ZPE. The lifetime for dissociation of an individual trajectory is the time it takes to dissociate with ZPE in CH3, including multiple possible returns to CH4*. With this ZPE constraint the dissociation of CH4* is exponential in time as expected for intrinsic RRKM dynamics and the resulting rate constant is in good agreement with the harmonic quantum value of RRKM theory. In contrast, a model that discards trajectories without ZPE in the reaction products gives a CH4* → H + CH3 rate constant that agrees with the classical and not quantum RRKM value. The rate constant for the purely classical simulation indicates that anharmonicity may be important and the rate constant from the ZPE constrained classical trajectory simulation may not represent the complete anharmonicity of the RRKM quantum dynamics. The ZPE constraint model proposed here is compared with previous models for restricting ZPE flow in intramolecular dynamics, and connecting product and reactant/product quantum energy levels in chemical dynamics simulations.

  2. Laser capture microdissection: Arcturus(XT) infrared capture and UV cutting methods.

    Science.gov (United States)

    Gallagher, Rosa I; Blakely, Steven R; Liotta, Lance A; Espina, Virginia

    2012-01-01

    Laser capture microdissection (LCM) is a technique that allows the precise procurement of enriched cell populations from a heterogeneous tissue under direct microscopic visualization. LCM can be used to harvest the cells of interest directly or can be used to isolate specific cells by ablating the unwanted cells, resulting in histologically enriched cell populations. The fundamental components of laser microdissection technology are (a) visualization of the cells of interest via microscopy, (b) transfer of laser energy to a thermolabile polymer with either the formation of a polymer-cell composite (capture method) or transfer of laser energy via an ultraviolet laser to photovolatize a region of tissue (cutting method), and (c) removal of cells of interest from the heterogeneous tissue section. Laser energy supplied by LCM instruments can be infrared (810 nm) or ultraviolet (355 nm). Infrared lasers melt thermolabile polymers for cell capture, whereas ultraviolet lasers ablate cells for either removal of unwanted cells or excision of a defined area of cells. LCM technology is applicable to an array of applications including mass spectrometry, DNA genotyping and loss-of-heterozygosity analysis, RNA transcript profiling, cDNA library generation, proteomics discovery, and signal kinase pathway profiling. This chapter describes the unique features of the Arcturus(XT) laser capture microdissection instrument, which incorporates both infrared capture and ultraviolet cutting technology in one instrument, using a proteomic downstream assay as a model.

  3. Cross sections for H(-) and Cl(-) production from HCl by dissociative electron attachment

    Science.gov (United States)

    Orient, O. J.; Srivastava, S. K.

    1985-01-01

    A crossed target beam-electron beam collision geometry and a quadrupole mass spectrometer have been used to conduct dissociative electron attachment cross section measurements for the case of H(-) and Cl(-) production from HCl. The relative flow technique is used to determine the absolute values of cross sections. A tabulation is given of the attachment energies corresponding to various cross section maxima. Error sources contributing to total errors are also estimated.

  4. Simultaneous analysis of non-steroidal anti-inflammatory drugs and estrogenic hormones in water and wastewater samples using gas chromatography-mass spectrometry and gas chromatography with electron capture detection

    Energy Technology Data Exchange (ETDEWEB)

    Migowska, Natalia; Caban, Magda; Stepnowski, Piotr; Kumirska, Jolanta, E-mail: kumirska@chem.univ.gda.pl

    2012-12-15

    Non-steroidal anti-inflammatory drugs are the group of pharmaceuticals that is most often found in the environment, whereas estrogenic hormones are considered to be potent endocrine disruptors. However, the fate and persistence of these compounds in the environment are still unclear. In this study we propose two approaches for determining these compounds in environmental water samples: GC-MS using time windows and operating in selected ion-monitoring mode (SIM) and, for the first time, gas chromatography with electron capture detection (GC-ECD). The identification criteria of both methods fulfilled the requirements of Directive 2002/657/EC. The use of time windows improved the sensitivity of GC-MS measurements. In GC-MS analysis the pharmaceuticals were determined as trimethylsilyl, in GC-ECD as pentafluoropropionyl derivatives. The influence of such parameters as the type of reagent, type of solvent, reaction time, reaction temperature and microwave irradiation in a household microwave oven on the efficacy of silylation was investigated. Derivatization using N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) and 1% trimethylchlorosilane (TMCS) in pyridine (1:1, v/v) for 30 min in 60 Degree-Sign C was found to be optimal. Optimization of the solid phase extraction procedure (SPE) confirmed that the application of Oasis HLB cartridges, the acidification of loading samples to pH 2 and the use of methanol as eluent gave the best absolute recoveries (ARs) of the target compounds. The following ARs of all the compounds were achieved: 58.2-106.8% in influent wastewater, 77.8-103.4% in effluent wastewater and 81.2-101.9% in surface water samples. Validation of the SPE-GC-MS method enables 13 pharmaceuticals to be determined with MDLs between 3.3 and 343.6 ng/L, depending on the analytes and matrices. GC-ECD analysis enables the determination of 6 pharmaceuticals in surface water samples with MDLs between 0.7 and 5.4 ng/L. The proposed methods were successfully used for

  5. Simple b ions have cyclic oxazolone structures. A neutralization-reionization mass spectrometric and computational study of oxazolone radicals.

    Science.gov (United States)

    Chen, Xiaohong; Turecek, Frantisek

    2005-12-01

    The 2-methyloxazol-5-on-2-yl radical (3) and its deuterium labeled analogs were generated in the gas-phase by femtosecond electron-transfer and studied by neutralization-reionization mass spectrometry and quantum chemical calculations. Radical 3 undergoes fast dissociation by ring opening and elimination of CO and CH(3)CO. Loss of hydrogen is less abundant and involves hydrogen atoms from both the ring and side-chain positions. The experimental results are corroborated by the analysis of the potential energy surface of the ground electronic state in 3 using density functional, perturbational, and coupled-cluster theories up to CCSD(T) and extrapolated to the 6-311 ++ G(3df,2p) basis set. RRKM calculations of radical dissociations gave branching ratios for loss of CO and H that were k(CO)/k(H) > 10 over an 80-300 kJ mol(-1) range of internal energies. The driving force for the dissociations of 3 is provided by large Franck-Condon effects on vertical neutralization and possibly from involvement of excited electronic states. Calculations also provided the adiabatic ionization energy of 3, IE(adiab) = 5.48 eV and vertical recombination energy of cation 3(+), RE(vert) = 4.70 eV. The present results strongly indicate that oxazolone structures can explain fragmentations of b-type peptide ions upon electron capture, contrary to previous speculations.

  6. Carbon Capture: A Technology Assessment

    Science.gov (United States)

    2013-10-21

    monoethanolamine (MEA) and ammonia ; pre- combustion capture (also via chemical solvents) from the synthesis gas produced in an integrated coal gasification...71 D. Heaven et al., “ Synthesis Gas Purification in Gasification to Ammonia /Urea Plants,” Gasification Technologies...32 Ammonia -Based Capture Processes

  7. Muon capture on Chlorine-35

    CERN Document Server

    Arole, S; Gorringe, T P; Hasinoff, M D; Kovash, M A; Kuzmin, V; Moftah, B A; Sedlar, R; Stocki, T J; Tetereva, T

    2002-01-01

    We report measurements of $\\gamma$--ray spectra from muon capture on $^{35}$Cl. For the allowed Gamow--Teller transitions to the $^{35}$S$(2939, 3/2^+)$ state and the $^{35}$S$(3421, 5/2^+)$ state we obtained their capture rates, hyperfine dependences and $\\gamma$--$\

  8. On neutrinoless double electron capture

    CERN Document Server

    Drukarev, E G

    2016-01-01

    We found the probability for the neutrinoless double electron capture in the case of $KK$ capture. We clarified the mechanism of the energy transfer from the nucleus to the bound electrons. This enabled us to obtain the equations for the probability of the $2EC0\

  9. Oxygen adsorption and dissociation during the oxidation of monolayer Ti2C

    KAUST Repository

    Gan, Liyong

    2013-08-20

    Exfoliated two-dimensional early transition metal carbides and carbonitrides are usually not terminated by metal atoms but saturated by O, OH, and/or F, thus making it difficult to understand the surface structure evolution and the induced electronic modifications. To fill this gap, density functional theory and molecular dynamics simulations are performed to capture the initial stage of the oxidation process of Ti2C, a prototypical example from the recently fabricated class of two-dimensional carbides and carbonitrides. It is shown that the unsaturated Ti 3d orbitals of the pristine Ti2C surface interact strongly with the approaching O2 molecules, resulting in barrierless O2 dissociation. The diffusion of the dissociated O atoms is also found to be very facile. Molecular dynamics simulations suggest that both dissociation and diffusion are enhanced as the O2 coverage increases to 0.25 monolayer. For a coverage of less than 0.11 monolayer, the adsorbates lead to a minor modification of the electronic properties of Ti2C, while the modification is remarkable at 0.25 monolayer. The formed Ti2CO2 after O saturation is an indirect narrow gap semiconductor (0.33 eV) with high intrinsic carrier concentration at room temperature and high thermodynamic stability at intermediate temperature (e.g., 550 °C).

  10. Thermodynamics of Aβ16-21 dissociation from a fibril: Enthalpy, entropy, and volumetric properties.

    Science.gov (United States)

    Rao Jampani, Srinivasa; Mahmoudinobar, Farbod; Su, Zhaoqian; Dias, Cristiano L

    2015-11-01

    Here, we provide insights into the thermodynamic properties of A β16-21 dissociation from an amyloid fibril using all-atom molecular dynamics simulations in explicit water. An umbrella sampling protocol is used to compute potentials of mean force (PMF) as a function of the distance ξ between centers-of-mass of the A β16-21 peptide and the preformed fibril at nine temperatures. Changes in the enthalpy and the entropic energy are determined from the temperature dependence of these PMF(s) and the average volume of the simulation box is computed as a function of ξ. We find that the PMF at 310 K is dominated by enthalpy while the entropic energy does not change significantly during dissociation. The volume of the system decreases during dissociation. Moreover, the magnitude of this volume change also decreases with increasing temperature. By defining dock and lock states using the solvent accessible surface area (SASA), we find that the behavior of the electrostatic energy is different in these two states. It increases (unfavorable) and decreases (favorable) during dissociation in lock and dock states, respectively, while the energy due to Lennard-Jones interactions increases continuously in these states. Our simulations also highlight the importance of hydrophobic interactions in accounting for the stability of A β16-21.

  11. Characterization and Modeling of the Collision Induced Dissociation Patterns of Deprotonated Glycosphingolipids: Cleavage of the Glycosidic Bond

    Science.gov (United States)

    Rožman, Marko

    2016-01-01

    Glycosphingolipid fragmentation behavior was investigated by combining results from analysis of a series of negative ion tandem mass spectra and molecular modeling. Fragmentation patterns extracted from 75 tandem mass spectra of mainly acidic glycosphingolipid species (gangliosides) suggest prominent cleavage of the glycosidic bonds with retention of the glycosidic oxygen atom by the species formed from the reducing end (B and Y ion formation). Dominant product ions arise from dissociation of sialic acids glycosidic bonds whereas product ions resulting from cleavage of other glycosidic bonds are less abundant. Potential energy surfaces and unimolecular reaction rates of several low-energy fragmentation pathways leading to cleavage of glycosidic bonds were estimated in order to explain observed dissociation patterns. Glycosidic bond cleavage in both neutral (unsubstituted glycosyl group) and acidic glycosphingolipids was the outcome of the charge-directed intramolecular nucleophilic substitution (SN2) mechanism. According to the suggested mechanism, the nucleophile in a form of carboxylate or oxyanion attacks the carbon at position one of the sugar ring, simultaneously breaking the glycosidic bond and yielding an epoxide. For gangliosides, unimolecular reaction rates suggest that dominant product ions related to the cleavage of sialic acid glycosidic bonds are formed via direct dissociation channels. On the other hand, low abundant product ions related to the dissociation of other glycosidic bonds are more likely to be the result of sequential dissociation. Although results from this study mainly contribute to the understanding of glycosphingolipid fragmentation chemistry, some mechanistic findings regarding cleavage of the glycosidic bond may be applicable to other glycoconjugates.

  12. The role of water in gas hydrate dissociation

    Science.gov (United States)

    Circone, S.; Stern, L.A.; Kirby, S.H.

    2004-01-01

    When raised to temperatures above the ice melting point, gas hydrates release their gas in well-defined, reproducible events that occur within self-maintained temperature ranges slightly below the ice point. This behavior is observed for structure I (carbon dioxide, methane) and structure II gas hydrates (methane-ethane, and propane), including those formed with either H2O- or D2O-host frameworks, and dissociated at either ambient or elevated pressure conditions. We hypothesize that at temperatures above the H2O (or D2O) melting point: (1) hydrate dissociation produces water + gas instead of ice + gas, (2) the endothermic dissociation reaction lowers the temperature of the sample, causing the water product to freeze, (3) this phase transition buffers the sample temperatures within a narrow temperature range just below the ice point until dissociation goes to completion, and (4) the temperature depression below the pure ice melting point correlates with the average rate of dissociation and arises from solution of the hydrate-forming gas, released by dissociation, in the water phase at elevated concentrations. In addition, for hydrate that is partially dissociated to ice + gas at lower temperatures and then heated to temperatures above the ice point, all remaining hydrate dissociates to gas + liquid water as existing barriers to dissociation disappear. The enhanced dissociation rates at warmer temperatures are probably associated with faster gas transport pathways arising from the formation of water product.

  13. Ultraviolet irradiation-induced substitution of fluorine with hydroxyl radical for mass spectrometric analysis of perfluorooctane sulfonyl fluoride.

    Science.gov (United States)

    Wang, Peng; Tang, Xuemei; Huang, Lulu; Kang, Jie; Zhong, Hongying

    2016-01-28

    A rapid and solvent free substitution reaction of a fluorine atom in perfluorooctane sulfonyl fluoride (PFOSF) with a hydroxyl radical is reported. Under irradiation of ultraviolet laser on semiconductor nanoparticles or metal surfaces, hydroxyl radicals can be generated through hole oxidization. Among all fluorine atoms of PFOSF, highly active hydroxyl radicals specifically substitute the fluorine of sulfonyl fluoride functional group. Resultant perfluorooctane sulfonic acid is further ionized through capture of photo-generated electrons that switch the neutral molecules to negatively charged odd electron hypervalent ions. The unpaired electron subsequently initiates α O-H bond cleavage and produces perfluorooctane sulfonate negative ions. Hydroxyl radical substitution and molecular dissociation of PFOSF have been confirmed by masses with high accuracy and resolution. It has been applied to direct mass spectrometric imaging of PFOSF adsorbed on surfaces of plant leaves.

  14. Identification of sites of ubiquitination in proteins: a fourier transform ion cyclotron resonance mass spectrometry approach.

    Science.gov (United States)

    Cooper, Helen J; Heath, John K; Jaffray, Ellis; Hay, Ronald T; Lam, Tukiet T; Marshall, Alan G

    2004-12-01

    Structural elucidation of posttranslationally modified peptides and proteins is of key importance in the understanding of an array of biological processes. Ubiquitination is a reversible modification that regulates many cellular functions. Consequences of ubiquitination depend on whether a single ubiquitin or polyubiquitin chain is added to the tagged protein. The lysine residue through which the polyubiquitin chain is formed is also critical for biological activity. Robust methods are therefore required to identify sites of ubiquitination modification, both in the target protein and in ubiquitin. Here, we demonstrate the suitability of Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry, in conjunction with activated ion electron capture dissociation (AI ECD) or infrared multiphoton dissociation (IRMPD), for the analysis of ubiquitinated proteins. Polyubiquitinated substrate protein GST-Ubc5 was generated in vitro. Tryptic digests of polyubiquitinated species contain modified peptides in which the ubiquitin C-terminal Gly-Gly residues are retained on the modified lysine residues. Direct infusion microelectrospray FT-ICR of the digest and comparison with an in silico digest enables identification of modified peptides and therefore sites of ubiquitination. Fifteen sites of ubiquitination were identified in GST-Ubc5 and four sites in ubiquitin. Assignments were confirmed by AI ECD or IRMPD. The Gly-Gly modification is stable and both tandem mass spectrometric techniques are suitable, providing extensive sequence coverage and retention of the modification on backbone fragments.

  15. Materials For Gas Capture, Methods Of Making Materials For Gas Capture, And Methods Of Capturing Gas

    KAUST Repository

    Polshettiwar, Vivek

    2013-06-20

    In accordance with the purpose(s) of the present disclosure, as embodied and broadly described herein, embodiments of the present disclosure, in one aspect, relate to materials that can be used for gas (e.g., CO.sub.2) capture, methods of making materials, methods of capturing gas (e.g., CO.sub.2), and the like, and the like.

  16. Lebanon and Syria: between dissociation and spillover

    Directory of Open Access Journals (Sweden)

    Javier Lion Bustillo

    2014-12-01

    Full Text Available The risk of Syrian civil war violence spreading towards Lebanon is high. This can be explained by various factors deriving as much from the neighbouring conflict as from other existing factors in Lebanese politics, which have led to the significant collaboration of Lebanon’s Future Movement and Hezbollah with their respective allies in Syria, and to undermining Najib Mikati’s dissociation policies. However, the leaders of those parties tend to balance their will to preserve their confessional leadership with an image of being the defender of national interests. This limits the possibility of an openly sectarian conflict, but it does not totally eliminate it.

  17. A century of progress in molecular mass spectrometry.

    Science.gov (United States)

    McLafferty, Fred W

    2011-01-01

    The first mass spectrum of a molecule was measured by J.J. Thomson in 1910. Mass spectrometry (MS) soon became crucial to the study of isotopes and atomic weights and to the development of atomic weapons for World War II. Its notable applications to molecules began with the quantitative analysis of light hydrocarbons during World War II. When I joined the Dow Chemical Company in 1950, MS was not favored by organic chemists. This situation improved only with an increased understanding of gaseous ion chemistry, which was obtained through the use of extensive reference data. Gas chromatography-MS was developed in 1956, and tandem MS was first used a decade later. In neutralization-reionization MS, an unusual, unstable species is prepared by ion-beam neutralization and characterized by reionization. Electrospray ionization of a protein mixture produces its corresponding ionized molecules. In top-down proteomics, ions from an individual component can be mass separated and subjected to collision-activated and electron-capture dissociation to provide extensive sequence information.

  18. Provenance Datasets Highlighting Capture Disparities

    Science.gov (United States)

    2014-01-01

    the Web pages of the universities and institutes.1 Notes are made and links pasted in a variety of formats. Files are saved on a shared drive. When...institutions/ 3. Capture Methods There are several capture methods that are available for use [4]: • Manual capture. • Scraping of logs or...the high-level user desktop. Save links App: Word, SharePoint User: Alice Web Data Web Data Web Data Web Data Web Data Web Data Notes.txt Create

  19. Dissociation and fantasy proneness in psychiatric patients: a preliminary study.

    Science.gov (United States)

    Merckelbach, Harald; à Campo, Joost; Hardy, Solange; Giesbrecht, Timo

    2005-01-01

    Nonclinical studies found that dissociative experiences are intimately linked to a trait known as fantasy proneness. We examined the links among dissociative symptoms, fantasy proneness, and impulsivity in psychiatric outpatients. Our sample consisted of 22 patients with schizophrenia, 20 patients with a diagnosis of borderline personality disorder, and 19 patients with a major depressive disorder. For the whole sample, levels of dissociation were found to be related to fantasy proneness and impulsivity. There were group differences in dissociative symptoms, with patients with borderline personality disorder reporting more such symptoms than patients with either schizophrenia or major depressive disorder. The overlap between dissociation and fantasy proneness may have important ramifications for studies addressing comorbid phenomena of dissociative symptoms.

  20. Strain-Induced Water Dissociation on Supported Ultrathin Oxide Films

    CERN Document Server

    Song, Zhenjun; Xu, Hu

    2015-01-01

    Controlling the dissociation of single water molecule on an insulating surface plays a crucial role in many catalytic reactions. In this Letter, we have identified the enhanced chemical reactivity of ultrathin MgO(100) films deposited on Mo(100) substrate that causes water dissociation. We reveal that the ability to split water on insulating surface closely depends on the lattice mismatch between ultrathin films and the underlying substrate, and substrate-induced in-plane tensile strain dramatically results in water dissociation on MgO(100). Three dissociative adsorption configurations of water with lower energy are predicted, and the structural transition going from molecular form to dissociative form is almost barrierless. Our results provide an effective avenue to achieve water dissociation at the single-molecule level and shed light on how to tune the chemical reactions of insulating surfaces by choosing the suitable substrates.

  1. Diastereomeric resolution directed towards chirality determination focussing on gas-phase energetics of coordinated sodium dissociation

    Science.gov (United States)

    Kanie, Osamu; Shioiri, Yuki; Ogata, Koji; Uchida, Waka; Daikoku, Shusaku; Suzuki, Katsuhiko; Nakamura, Shinichiro; Ito, Yukishige

    2016-01-01

    Defining chiral centres is addressed by introducing a pair of chiral auxiliary groups. Ions of diastereomeric pairs of molecules could be distinguished utilising energy-resolved mass spectrometry, and the applicability of the method to a series of compounds carrying amine, carboxylic acid, alcohol, and all the amino acids was verified. The method was further strengthened by distinguishing diastereomeric ions that did not undergo fragmentation. Mass spectrometric evaluation of the dissociation process of adducted sodium cations from the diastereomeric precursors agreed with the theoretical calculations, indicating the potential usefulness of the method for the determination of absolute configurations. PMID:27040078

  2. Optimized Fast and Sensitive Acquisition Methods for Shotgun Proteomics on a Quadrupole Orbitrap Mass Spectrometer

    DEFF Research Database (Denmark)

    Kelstrup, Christian D; Young, Clifford; Lavallee, Richard;

    2012-01-01

    Advances in proteomics are continually driven by the introduction of new mass spectrometric instrumentation with improved performances. The recently introduced quadrupole Orbitrap (Q Exactive) tandem mass spectrometer allows fast acquisition of high-resolution higher-energy collisional dissociation...

  3. Alkali promotion of N-2 dissociation over Ru(0001)

    DEFF Research Database (Denmark)

    Mortensen, Jens Jørgen; Hammer, Bjørk; Nørskov, Jens Kehlet

    1998-01-01

    Using self-consistent density functional calculations, we show that adsorbed Na and Cs lower the barrier for dissociation of N2 on Ru(0001). Since N2 dissociation is a crucial step in the ammonia synthesis reaction, we explain in this way the experimental observation that alkali metals promote...... the ammonia synthesis reaction over Ru catalysts. We also show that the origin of this effect is predominantly a direct electrostatic attraction between the adsorbed alkali atoms and the dissociating molecule....

  4. Above-Threshold Dissociation of HD+ in Femtosecond Laser Field

    Institute of Scientific and Technical Information of China (English)

    BA Song-Yue; YUAN Kai-Jun; HAN Yong-Chang; CONG Shu-Lin

    2008-01-01

    @@ The above-threshold dissociation (ATD) of the HD+ molecular ion in femtosecond laser field is investigated theoretically. The energy-dependent distribution of the dissociated fragments is calculated using an asymptotic-flow expression in the momentum space. The calculations show that the ATD of HD+ is sensitive to the initial vibrational level of ground electronic state. Multiphoton ATDs can be observed in the dissociation processes. The dynamics phenomena are interpreted by using the concept of light-dressed potential.

  5. Multigenerational Dissociation: A Framework for Building Narrative.

    Science.gov (United States)

    McCollum, Sally E

    2015-01-01

    This paper presents the concept of Multigenerational Dissociation (MGD), a behavior pattern that occurs in families in which violence and abuse are re-enacted from one generation to the next, accompanied by denial that the trauma occurred, or if it did, that it was destructive. While revictimization, reenactment, and the intergenerational transmission of trauma are discussed extensively in the literature, MGD helps to view them within a broad historical framework. This is useful for conceptualizing cases therapeutically, and it can also contribute to research on dissociation and recovered memories of trauma and abuse by demonstrating the value of narrative clinical data. Case material is used to illustrate how MGD occurs in people's lives and affects their memories, demonstrating how it becomes a frame within which to convey the dynamics of how traumatic experiences are remembered. This also demonstrates that when clinicians contribute their own narrative data to research on traumatic memory, the science is more accurate, relevant, and comprehensible to clinical and nonclinical researchers.

  6. Dissociation in hypnosis and multiple personality disorder.

    Science.gov (United States)

    Bowers, K S

    1991-07-01

    The first part of this paper examines the concept of dissociation in the context of hypnosis. In particular, the neodissociative and social psychological models of hypnosis are compared. It is argued that the social psychological model, in describing hypnotic enactments as purposeful, does not adequately distinguish between behavior that is enacted "on purpose" and behavior that serves or achieves a purpose. 2 recent dissertations (Hughes, 1988; Miller, 1986) from the University of Waterloo are summarized, each of which supports the neodissociative view that hypnotic behavior can be purposeful (in the sense that the suggested state of affairs is achieved) and nonvolitional (in the sense that the suggested state of affairs is not achieved by high level executive initiative and ongoing effort). The second part of the paper employs a neodissociative view of hypnosis to help understand the current epidemic of multiple personality disorder (MPD). In particular, it is argued that many symptoms of MPD are implicitly suggested effects--particularly prone to occur in persons who have a lifelong tendency to use dissociative type defenses. The present author believes that this account is easier to sustain conceptually and empirically than the current view, which states that a secondary (tertiary, etc.) personality accounts for the striking phenomenological discontinuities experienced by MPD patients.

  7. CO dissociation on magnetic Fen clusters

    KAUST Repository

    Jedidi, Abdesslem

    2014-01-01

    This work theoretically investigates the CO dissociation on Fen nanoparticles, for n in the range of 1-65, focusing on size dependence in the context of the initial step of the Fischer-Tropsch reaction. CO adsorbs molecularly through its C-end on a triangular facet of the nanoparticle. Dissociation becomes easier when the cluster size increases. Then, the C atom is bonded to a square facet that is generated as a result of the adsorption if it does not yet exist in the bare cluster, while the O atom is adsorbed on a triangular facet. In the most stable situation, the two adsorbed atoms remain close together, both having in common one shared first-neighbor iron atom. There is a partial spin quenching of the neighboring Fe atoms, which become more positively charged than the other Fe atoms. The shared surface iron atom resembles a metal-cation from a complex. Despite the small size of the iron cluster considered, fluctuations due to specific configurations do not influence properties for n > 25 and global trends seem significant.

  8. Dissociative and non-dissociative photoionization of molecular fluorine from inner and valence shells

    Energy Technology Data Exchange (ETDEWEB)

    Ayuso, D.; Palacios, A. [Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Decleva, P. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, 34127 Trieste (Italy); CNR-IOM, Trieste (Italy); Martín, F., E-mail: fernando.martin@uam.es [Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Instituto Madrileño de Estudios Avanzados en Nanociencia, Cantoblanco, 28049 Madrid (Spain)

    2014-08-15

    Highlights: • We theoretically analyze the angle-integrated photoionization cross sections of the fluorine molecule, which have been computed up to hundreds of eV using a DFT-like methodology that takes into account the nuclear degrees of freedom. • We have considered electron ejection from all the molecular orbitals and found that the corresponding cross sections show an oscillatory behavior as a function of the photoelectron momentum, which is the result of the double-slit type interferences. • We further compute dissociative and non-dissociative ionization channels. • Dissociative ionization is negligible in other diatomic molecules such N{sub 2} or CO, whereas is visible for F{sub 2} when the electron is ejected from the 1u or the 3σ{sub g} molecular orbitals. - Abstract: We present a theoretical study of F{sub 2} photoionization in the range 0–40 a.u. of photoelectron energy, where the undulatory behavior of the corresponding angle-integrated cross sections due to electron emission from equivalent centers is apparent. These double-slit type interferences are observed in both inner- and valence-shell ionization. We analyze confinement effects that appear at given energies when the electron is ejected parallel to the molecular axis. Since we account for the nuclear degrees of freedom, we evaluate and discuss the vibrationally resolved cross sections, including both dissociative and non-dissociative ionization channels. We also analyze the ratios between the latter cross sections and the relationship between the observed oscillations and the structure of the molecule.

  9. Impact detections of temporarily captured natural satellites

    Science.gov (United States)

    Clark, David; Spurný, Pavel; Wiegert, Paul; Brown, Peter G.; Borovicha, Jiri; Tagliaferri, Ed; Shrbeny, Lukas

    2016-10-01

    Temporarily Captured Orbiters (TCOs) are Near-Earth Objects (NEOs) which make a few orbits of Earth before returning to heliocentric orbits. Only one TCO has been observed to date, 2006 RH120, captured by Earth for one year before escaping. Detailed modeling predicts capture should occur from the NEO population predominantly through the Sun-Earth L1 and L2 points, with 1% of TCOs impacting Earth and approximately 0.1% of meteoroids being TCOs. Although thousands of meteoroid orbits have been measured, none until now have conclusively exhibited TCO behaviour, largely due to difficulties in measuring initial meteoroid speed with sufficient precision. We report on a precise meteor observation of January 13, 2014 by a new generation of all-sky fireball digital camera systems operated in the Czech Republic as part of the European Fireball Network, providing the lowest natural object entry speed observed in decades long monitoring by networks world-wide. Modeling atmospheric deceleration and fragmentation yields an initial mass of ~5 kg and diameter of 15 cm, with a maximum Earth-relative velocity just over 11.0 km/s. Spectral observations prove its natural origin. Back-integration across observational uncertainties yields a 92 - 98% probability of TCO behaviour, with close lunar dynamical interaction. The capture duration varies across observational uncertainties from 48 days to 5+ years. We also report on two low-speed impacts recorded by US Government sensors, and we examine Prairie Network event PN39078 from 1965 having an extremely low entry speed of 10.9 km/s. In these cases uncertainties in measurement and origin make TCO designation uncertain.

  10. Accurate studies on dissociation energies of diatomic molecules

    Institute of Scientific and Technical Information of China (English)

    SUN; WeiGuo; FAN; QunChao

    2007-01-01

    The molecular dissociation energies of some electronic states of hydride and N2 molecules were studied using a parameter-free analytical formula suggested in this study and the algebraic method (AM) proposed recently. The results show that the accurate AM dissociation energies DeAM agree excellently with experimental dissociation energies Deexpt, and that the dissociation energy of an electronic state such as the 23△g state of 7Li2 whose experimental value is not available can be predicted using the new formula.

  11. Altered states of consciousness, dissociation, and dream recall.

    Science.gov (United States)

    Suszek, Hubert; Kopera, Maciej

    2005-02-01

    In a sample of 71 medical students, dream recall frequency was positively correlated with proneness to altered states of consciousness (r = .26) measured by the State of Mind and Consciousness Questionnaire and dissociation (r = .29) measured by the Dissociative Experiences Scale II. A regression analysis, however, yielded neither altered states of consciousness nor dissociation, sex, or age to be significant predictors of dream recall frequency. Among women dream recall frequency was associated with proneness to dissociation; among men it was correlated with proneness to altered states of consciousness.

  12. Dissociation curves of diatomic molecules: A DC-DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Sim, Eunji; Kim, Min-Cheol [Department of Chemistry and Institute of Nano-Bio Molecular Assemblies, Yonsei University, Seoul 120-749 (Korea, Republic of); Burke, Kieron [Department of Chemistry, University of California, Irvine, CA, 92697 (United States)

    2015-12-31

    We investigate dissociation of diatomic molecules using standard density functional theory (DFT) and density-corrected density functional theory (DC-DFT) compared with CCSD(T) results as reference. The results show the difference between the HOMO values of dissociated atomic species often can be used as an indicator whether DFT would predict the correct dissociation limit. DFT predicts incorrect dissociation limits and charge distribution in molecules or molecular ions when the fragments have large HOMO differences, while DC-DFT and CCSD(T) do not. The criteria for large HOMO difference is about 2 ∼ 4 eV.

  13. Childhood maltreatment and intimate partner violence in dissociative disorder patients

    Directory of Open Access Journals (Sweden)

    Aliya R. Webermann

    2014-09-01

    Full Text Available Background: Childhood maltreatment (CM is a risk factor for subsequent intimate partner violence (IPV in adulthood, with high rates of retrospectively reported CM among IPV victims and perpetrators. A theorized mechanism of the link between CM and IPV is dissociation. Dissociation may allow perpetrators of violence to remain emotionally distant from their behavior and minimize empathy toward those they victimize, enabling them to commit acts of violence similar to their own experiences. Indeed, elevated rates of dissociation and dissociative disorders (DD have been found among IPV survivors and perpetrators. In addition, in pilot studies, DD clinicians have reported high levels of violent behavior among DD patients. Objective: The present study investigates IPV among DD patients with Dissociative Identity Disorder and Dissociative Disorder Not Otherwise Specified, a group with CM rates of 80–95% and severe dissociative symptoms. Methods: DD clinicians reported on rates of CM and IPV among 275 DD patients in outpatient treatment. DD patients also completed a self-report measure of dissociation. Analyses assessed the associations between CM typologies and IPV, as well as trait dissociation and IPV. Results: Physical and emotional child abuse were associated with physical IPV, and childhood witnessing of domestic violence (DV and childhood neglect were associated with emotional IPV. Conclusions: The present study is the first to provide empirical support for a possible CM to adult IPV developmental trajectory among DD patients. Future research is needed to better understand the link between CM and IPV among those with trauma and DD.

  14. Enzymes in CO2 Capture

    DEFF Research Database (Denmark)

    Fosbøl, Philip Loldrup; Gladis, Arne; Thomsen, Kaj

    of carbon capture is the application of enzymes for acceleration of typically slow ternary amines or inorganic carbonates. There is a hidden potential to revive currently infeasible amines which have an interesting low energy consumption for regeneration but too slow kinetics for viable CO2 capture. The aim......The enzyme Carbonic Anhydrase (CA) can accelerate the absorption rate of CO2 into aqueous solutions by several-fold. It exist in almost all living organisms and catalyses different important processes like CO2 transport, respiration and the acid-base balances. A new technology in the field...... of this work is to discuss the measurements of kinetic properties for CA promoted CO2 capture solvent systems. The development of a rate-based model for enzymes will be discussed showing the principles of implementation and the results on using a well-known ternary amine for CO2 capture. Conclusions...

  15. Methane capture from livestock manure.

    Science.gov (United States)

    Tauseef, S M; Premalatha, M; Abbasi, Tasneem; Abbasi, S A

    2013-03-15

    It has been estimated that livestock manure contributes about 240 million metric tons of carbon dioxide equivalent of methane to the atmosphere and represents one of the biggest anthropogenic sources of methane. Considering that methane is the second biggest contributor to global warming after carbon dioxide, it is imperative that ways and means are developed to capture as much of the anthropogenic methane as possible. There is a major associated advantage of methane capture: its use as a source of energy which is comparable in 'cleanness' to natural gas. The present review dwells upon the traditional ways of methane capture used in India, China, and other developing countries for providing energy to the rural poor. It then reviews the present status of methane capture from livestock manure in developed countries and touches upon the prevalent trends.

  16. Lunar Sulfur Capture System Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The Lunar Sulfur Capture System (LSCS) is an innovative method to recover sulfur compounds from lunar soil using sorbents derived primarily from in-situ resources....

  17. Controls on Gas Hydrate Formation and Dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Miriam Kastner; Ian MacDonald

    2006-03-03

    The main objectives of the project were to monitor, characterize, and quantify in situ the rates of formation and dissociation of methane hydrates at and near the seafloor in the northern Gulf of Mexico, with a focus on the Bush Hill seafloor hydrate mound; to record the linkages between physical and chemical parameters of the deposits over the course of one year, by emphasizing the response of the hydrate mound to temperature and chemical perturbations; and to document the seafloor and water column environmental impacts of hydrate formation and dissociation. For these, monitoring the dynamics of gas hydrate formation and dissociation was required. The objectives were achieved by an integrated field and laboratory scientific study, particularly by monitoring in situ formation and dissociation of the outcropping gas hydrate mound and of the associated gas-rich sediments. In addition to monitoring with the MOSQUITOs, fluid flow rates and temperature, continuously sampling in situ pore fluids for the chemistry, and imaging the hydrate mound, pore fluids from cores, peepers and gas hydrate samples from the mound were as well sampled and analyzed for chemical and isotopic compositions. In order to determine the impact of gas hydrate dissociation and/or methane venting across the seafloor on the ocean and atmosphere, the overlying seawater was sampled and thoroughly analyzed chemically and for methane C isotope ratios. At Bush hill the pore fluid chemistry varies significantly over short distances as well as within some of the specific sites monitored for 440 days, and gas venting is primarily focused. The pore fluid chemistry in the tub-warm and mussel shell fields clearly documented active gas hydrate and authigenic carbonate formation during the monitoring period. The advecting fluid is depleted in sulfate, Ca Mg, and Sr and is rich in methane; at the main vent sites the fluid is methane supersaturated, thus bubble plumes form. The subsurface hydrology exhibits both

  18. Radiative muon capture on hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Bertl, W. (Paul Scherrer Inst. (PSI), Villigen (Switzerland)); Ahmad, S.; Chen, C.Q.; Gumplinger, P.; Hasinoff, M.D.; Larabee, A.J.; Sample, D.G.; Schott, W.; Wright, D.H. (British Columbia Univ., Vancouver (Canada)); Armstrong, D.S.; Blecher, M. (Virginia Polytechnic Inst., Blacksburg, VA (United States) Virginia State Univ., Blacksburg, VA (United States)); Azuelos, G. (British Columbia Univ., Vancouver (Canada). TRIUMF Facility Montreal Univ., Quebec (Canada)); Depommier, P.; Jonkmans, G. (Montreal Univ., Quebec (Canada)); Gorringe, T.P. (Kentucky Univ., Lexington, KY (United States)); Henderson, R. (British Columbia Univ., Vancouver (Canada). TRIUMF Facility Melbourne Univ., Parkville (Australia)); Macdonald, J.A.; Poutissou, J.M.; Poutissou, R.; Von Egidy, T.; Zhang, N.S. (British Columbia Univ., Vancouver (Canada). TRIUMF Facility); McDonald, S.C.; Taylor, G.N. (Melbourne Univ., Parkville (Australia)); Robertson, B.D. (Queen' s Univ., Kingston, Ontario (Canada))

    1992-01-01

    The radiative capture of negative muons by protons can be used to measure the weak induced pseudoscalar form factor. Brief arguments why this method is preferable to ordinary muon capture are given followed by a discussion of the experimental difficulties. The solution to these problems as attempted by experiment no. 452 at TRIUMF is presented together with preliminary results from the first run in August 1990. An outlook on the expected final precision and the experimental schedule is also given. (orig.).

  19. Toward transformational carbon capture systems

    Energy Technology Data Exchange (ETDEWEB)

    Miller, David C. [National Energy Technology Laboratory, U.S. Dept. of Energy, Pittsburgh PA (United States); Litynski, John T. [Office of Fossil Energy, U.S. Dept. of Energy, Washington DC (United States); Brickett, Lynn A. [National Energy Technology Laboratory, U.S. Dept. of Energy, Pittsburgh PA (United States); Morreale, Bryan D. [National Energy Technology Laboratory, U.S. Dept. of Energy, Pittsburgh PA (United States)

    2015-10-28

    This paper will briefly review the history and current state of Carbon Capture and Storage (CCS) research and development and describe the technical barriers to carbon capture. it will argue forcefully for a new approach to R&D, which leverages both simulation and physical systems at the laboratory and pilot scales to more rapidly move the best technoogies forward, prune less advantageous approaches, and simultaneously develop materials and processes.

  20. Dissociation of heavy quarkonium in hot QCD medium in a quasi-particle model

    CERN Document Server

    Agotiya, Vineet K; Jamal, M Yousuf; Nilima, Indrani

    2016-01-01

    Following a recent work on the effective description of the equations of state for hot QCD obtained from a Hard thermal loop expression for the gluon self-energy, in terms of the quasi-gluons and quasi- quark/anti-quarks with respective effective fugacities, the dissociation process of heavy quarkonium in hot QCD medium has been investigated. This has been done by investigating the medium modification to a heavy quark potential. The medium modified potential has a quite different form (a long range Coulomb tail in addition to the usual Yukawa term) in contrast to the usual picture of Debye screening. The flavor dependence of the binding energies of the heavy quarkonia states and the dissociation temperature have been obtained by employing the debye mass for pure gluonic and full QCD case computed employing the quasi-particle picture. Thus estimated dissociation patterns of the charmonium and bottomonium states, considering Debye mass from different approaches in pure gluonic case and full QCD, have shown good...

  1. Isotope selectivity of infrared laser-driven unimolecular dissociation of a volatile uranyl compound.

    Science.gov (United States)

    Cox, D M; Hall, R B; Horsley, J A; Kramer, G M; Rabinowitz, P; Kaldor, A

    1979-07-27

    Isotope-selective photodissociation of the volatile complex uranyl hexafluoroacetylacetonate . tetrahydrofuran [UO(2)(hfacac)(2) . THF] has been achieved with both a continuous-wave and a pulsed carbon dioxide laser. The photodissociation was carried out in a low-density molecular beam under collisionless conditions. Transitions of the laser are in resonance with the asymmetric O-U-O stretch of the uranyl moiety, a vibrational mode whose frequency is sensitive to the masses of the uranium and oxygen isotopes. Unimolecular dissociation is observed mass spectrometrically at an extremely low energy fluence, with no evidence of an energy fluence or intensity threshold. The dissociation yield increases nearly linearly with increasing energy fluence. At constant fluence the dissociation yield is independent of contact time between the radiation field and the molecule, indicating that the decomposition is driven by laser energy fluence and not laser intensity. The oxygen and uranium isotope selectivities measured in these experiments are nearly those predicted by the ratio of the linear absorption cross sections for the respective isotopes. Thus, essentially complete selectivity is observed for oxygen isotopes, while a selectivity of only about 1.25 is measured for the uranium isotopes. A model presented to describe these results is based on rapid intramolecular vibrational energy flow from the pumped mode into a limited number of closely coupled modes.

  2. The Capture of Jupiter Trojans

    Science.gov (United States)

    Morbidelli, A.; Nesvorny, D.; Vokrouhlicky, D.

    2013-09-01

    The origin of Jupiter Trojans remained mysterious for decades. Particularly, it was difficult to explain the excitation of the inclinations of the Trojan population [1]. In 2005, Morbidelli et al. [2] proposed a scenario of capture from the trans-Neptunian disk, in the framework of the so-called "Nice model" [3,4]. This scenario explained in a natural way the observed orbital distribution of Trojans. The Nice model, however, evolved in the years, in order to satisfy an increasingly large number of constraints. It now appears that the dynamical evolution of the giant planets was different from that envisioned in [2]. Here, we assess again the process of capture of Trojans within this new evolution. We show that (6-8)×10 - 7 of the original trans-Neptunian planetesimals are captured in the Trojan region, with an orbital distribution consistent with the one observed. Relative to [2], the new capture mechanism has the potential of explaining the asymmetry between the L4 and L5 populations. Moreover, the resulting population of Trojans is consistent with that of the Irregular Satellites of Jupiter, which are captured in the same process; a few bodies from the main asteroid belt could also be captured in the Trojan cloud.

  3. Infrared Ion Spectroscopy at Felix: Applications in Peptide Dissociation and Analytical Chemistry

    Science.gov (United States)

    Oomens, Jos

    2016-06-01

    Infrared free electron lasers such as those in Paris, Berlin and Nijmegen have been at the forefront of the development of infrared ion spectroscopy. In this contribution, I will give an overview of new developments in IR spectroscopy of stored ions at the FELIX Laboratory. In particular, I will focus on recent developments made possible by the coupling of a new commercial ion trap mass spectrometer to the FELIX beamline. The possibility to record IR spectra of mass-selected molecular ions and their reaction products has in recent years shed new light on our understanding of collision induced dissociation (CID) reactions of protonated peptides in mass spectrometry (MS). We now show that it is possible to record IR spectra for the products of electron transfer dissociation (ETD) reactions [M + nH]n+ + A- → [M + nH](n-1)+ + A → {dissociation of analyte} These reactions are now widely used in novel MS-based protein sequencing strategies, but involve complex radical chemistry. The spectroscopic results allow stringent verification of computationally predicted product structures and hence reaction mechanisms and H-atom migration. The sensitivity and high dynamic range of a commercial mass spectrometer also allows us to apply infrared ion spectroscopy to analytes in complex "real-life" mixtures. The ability to record IR spectra with the sensitivity of mass-spectrometric detection is unrivalled in analytical sciences and is particularly useful in the identification of small (biological) molecules, such as in metabolomics. We report preliminary results of a pilot study on the spectroscopic identification of small metabolites in urine and plasma samples.

  4. Formation of Benzyl Carbanion in Collision-Induced Dissociation of Deprotonated Phenylalanine Homologues.

    Science.gov (United States)

    Sekimoto, Kanako; Matsuda, Natsuki; Takayama, Mitsuo

    2014-01-01

    The fragmentation behavior of deprotonated L-phenylalanine (Phe) and its homologues including L-homophenylalanine (HPA) and L-phenylglycine (PG) was investigated using collision-induced dissociation mass spectrometry coupled with a negative ion atmospheric pressure corona discharge ionization (APCDI) technique. The deprotonated molecules [M-H](-) fragmented to lose unique neutral species, e.g., the loss of NH3, CO2, toluene and iminoglycine for [Phe-H](-); styrene and ethenamine/CO2 for [HPA-H](-); and CO2 for [PG-H](-). All of the fragmentations observed are attributable to the formation of intermediates and/or product ions which include benzyl carbanions having resonance-stabilized structures. The carbanions are formed via proton rearrangement through a transition state or via a simple dissociation reaction. These results suggest that the principal factor governing the fragmentation behavior of deprotonated Phe homologues is the stability of the intermediate and/or product ion structures.

  5. Dissociated incretin response to oral glucose at 1 year after restrictive vs. malabsorptive bariatric surgery

    DEFF Research Database (Denmark)

    Guldstrand, M; Ahrén, B; Näslund, E;

    2009-01-01

    (JIB, n = 5) was performed in 12 women, aged 26-39 years, with severe obesity [body mass index (BMI) 46.6 +/- 2.3 kg/m(2)]. After 1 year, 75 g glucose was administered and plasma levels of glucose, insulin, GIP and GLP-1 were determined regularly during the following 2 h. RESULTS: At 1 year after......AIM: Compare the response to oral glucose of the two incretin hormones, glucose-dependent insulinotropic polypeptide (GIP) and glucagon-like peptide-1 (GLP-1) at 1 year after restrictive vs. malabsorptive bariatric surgery. METHODS: Vertical banded gastroplasty (VBG, n = 7) or jejunoileal bypass...... = 0.007). CONCLUSIONS: We conclude that at 1 year after bariatric surgery, the two incretins show dissociated responses in that the GIP secretion is higher after VBG whereas GLP-1 secretion is higher after JIB. This dissociated incretin response is independent from reduction in body weight, glucose...

  6. Phosphorylation of the centrosomal protein, Cep169, by Cdk1 promotes its dissociation from centrosomes in mitosis.

    Science.gov (United States)

    Mori, Yusuke; Inoue, Yoko; Taniyama, Yuki; Tanaka, Sayori; Terada, Yasuhiko

    2015-12-25

    Cep169 is a centrosomal protein conserved among vertebrates. In our previous reports, we showed that mammalian Cep169 interacts and collaborates with CDK5RAP2 to regulate microtubule (MT) dynamics and stabilization. Although Cep169 is required for MT regulation, its precise cellular function remains largely elusive. Here we show that Cep169 associates with centrosomes during interphase, but dissociates from these structures from the onset of mitosis, although CDK5RAP2 (Cep215) is continuously located at the centrosomes throughout cell cycle. Interestingly, treatment with purvalanol A, a Cdk1 inhibitor, nearly completely blocked the dissociation of Cep169 from centrosomes during mitosis. In addition, mass spectrometry analyses identified 7 phosphorylated residues of Cep169 corresponding to consensus phosphorylation sequence for Cdk1. These data suggest that the dissociation of Cep169 from centrosomes is controlled by Cdk1/Cyclin B during mitosis, and that Cep169 might regulate MT dynamics of mitotic spindle.

  7. Multiphoton dissociation and ionization of nickelocene

    Science.gov (United States)

    Leutwyler, Samuel; Even, Uzi; Jortner, Joshua

    1981-01-01

    In this paper we report the results of an experimental study of collision-free molecular multiphoton dissociation (MPD) and molecular multiphoton ionization (MPI) of nickelocene (NiC 10H 10), induced by the light of a tunable dye laser in the wavelength region 3750-5200 A. The spectral dependence of the ion signal reveals a multitude of narrow (fwhm from <0.5 cm -1 to 1.5 cm -1) intense peaks superimposed on a very weak background (relative amplitude ratio for peaks/background ≈ 10 3). The sharp resonances in the ion signal are attributed, on the basis of spectroscopic analysis, to two-photon resonant three-photon ionization of Ni(I) and to one-photon resonant three-photon ionization of Ni(I), the Ni(I) being produced by MPD of nickelocene. The ion signal in the spectral range 3750-3950 A reveals enhanced continuous background due to MPI of nickelocene. This ion signal spectra, together with studies of the intensity dependence of the overall (nickelocene MPD) - (Ni(I) MPI) processes, as well as the (nickelocene molecular MPI) reaction, reveal four reactive processes. (a) Two-photon molecular MPI for hω ⩾ 3.10 eV photons. (b) Three-photon molecular MPI for hω = 3.10-2.10 eV. (c) Two-photon MPD at hω ⩾ 2.86 eV. (d) Three-photon MPD for hω = 2.8-1.9 eV. The overall dissociation energy of nickelocene (Nicp 2) to give Ni + 2cp was determined to be 5.76 ± 0.60 eV and the two-photon ionization potential of this molecule is 6.29 ± 0.015 eV. Our results provide dynamic evidence concerning a simultaneous "explosive" photodissociation mechanism of Nicp 2 by process (c) and for the dominating role of the dissociative channel, characterized by a branching ratio of ⩾50 in favor of predissociation over autoionization, for process (c) at 6.3-6.6 eV. The MPD processes (c) and (d) are expected to exhibit intramolecular erosion of phase coherence effects. Processes (c) and (d) are of high efficiency ≈0.01 ions/molecule at saturation exhibited at laser power of ≈ 10

  8. Capture and Decay of Electroweak WIMPonium

    CERN Document Server

    Asadi, Pouya; Fitzpatrick, Patrick J; Krupczak, Emmett; Slatyer, Tracy R

    2016-01-01

    The spectrum of Weakly-Interacting-Massive-Particle (WIMP) dark matter generically possesses bound states when the WIMP mass becomes sufficiently large relative to the mass of the electroweak gauge bosons. The presence of these bound states enhances the annihilation rate via resonances in the Sommerfeld enhancement, but they can also be produced directly with the emission of a low-energy photon. In this work we compute the rate for SU(2) triplet dark matter (the wino) to bind into WIMPonium -- which is possible via single-photon emission for wino masses above 5 TeV for relative velocity v < O(10^{-2}) -- and study the subsequent decays of these bound states. We present results with applications beyond the wino case, e.g. for dark matter inhabiting a nonabelian dark sector; these include analytic capture and transition rates for general dark sectors in the limit of vanishing force carrier mass, efficient numerical routines for calculating positive and negative-energy eigenstates of a Hamiltonian containing ...

  9. Description and control of dissociation channels in gas-phase protein complexes

    Science.gov (United States)

    Thachuk, Mark; Fegan, Sarah K.; Raheem, Nigare

    2016-08-01

    Using molecular dynamics simulations of a coarse-grained model of the charged apo-hemoglobin protein complex, this work expands upon our initial report [S. K. Fegan and M. Thachuk, J. Am. Soc. Mass Spectrom. 25, 722-728 (2014)] about control of dissociation channels in the gas phase using specially designed charge tags. Employing a charge hopping algorithm and a range of temperatures, a variety of dissociation channels are found for activated gas-phase protein complexes. At low temperatures, a single monomer unfolds and becomes charge enriched. At higher temperatures, two additional channels open: (i) two monomers unfold and charge enrich and (ii) two monomers compete for unfolding with one eventually dominating and the other reattaching to the complex. At even higher temperatures, other more complex dissociation channels open with three or more monomers competing for unfolding. A model charge tag with five sites is specially designed to either attract or exclude charges. By attaching this tag to the N-terminus of specific monomers, the unfolding of those monomers can be decidedly enhanced or suppressed. In other words, using charge tags to direct the motion of charges in a protein complex provides a mechanism for controlling dissociation. This technique could be used in mass spectrometry experiments to direct forces at specific attachment points in a protein complex, and hence increase the diversity of product channels available for quantitative analysis. In turn, this could provide insight into the function of the protein complex in its native biological environment. From a dynamics perspective, this system provides an interesting example of cooperative behaviour involving motions with differing time scales.

  10. Fragmentation energetics for angiotensin II and its analogs from time- and energy-resolved surface-induced dissociation studies

    Science.gov (United States)

    Laskin, Julia; Bailey, Thomas H.; Futrell, Jean H.

    2004-05-01

    Surface-induced dissociation (SID) of four model peptides: DRVYIHPF, RVYIHPF, RVYIHAF, and RVYIHDF was studied using a novel Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially configured for SID experiments. The energetics and dynamics of peptide fragmentation were deduced by modeling the time- and energy-resolved survival curves for each precursor ion using an RRKM based approach developed in our laboratory. Accurate dissociation parameters can be obtained from these experiments because collision-energy-resolved SID data are very sensitive to both the energetics and dynamics of dissociation. We found that transition from selective to non-selective fragmentation as ion kinetic energy is increased is associated with a substantial (ca. 0.5 eV) increase in the dissociation energy and a 3-4 orders of magnitude increase in the pre-exponential factor. Dissociation thresholds for angiotensin analogs derived from the experimental data are as follows: 1.62 eV for RVYIHAF and RVYIHPF, 1.14 eV for RVYIHDF and 1.13 eV for DRVYIHPF. Pre-exponential factors of 8.2×1011, 7.2×1012, 3.1×108, and 5.0×107 s-1 were obtained for RVYIHPF, RVYIHAF, RVYIHDF, and DRVYIHPF, respectively. Contribution from shattering to the total decomposition of the precursor ion increases for kinetically hindered fragmentation. The largest contribution is observed for a peptide ion that has the largest negative reaction entropy--DRVYIHPF.

  11. Hypotropic Dissociated Vertical Deviation; a Case Report

    Directory of Open Access Journals (Sweden)

    Zhale Rajavi

    2013-01-01

    Full Text Available Purpose: To report the clinical features of a rare case of hypotropic dissociated vertical deviation (DVD. Case report: A 25-year-old female was referred with unilateral esotropia, hypotropia and slow variable downward drift in her left eye. She had history of esotropia since she had been 3-4 months of age. Best corrected visual acuity was 20/20 in her right eye and 20/40 in the left one when hyperopia was corrected. She underwent bimedial rectus muscle recession of 5.25mm for 45 prism diopters (PDs of esotropia. She was orthophoric 3 months after surgery and no further operation was planned for correction of the hypotropic DVD. Conclusion: This rare case of hypotropic DVD showed only mild amblyopia in her non-fixating eye. The etiology was most probably acquired considering hyperopia as a sign of early onset accommodative esotropia.

  12. Thermal dissociation and unfolding of insulin

    DEFF Research Database (Denmark)

    Huus, Kasper; Havelund, Svend; Olsen, Helle B;

    2005-01-01

    dimeric at room temperature, unfolded at approximately 70 degrees C. The two monomeric insulin mutants Asp(B28) and Asp(B9),Glu(B27) unfolded at higher temperatures, but with enthalpies of unfolding that were approximately 30% smaller. Small amounts of zinc caused a biphasic thermal denaturation pattern...... of insulin. The biphasic denaturation is caused by a redistribution of zinc ions during the heating process and results in two distinct transitions with T(m)'s of approximately 70 and approximately 87 degrees C corresponding to monomer/dimer and hexamer, respectively. At high zinc concentrations (>or=5 Zn(2...... denaturants where it has been shown that monomer unfolding takes place at much higher denaturant concentrations than the dissociation of higher oligomers [Ahmad, A., et al. (2004) J. Biol. Chem. 279, 14999-15013]....

  13. Coulomb dissociation of light unstable nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Kido, Toshihiko [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Yabana, Kazuhiro; Suzuki, Yoshiyuki

    1997-05-01

    The aim of this study is that a simulation method applicable to the atomic nucleus with neutron halo structure developed till now is applied to a wider range unstable nucleus containing proton excess nucleus to also attribute understanding of nuclear reaction with interest in astronomical nuclear reaction. The proton dissociation energy in {sup 8}B nucleus is small value of 138 eV, which is thought to have a structure of proton at the most outer shell bound much weakly by core nucleus and spread in thinner thickness. For the coulomb excitation of such weak bound system, quantum theoretical and non-perturbational treatment is important. Therefore, 3-dimensional time-dependent Schroedinger equation on relative wave function of the core nucleus {sup 7}Be and halo proton p will be dissolved in time space and will execute a time developmental simulation. (G.K.)

  14. Dissociative Disorders in Children: Behavioral Profiles and Problems.

    Science.gov (United States)

    Putnam, Frank W.

    1993-01-01

    Clinical research has established a connection between childhood trauma and the development of dissociative disorders in adults. Pathological dissociation produces a range of symptoms and behaviors such as amnesias, rapid shifts in mood and behavior, and auditory and visual hallucinations. Many of these symptoms are misdiagnosed as attention,…

  15. Molecular dynamics - The dissociation of H2 by He.

    Science.gov (United States)

    Brown, N. J.; Munn, R. J.

    1972-01-01

    The dissociation of molecular hydrogen by helium was studied at 5500 deg K using the quasiclassical approximation. The temperature-dependent reaction cross sections were very dependent on the initial quantum states of the molecule. A rate constant was estimated for the dissociation reaction, and agreement between theory and experiment was satisfactory.

  16. Switch Function and Pathological Dissociation in Acute Psychiatric Inpatients.

    Directory of Open Access Journals (Sweden)

    Chui-De Chiu

    Full Text Available Swift switching, along with atypical ability on updating and inhibition, has been found in non-clinical dissociators. However, whether swift switching is a cognitive endophenotype that intertwines with traumatisation and pathological dissociation remains unknown. Unspecified acute psychiatric patients were recruited to verify a hypothesis that pathological dissociation is associated with swift switching and traumatisation may explain this relationship. Behavioural measures of intellectual function and three executive functions including updating, switching and inhibition were administered, together with standardised scales to evaluate pathological dissociation and traumatisation. Our results showed superior control ability on switching and updating in inpatients who displayed more symptoms of pathological dissociation. When all three executive functions were entered as predictors, in addition to intellectual quotient and demographic variables to regress upon pathological dissociation, switching rather than updating remained the significant predictor. Importantly, the relationship between pathological dissociation and switching became non-significant when the effect of childhood trauma were controlled. The results support a trauma-related switching hypothesis which postulates swift switching as a cognitive endophenotype of pathological dissociation; traumatisation in childhood may explain the importance of swift switching.

  17. Multiple Personality and the Pathological Dissociation of Self.

    Science.gov (United States)

    Price, Reese E.

    This paper considers the condition of Multiple Personality Disorder (MPD), which is defined as a separation of alternating personalities by rigid boundaries and amnestic barriers. It is proposed that MPD represents the end of a continuum of a defensive dissociation of the self that can result when a child employs a dissociative splitting of self…

  18. Early Indicators of Pathological Dissociation in Sexually Abused Children.

    Science.gov (United States)

    McElroy, Linda Provus

    1992-01-01

    This paper reviews factors in the professional neglect of multiple personality disorder (MPD) and sexual abuse in childhood, as well as recent diagnostic developments in childhood dissociative disorders. The identification of subtle dissociative symptomatology in children is illustrated, and two case examples are presented. (Author)

  19. CO product distribution in the unimolecular dissociation of HCO

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The unimolecular dissociation of HCO ground state was investigated with the time-dependent full-quantum symplectic propagation based on the newest potential energy surface of the system. Calculated energy and widths of HCO resonance states agree well with those in the literature. CO product distribution was systematically investigated. A simple model was presented to interpret the rovibrational distributions in HCO dissociation.

  20. Dissociative electron attachment and electron-impact resonant dissociation of vibrationally excited O2 molecules

    CERN Document Server

    Laporta, V; Tennyson, J

    2015-01-01

    State-by-state cross sections for dissociative electron attachment and electron-impact dissociation for molecular oxygen are computed using ab initio resonance curves calculated with the R-matrix method. When O2 is in its vibrational ground state, the main contribution for both processes comes from the $^2\\Pi_u$ resonance state of $O_2^-$ but with a significant contribution from the $^4\\Sigma$ resonant state. Vibrational excitation leads to an increased contribution from the low-lying $^2\\Pi_{g}$ resonance, greatly increased cross sections for both processes, and the threshold moving to lower energies. These results provide important input for models of O2-containing plasmas in nonequilibrium conditions.

  1. Dissociation of deuteron, 6He and 11Be from Coulomb dissociation reaction cross-section

    Indian Academy of Sciences (India)

    Ramendra Nath Majumdar

    2008-05-01

    The fragmentation of deuteron, 6He and 11Be have been studied during interaction with the 208Pb nucleus at various projectile energies. The Coulomb dissociation cross-sections and the momentum distribution of the break-up fragments have been analysed within the framework of the direct fragmentation model. The post-acceleration effect of deuteron during break-up and the halo structures of both the 6He and 11Be have been investigated.

  2. Kinetics of the urea-induced dissociation of human plasma alpha-2-macroglobulin as measured by small-angle neutron scattering

    DEFF Research Database (Denmark)

    Sjöberg, B.; Pap, S.; Järnberg, S.-E.;

    1991-01-01

    The kinetics of the urea-induced dissociation of human plasma alpha-2-macroglobulin into two half-molecular fragments was investigated at 21.0-degrees-C by using small-angle neutron scattering. The relative change in molecular mass that occurs upon dissociation was monitored by recording...... with a drastic change in structure. This is directly shown by the radius of gyration, which increases from about 7.4 nm immediately after the addition of urea up to about 9.4 nm when the protein is fully dissociated. A structural analysis shows that the scattering curve of urea-dissociated alpha-2-macroglobulin...... the forward scattering of neutrons as a function of time. All these kinetic data can be explained by a reaction that is first-order with respect to the concentration of undissociated alpha-2-macroglobulin. The velocity constant is a function of urea concentration and it varies within wide limits. For instance...

  3. Infrared Multiple Photon Dissociation Spectroscopy Of Metal Cluster-Adducts

    Science.gov (United States)

    Cox, D. M.; Kaldor, A.; Zakin, M. R.

    1987-01-01

    Recent development of the laser vaporization technique combined with mass-selective detection has made possible new studies of the fundamental chemical and physical properties of unsupported transition metal clusters as a function of the number of constituent atoms. A variety of experimental techniques have been developed in our laboratory to measure ionization threshold energies, magnetic moments, and gas phase reactivity of clusters. However, studies have so far been unable to determine the cluster structure or the chemical state of chemisorbed species on gas phase clusters. The application of infrared multiple photon dissociation IRMPD to obtain the IR absorption properties of metal cluster-adsorbate species in a molecular beam is described here. Specifically using a high power, pulsed CO2 laser as the infrared source, the IRMPD spectrum for methanol chemisorbed on small iron clusters is measured as a function of the number of both iron atoms and methanols in the complex for different methanol isotopes. Both the feasibility and potential utility of IRMPD for characterizing metal cluster-adsorbate interactions are demonstrated. The method is generally applicable to any cluster or cluster-adsorbate system dependent only upon the availability of appropriate high power infrared sources.

  4. A structural view of the dissociation of Escherichia coli tryptophanase.

    Science.gov (United States)

    Green, Keren; Qasim, Nasrin; Gdaelvsky, Garik; Kogan, Anna; Goldgur, Yehuda; Parola, Abraham H; Lotan, Ofra; Almog, Orna

    2015-12-01

    Tryptophanase (Trpase) is a pyridoxal 5'-phosphate (PLP)-dependent homotetrameric enzyme which catalyzes the degradation of L-tryptophan. Trpase is also known for its cold lability, which is a reversible loss of activity at low temperature (2°C) that is associated with the dissociation of the tetramer. Escherichia coli Trpase dissociates into dimers, while Proteus vulgaris Trpase dissociates into monomers. As such, this enzyme is an appropriate model to study the protein-protein interactions and quaternary structure of proteins. The aim of the present study was to understand the differences in the mode of dissociation between the E. coli and P. vulgaris Trpases. In particular, the effect of mutations along the molecular axes of homotetrameric Trpase on its dissociation was studied. To answer this question, two groups of mutants of the E. coli enzyme were created to resemble the amino-acid sequence of P. vulgaris Trpase. In one group, residues 15 and 59 that are located along the molecular axis R (also termed the noncatalytic axis) were mutated. The second group included a mutation at position 298, located along the molecular axis Q (also termed the catalytic axis). Replacing amino-acid residues along the R axis resulted in dissociation of the tetramers into monomers, similar to the P. vulgaris Trpase, while replacing amino-acid residues along the Q axis resulted in dissociation into dimers only. The crystal structure of the V59M mutant of E. coli Trpase was also determined in its apo form and was found to be similar to that of the wild type. This study suggests that in E. coli Trpase hydrophobic interactions along the R axis hold the two monomers together more strongly, preventing the dissociation of the dimers into monomers. Mutation of position 298 along the Q axis to a charged residue resulted in tetramers that are less susceptible to dissociation. Thus, the results indicate that dissociation of E. coli Trpase into dimers occurs along the molecular Q axis.

  5. Non-dissociative and dissociative ionisation of H sub 2 by 50-2000 keV antiprotons

    Energy Technology Data Exchange (ETDEWEB)

    Andersen, L.H.; Hvelplund, P.; Knudsen, H.; Moeller, S.P.; Pedersen, J.O.P.; Tang-Petersen, S.; Uggerhoej, E. (Aarhus Univ. (Denmark). Inst. of Physics); Elsener, K. (European Organization for Nuclear Research, Geneva (Switzerland)); Morenzoni, E. (Paul Scherrer Inst. (PSI), Villigen (Switzerland))

    1990-08-14

    A beam of antiprotons with energies between 50 keV and 2 MeV has been used for measurements of non-dissociative ionisation and dissociative ionisation cross sections of H{sub 2}. The results are compared with cross sections for equivelocity protons and electrons, and the role of interference effects in two-electron processes is discussed. (author).

  6. Thermal-neutron capture for A=26-35

    Energy Technology Data Exchange (ETDEWEB)

    Chunmei, Z.; Firestone, R.B.

    2001-06-01

    The prompt gamma-ray data of thermal- neutron captures fornuclear mass number A=26-35 had been evaluated and published in "ATOMICDATA AND NUCLEAR DATA TABLES, 26, 511 (1981)". Since that time themanyexperimental data of the thermal-neutron captures have been measuredand published. The update of the evaluated prompt gamma-ray data is verynecessary for use in PGAA of high-resolution analytical prompt gamma-rayspectroscopy. Besides, the evaluation is also very needed in theEvaluated Nuclear Structure Data File, ENSDF, because there are no promptgamma-ray data in ENSDF. The levels, prompt gamma-rays and decay schemesof thermal-neutron captures for nuclides (26Mg, 27Al, 28Si, 29Si, 30Si,31P, 32S, 33S, 34S, and 35Cl) with nuclear mass number A=26-35 have beenevaluated on the basis of all experimental data. The normalizationfactors, from which absolute prompt gamma-ray intensity can be obtained,and necessary comments are given in the text. The ENSDF format has beenadopted in this evaluation. The physical check (intensity balance andenergy balance) of evaluated thermal-neutron capture data has been done.The evaluated data have been put into Evaluated Nuclear Structure DataFile, ENSDF. This evaluation may be considered as an update of the promptgamma-ray from thermal-neutron capture data tables as published in"ATOMIC DATA AND NUCLEAR DATA TABLES, 26, 511 (1981)".

  7. Thermal-neutron capture for A=36-44

    Energy Technology Data Exchange (ETDEWEB)

    Chunmei, Z.; Firestone, R.B.

    2003-01-01

    The prompt gamma-ray data of thermal- neutron captures fornuclear mass number A=26-35 had been evaluated and published in "ATOMICDATA AND NUCLEAR DATA TABLES, 26, 511 (1981)". Since that time the manyexperimental data of the thermal-neutron captures have been measured andpublished. The update of the evaluated prompt gamma-ray data is verynecessary for use in PGAA of high-resolution analytical prompt gamma-rayspectroscopy. Besides, the evaluation is also very needed in theEvaluated Nuclear Structure Data File, ENSDF, because there are no promptgamma-ray data in ENSDF. The levels, prompt gamma-rays and decay schemesof thermal-neutron captures fornuclides (26Mg, 27Al, 28Si, 29Si, 30Si,31P, 32S, 33S, 34S, and 35Cl) with nuclear mass number A=26-35 have beenevaluated on the basis of all experimental data. The normalizationfactors, from which absolute prompt gamma-ray intensity can be obtained,and necessary comments are given in the text. The ENSDF format has beenadopted in this evaluation. The physical check (intensity balance andenergy balance) of evaluated thermal-neutron capture data has been done.The evaluated data have been put into Evaluated Nuclear Structure DataFile, ENSDF. This evaluation may be considered as an update of the promptgamma-ray from thermal-neutron capture data tables as published in"ATOMIC DATA AND NUCLEAR DATA TABLES, 26, 511 (1981)".

  8. Dissociations of the night: individual differences in sleep-related experiences and their relation to dissociation and schizotypy.

    Science.gov (United States)

    Watson, D

    2001-11-01

    The author examined the associations among sleep-related experiences (e.g., hypnagogic hallucinations, nightmares, waking dreams, and lucid dreams), dissociation, schizotypy, and the Big Five personality traits in 2 large student samples. Confirmatory factor analyses indicated that (a) dissociation and schizotypy are strongly correlated-yet distinguishable-constructs, and (b) the differentiation between them can be enhanced by eliminating detachment/depersonalization items from the dissociation scales. A general measure of sleep experiences was substantially correlated with both schizotypy and dissociation (especially the latter) and more weakly related to the Big Five. In contrast, an index of lucid dreaming was weakly related to all of these other scales. These results suggest that measures of dissociation, schizotypy, and sleep-related experiences all define a common domain characterized by unusual cognitions and perceptions.

  9. Modelling of cyclopentane promoted gas hydrate systems for carbon dioxide capture processes

    DEFF Research Database (Denmark)

    Herslund, Peter Jørgensen; Thomsen, Kaj; Abildskov, Jens

    2014-01-01

    amount of reliable LLE data exist for the binary system of water and cyclopentane. Additional water-in-oil data in particular are desired for this system.An unpromoted hydrate-based capture process, operating isothermally at a temperature of 280. K is simulated. The minimum pressure requirement...... behaviour and hydrate phase behaviour is presented. Cycloalkanes ranging from cyclopropane to cyclohexane, represents a challenge for CPA, both in the description of the pure component densities and for liquid-liquid equilibrium (LLE) in the binary systems with water. It is concluded that an insufficient...... of the first stage is estimated to be 24.9. MPa. Applying three consecutive hydrate formation/dissociation stages (three-stage capture process), a carbon dioxide-rich product (97. mol%) may be delivered at a temperature of 280. K and a pressure of 3.65. MPa.A second capture process, where cyclopentane...

  10. Neutron Capture Reactions on Fe and Ni Isotopes for the Astrophysical s-process

    CERN Document Server

    Lederer, C; Massimi, C; Žugec, P; Barbagallo, M; Colonna, N; Domingo-Pardo, C; Guerrero, C; Gunsing, F; Käppeler, F; Tain, J L; Altstadt, S; Andrzejewski, J; Audouin, L; Bécares, V; Bečvář, F; Belloni, F; Berthoumieux, E; Billowes, J; Boccone, V; Bosnar, D; Brugger, M; Calviani, M; Calviño, F; Cano-Ott, D; Carrapiço, C; Cerutti, F; Chiaveri, E; Chin, M; Cortés, G; Cortés-Giraldo, M A; Diakaki, M; Duran, I; Dressler, R; Dzysiuk, N; Eleftheriadis, C; Ferrari, A; Fraval, K; Ganesan, S; García, A R; Gómez-Hornillos, M B; Gonçalves, I F; González-Romero, E; Griesmayer, E; Gurusamy, P; Jenkins, D G; Jericha, E; Kadi, Y; Karadimos, D; Kivel, N; Koehler, P; Kokkoris, M; Korschinek, G; Krtička, M; Kroll, J; Langer, C; Leeb, H; Leong, L S; Losito, R; Manousos, A; Marganiec, J; Martínez, T; Mastinu, P F; Mastromarco, M; Meaze, M; Mendoza, E; Mengoni, A; Milazzo, P M; Mingrone, F; Mirea, M; Mondelaers, W; Paradela, C; Pavlik, A; Perkowski, J; Pignatari, M; Plompen, A; Praena, J; Quesada, J M; Rauscher, T; Reifarth, R; Riego, A; Roman, F; Rubbia, C; Sarmento, R; Schillebeeckx, P; Schmidt, S; Schumann, D; Tagliente, G; Tarrío, D; Tassan-Got, L; Tsinganis, A; Valenta, S; Vannini, G; Variale, V; Vaz, P; Ventura, A; Versaci, R; Vermeulen, M J; Vlachoudis, V; Vlastou, R; Wallner, A; Ware, T; Weigand, M; Weiß, C; Wright, T J

    2014-01-01

    Neutron capture cross sections in the keV neutron energy region are the key nuclear physics input to study the astrophysical slow neutron capture process. In the past years, a series of neutron capture cross section measurements has been performed at the neutron time-of-flight facility n\\_TOF at CERN focussing on the Fe/Ni mass region. Recent results and future developments in the neutron time-of-flight technique are discussed.

  11. Capture and decay of electroweak WIMPonium

    Science.gov (United States)

    Asadi, Pouya; Baumgart, Matthew; Fitzpatrick, Patrick J.; Krupczak, Emmett; Slatyer, Tracy R.

    2017-02-01

    The spectrum of Weakly-Interacting-Massive-Particle (WIMP) dark matter generically possesses bound states when the WIMP mass becomes sufficiently large relative to the mass of the electroweak gauge bosons. The presence of these bound states enhances the annihilation rate via resonances in the Sommerfeld enhancement, but they can also be produced directly with the emission of a low-energy photon. In this work we compute the rate for SU(2) triplet dark matter (the wino) to bind into WIMPonium—which is possible via single-photon emission for wino masses above 5 TeV for relative velocity v negative-energy eigenstates of a Hamiltonian containing interactions with both massive and massless force carriers, and a study of the scaling of bound state formation in the short-range Hulth&apos{e}n potential. In the specific case of the wino, we find that the rate for bound state formation is suppressed relative to direct annihilation, and so provides only a small correction to the overall annihilation rate. The soft photons radiated by the capture process and by bound state transitions could permit measurement of the dark matter's quantum numbers; for wino-like dark matter, such photons are rare, but might be observable by a future ground-based gamma-ray telescope combining large effective area and a low energy threshold.

  12. Optic capture pars plana lensectomy

    Directory of Open Access Journals (Sweden)

    Lee JE

    2012-10-01

    Full Text Available Joo Eun LeeDepartment of Ophthalmology, Inje University College of Medicine, Busan, South KoreaObjective: To describe an optic capture pars plana lensectomy technique.Methods: After core vitrectomy, pars plana lensectomy is performed with preservation of the anterior capsule. Capsulorhexis is performed on the preserved anterior capsule through a 2.8 mm clear corneal incision. An intraocular lens (IOL is placed in the ciliary sulcus, and then the optic of the IOL is pushed back to the vitreous cavity so that the optic is captured by the surrounding capsulorhexis margin.Results: The captured IOL-capsule diaphragm remained stable during air–fluid exchange and prevented air prolapse to the anterior chamber. IOL stability and a clear visual axis were preserved during the follow-up period.Conclusion: With this modified pars plana lensectomy technique, stable IOL position and clear visual axis can be maintained when a pars plana approach is needed during combined cataract and vitreoretinal surgery.Keywords: lensectomy, optic capture, pars plana lensectomy, vitrectomy

  13. 49 CFR 563.9 - Data capture.

    Science.gov (United States)

    2010-10-01

    ... frontal or side air bag deployment crash, capture and record the current deployment data, up to two events... 49 Transportation 6 2010-10-01 2010-10-01 false Data capture. 563.9 Section 563.9 Transportation..., DEPARTMENT OF TRANSPORTATION EVENT DATA RECORDERS § 563.9 Data capture. The EDR must capture and record...

  14. Observations of Photo-Dissociation Reaction of TEOS Molecules on Silicon Clean Surfaces

    Science.gov (United States)

    Yanagita, Hideaki; Uemura, Kazuhide; Yokotani, Atsushi; Kurosawa, Kou

    Tetraethoxysilane (TEOS : SiO4(C2H5)4) is widely used to fabricate silicon-dioxide insulator thin films in LSI device technologies. We have already reported that TEOS is photo-dissociated to result in oxide layer deposition at room temperature by a vacuum ultraviolet excimer lamp (λ=172 nm). In this paper, we have observed the initial stages of oxide layer deposition on silicon clean surfaces with the scanning tunneling microscope (STM) and time-of-flight (TOF) mass spectrometer. An argon excimer lamp (λ=126 nm) is used for the photo-chemical vapor deposition (CVD). TEOS molecules have been dissociated to be SiO4(C2H5)n(n=1, 2, 3) groups on the clean surfaces. The 126 nm photons dissociate the molecules or radicals to Si-Om(m=1, 3, 4) after 2 min. Finally, the Si-Om adsorbed molecules and Si atoms in the substrate are re-arranged to be a disorder structure by the photons.

  15. Cosmic-ray-induced dissociation and reactions in warm interstellar ices

    CERN Document Server

    Kalvans, Juris

    2014-01-01

    Context. Cosmic ray particles that hit interstellar grains in dark molecular cores may induce whole-grain heating. The high temperature of a CR-heated grain allows energy barriers for bulk diffusion and reactions to be overcome. Additionally, ice molecules are destroyed by direct cosmic-ray induced dissociation. Aims. We provide a justified estimate of the significance of cosmic-ray induced surface-mantle diffusion, chemical reactions in ice, and dissociation of ice species in a star-forming interstellar cloud core. Methods. We considered a gas clump in a collapsing low-mass prestellar core and during the initial stages of protostellar envelope heating with a three-phase chemical kinetics model. The model includes a proper treatment of the stochastic aspect of whole-grain heating and new experimental data for dissociation. Results. We found that the cosmic-ray-induced effects are mostly limited to an increase in abundance for carbon-chain species. The effect on major species abundances is a few percentage poi...

  16. Competition Between Two Excitation-dissociation Channels for Molecular Ions

    Institute of Scientific and Technical Information of China (English)

    Li-kun Lai; Li-min Zhang; Mao-ping Yang; Dan-na Zhou

    2009-01-01

    When the molecular ions XYZ+ (XY2+) are excited simultaneously from an electronic state E0 into two higher electronic states Eα and Eβ with supervened dissociation or predisso-ciation, competition between the α and β excitation-dissociation channels occurs. A the-oretical model is provided to deal with the competition of the two excitation-dissociation channels with more than two kinds of ionic products for XYZ+ (XY2+). Supposing that the photo-excitation rates of two states Eα and Eβ are much less than their dissociation or prc-dissociation rates, a theoretical equation can be deduced to fit the measured data, which reflects the dependence of the product branching ratios on the intensity ratios of two excitation lasers. From the fitted parameters the excitation cross section ratios are obtained. In experiment, we studied the competition between two excitation-dissociation channels of CO2+. By measuring the dependence of the product branching ratio on the intensity ra-tio of two dissociation lasers and fitting the experiment data with the theoretical equation, excitation cross section ratios were deduced.

  17. Individually-personal features of patients with dissociative disorders

    Directory of Open Access Journals (Sweden)

    A. N. Stolyarenko

    2016-03-01

    Full Text Available Predisposed factors in the development of dissociative disorders remains a pressing question in the context of dissociative disorders establishing. Leading role in this aspect was given to the premorbid characteristics of patients. Aim: to study individually-personal features of patients with dissociative disorders and to establish premorbid characteristics and predisposed factors of the disease. Methods and results. 108 patients with dissociative disorders were examined on the basis of Public Health Institution «Regional clinical mental hospital» of the Zaporizhzhian regional council. The next methods of research were used: socio-demographic, medical history, follow-up, clinical-psychopathological, psychodiagnostic. Results. It has been established that patients with dissociative disorders were characterized by: female gender; the presence of accentuations of character in 94.44% of cases; the ratio of "clean" and amalgam of character accentuation 3:2; the prevalence of hysteroid (56.48%, labile (28.70% and epileptic (24.07% radicals in the personality structure of patients; domination hysteroid (38.71%, epileptoid (24.19% and labile (24.19% types among the "pure" character accentuation; the dominance of anxiety-hysterical (32.50%, hystero-excitable (30.00% and hystero-labile (30.00% types of accentuations. Men significantly frequently had balanced personality and "pure" schizoid-type personality accentuation. The study highlighted individually-personal features of patients with dissociative disorders, the prevailing premorbid characteristics of patients with dissociative disorders. The results of the study showed prevalence of the dissociative disorders in women. Conclusion. Question about the role of established premorbid characteristics and predisposed factors of the disease on the compliance to therapy in patients with dissociative disorders stays still open.

  18. Structure sensitivity of CO dissociation on Rh surfaces

    DEFF Research Database (Denmark)

    Mavrikakis, Manos; Baumer, M.; Freund, H.J.;

    2002-01-01

    Using periodic self-consistent density functional calculations it is shown that the barrier for CO dissociation is similar to120 kJ/mol lower on the stepped Rh(211) surface than on the close-packed Rh(111) surface. The stepped surface binds molecular CO and the dissociation products more strongly...... than the flat surface, but the effect is considerably weaker than the effect of surface structure on the dissociation barrier. Our findings are compared with available experimental data, and the consequences for CO activation in methanation and Fischer-Tropsch reactions are discussed....

  19. Dissociation of recombinant prion autocatalysis from infectivity.

    Science.gov (United States)

    Noble, Geoffrey P; Supattapone, Surachai

    2015-01-01

    Within the mammalian prion field, the existence of recombinant prion protein (PrP) conformers with self-replicating (ie. autocatalytic) activity in vitro but little to no infectious activity in vivo challenges a key prediction of the protein-only hypothesis of prion replication--that autocatalytic PrP conformers should be infectious. To understand this dissociation of autocatalysis from infectivity, we recently performed a structural and functional comparison between a highly infectious and non-infectious pair of autocatalytic recombinant PrP conformers derived from the same initial prion strain. (1) We identified restricted, C-terminal structural differences between these 2 conformers and provided evidence that these relatively subtle differences prevent the non-infectious conformer from templating the conversion of native PrP(C) substrates containing a glycosylphosphatidylinositol (GPI) anchor. (1) In this article we discuss a model, consistent with these findings, in which recombinant PrP, lacking post-translational modifications and associated folding constraints, is capable of adopting a wide variety of autocatalytic conformations. Only a subset of these recombinant conformers can be adopted by post-translationally modified native PrP(C), and this subset represents the recombinant conformers with high specific infectivity. We examine this model's implications for the generation of highly infectious recombinant prions and the protein-only hypothesis of prion replication.

  20. Visuomotor Dissociation in Cerebral Scaling of Size.

    Science.gov (United States)

    Potgieser, Adriaan R E; de Jong, Bauke M

    2016-01-01

    Estimating size and distance is crucial in effective visuomotor control. The concept of an internal coordinate system implies that visual and motor size parameters are scaled onto a common template. To dissociate perceptual and motor components in such scaling, we performed an fMRI experiment in which 16 right-handed subjects copied geometric figures while the result of drawing remained out of sight. Either the size of the example figure varied while maintaining a constant size of drawing (visual incongruity) or the size of the examples remained constant while subjects were instructed to make changes in size (motor incongruity). These incongruent were compared to congruent conditions. Statistical Parametric Mapping (SPM8) revealed brain activations related to size incongruity in the dorsolateral prefrontal and inferior parietal cortex, pre-SMA / anterior cingulate and anterior insula, dominant in the right hemisphere. This pattern represented simultaneous use of a 'resized' virtual template and actual picture information requiring spatial working memory, early-stage attention shifting and inhibitory control. Activations were strongest in motor incongruity while right pre-dorsal premotor activation specifically occurred in this condition. Visual incongruity additionally relied on a ventral visual pathway. Left ventral premotor activation occurred in all variably sized drawing while constant visuomotor size, compared to congruent size variation, uniquely activated the lateral occipital cortex additional to superior parietal regions. These results highlight size as a fundamental parameter in both general hand movement and movement guided by objects perceived in the context of surrounding 3D space.

  1. Visuomotor Dissociation in Cerebral Scaling of Size.

    Directory of Open Access Journals (Sweden)

    Adriaan R E Potgieser

    Full Text Available Estimating size and distance is crucial in effective visuomotor control. The concept of an internal coordinate system implies that visual and motor size parameters are scaled onto a common template. To dissociate perceptual and motor components in such scaling, we performed an fMRI experiment in which 16 right-handed subjects copied geometric figures while the result of drawing remained out of sight. Either the size of the example figure varied while maintaining a constant size of drawing (visual incongruity or the size of the examples remained constant while subjects were instructed to make changes in size (motor incongruity. These incongruent were compared to congruent conditions. Statistical Parametric Mapping (SPM8 revealed brain activations related to size incongruity in the dorsolateral prefrontal and inferior parietal cortex, pre-SMA / anterior cingulate and anterior insula, dominant in the right hemisphere. This pattern represented simultaneous use of a 'resized' virtual template and actual picture information requiring spatial working memory, early-stage attention shifting and inhibitory control. Activations were strongest in motor incongruity while right pre-dorsal premotor activation specifically occurred in this condition. Visual incongruity additionally relied on a ventral visual pathway. Left ventral premotor activation occurred in all variably sized drawing while constant visuomotor size, compared to congruent size variation, uniquely activated the lateral occipital cortex additional to superior parietal regions. These results highlight size as a fundamental parameter in both general hand movement and movement guided by objects perceived in the context of surrounding 3D space.

  2. Gas hydrate dissociation structures in submarine slopes

    Energy Technology Data Exchange (ETDEWEB)

    Gidley, I.; Grozic, J.L.H. [Calgary Univ., AB (Canada). Dept. of Civil Engineering

    2008-07-01

    Studies have suggested that gas hydrates may play a role in submarine slope failures. However, the mechanics surrounding such failures are poorly understood. This paper discussed experimental tests conducted on a small-scale physical model of submarine soils with hydrate inclusions. The laboratory tests investigated the effects of slope angle and depth of burial of the hydrate on gas escape structures and slope stability. Laponite was used to model the soils due to its ability to swell and produce a clear, colorless thixotropic gel when dispersed in water. An R-11 refrigerant was used to form hydrate layers and nodules. The aim of the experiment was to investigate the path of the fluid escape structures and the development of a subsequent slip plane caused by the dissociation of the R-11 hydrates. Slope angles of 5, 10, and 15 degrees were examined. Slopes were examined using high-resolution, high-speed imaging techniques. Hydrate placement and slope inclinations were varied in order to obtain stability data. Results of the study showed that slope angle influenced the direction of travel of the escaping gas, and that the depth of burial affected sensitivity to slope angle. Theoretical models developed from the experimental data have accurately mapped deformations and stress states during testing. Further research is being conducted to investigate the influence of the size, shape, and placement of the hydrates. 30 refs., 15 figs.

  3. State dissociation, human behavior, and consciousness.

    Science.gov (United States)

    Mahowald, Mark W; Cramer Bornemann, Michel A; Schenck, Carlos H

    2011-01-01

    Sleep is clearly not only a whole-brain or global phenomenon, but can also be a local phenomenon. This accounts for the fact that the primary states of being (wakefulness, NREM sleep, and REM sleep) are not necessarily mutually exclusive, and components of these states may appear in various combinations, with fascinating clinical consequences. Examples include: sleep inertia, narcolepsy, sleep paralysis, lucid dreaming, REM sleep behavior disorder, sleepwalking, sleep terrors, out-of-body experiences, and reports of alien abduction. The incomplete declaration of state likewise has implications for consciousness - which also has fluid boundaries. Fluctuations in the degree of consciousness are likely explained by abnormalities of a "spatial and temporal binding rhythm" which normally results in a unified conscious experience. Dysfunctional binding may play a role in anesthetic states, autism, schizophrenia, and neurodegenerative disorders. Further study of the broad spectrum of dissociated states of sleep and wakefulness that are closely linked with states of consciousness and unconsciousness by basic neuroscientists, clinicians, and members of the legal profession will provide scientific, clinical and therapeutic insights, with forensic implications.

  4. Gas-phase infrared multiple photon dissociation spectroscopy of isolated SF6- and SF5- anions.

    Science.gov (United States)

    Steill, Jeffrey D; Oomens, Jos; Eyler, John R; Compton, Robert N

    2008-12-28

    Resonantly enhanced multiple photon dissociation of gas-phase SF(6) (-) and SF(5) (-) is studied using tunable infrared light from the FELIX free electron laser. The photodissociation spectrum of the sulfur hexafluoride anion, producing SF(5) (-), is recorded over the spectral range of 250-1650 cm(-1). The infrared multiple photon dissociation cross section exhibits a strong, broad resonance enhancement at 675 cm(-1) in agreement with the calculated value of nu(3), one of the two IR-active fundamental vibrational modes predicted for the O(h)-symmetry ion. Much weaker absorption features are observed in the spectral region of 300-450 cm(-1) as well as at 580 cm(-1) that are not easily assigned to the other IR-active fundamental of SF(6) (-) since these resonances are observed at a much higher energy than the calculated values for the IR-active nu(4) mode. The potential role of binary combination bands is considered. Photodissociation from the sulfur pentafluoride anion produced only F(-), but photodetachment was also observed through SF(6) associative electron capture. The IR multiple photon dissociation spectrum of SF(5) (-) shows multiple resonances within the region of 400-900 cm(-1) and agreement with calculations is clear, including the observation of three fundamental frequencies: nu(1) at 780 cm(-1), nu(7) at 595 cm(-1), and nu(8) at 450 cm(-1). Comparisons of the measured frequencies with ab initio and density functional theory calculations confirm an SF(5) (-) anion of C(4v) symmetry. Similar comparisons for SF(6) (-) are not inconsistent with an anion of O(h) symmetry.

  5. Capturing near-Earth asteroids around Earth

    Science.gov (United States)

    Hasnain, Zaki; Lamb, Christopher A.; Ross, Shane D.

    2012-12-01

    The list of detected near-Earth asteroids (NEAs) is constantly growing. NEAs are likely targets for resources to support space industrialization, as they may be the least expensive source of certain needed raw materials. The limited supply of precious metals and semiconducting elements on Earth may be supplemented or even replaced by the reserves floating in the form of asteroids around the solar system. Precious metals make up a significant fraction NEAs by mass, and even one metallic asteroid of ˜1km size and fair enrichment in platinum-group metals would contain twice the tonnage of such metals already harvested on Earth. There are ˜1000 NEAs with a diameter of greater than 1 km. Capturing these asteroids around the Earth would expand the mining industry into an entirely new dimension. Having such resources within easy reach in Earth's orbit could provide an off-world environmentally friendly remedy for impending terrestrial shortages, especially given the need for raw materials in developing nations. In this paper, we develop and implement a conceptually simple algorithm to determine trajectory characteristics necessary to move NEAs into capture orbits around the Earth. Altered trajectories of asteroids are calculated using an ephemeris model. Only asteroids of eccentricity less than 0.1 have been studied and the model is restricted to the ecliptic plane for simplicity. We constrain the time of retrieval to be 10 years or less, based on considerations of the time to return on investment. For the heliocentric phase, constant acceleration is assumed. The acceleration required for transporting these asteroids from their undisturbed orbits to the sphere of influence of the Earth is the primary output, along with the impulse or acceleration necessary to effect capture to a bound orbit once the Earth's sphere of influence is reached. The initial guess for the constant acceleration is provided by a new estimation method, similar in spirit to Edelbaum's. Based on the

  6. On the dissociative electron attachment as a potential source of molecular hydrogen in irradiated liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Cobut, V.; Jay-Gerin, J.-P.; Frongillo, Y. [Sherbrooke Univ., PQ (Canada). Faculte de Medecine; Patau, J.P. [Toulouse-3 Univ., 31 (France)

    1996-02-01

    In the radiolysis of liquid water, different mechanisms for the formation of molecular hydrogen (H{sub 2}) are involved at different times after the initial energy disposition. It has been suggested that the contributions of the e{sub aq}{sup -} + e{sub aq}{sup -}, H + e{sub aq}{sup -} and H + H reactions between hydrated electrons (e{sub aq}{sup -}) and hydrogen atoms in the spurs are not sufficient to account for all of the observed H{sub 2} yield (0.45 molecules/100 eV) on the microsecond time scale. Addressing the question of the origin of an unscavengeable H{sub 2} yield of 0.15 molecules/100 eV produced before spur expansion, we suggest that the dissociative capture of the so-called vibrationally-relaxing electrons by H{sub 2}O molecules is a possible pathway for the formation of part of the initial H{sub 2} yield. Comparison of recent dissociative-electron-attachment H{sup -}-anion yield-distribution measurements from amorphous H{sub 2}O films with the energy spectrum of vibrationally-relaxing electrons in irradiated liquid water, calculated by Monte Carlo simulations, plays in favor of this hypothesis. (author).

  7. Heterolytic and Homolytic N-NO Bond Dissociation Energies of N-Nitroso-benzenesulfonylmethylamines in Acetonitrile

    Institute of Scientific and Technical Information of China (English)

    HAO Wei-Fang; Tang Hui; ZHU Xiao-Qing; CHENG Jin-Pei

    2003-01-01

    @@ Great interests have been accumulated in recent years in the chemistry and biochemistry of nitric oxide (NO) since the remarkable discoveries of its key roles in a wide range of human physiological processes. To elucidate the mechanistic details of NO migration from its donor to its acceptor, it is necessary to determine the Y-NO bind energy that registers the thermodynamic driving force for NO release and capture. In this paper the heterolytic and homolytic N-NO bond dissociation energies [ i. e., △Hhet(N-NO) and △Hhomo(N-NO)] for ten N-nitroso-p-substituted-benzensulfonyl methylamines in acetonitrile are offered, which were obtained from titration calorimetry and thermodynamic cycles, respectively (Scheme 1).

  8. Natural materials for carbon capture.

    Energy Technology Data Exchange (ETDEWEB)

    Myshakin, Evgeniy M. (National Energy Technology Laboratory, Pittsburgh, PA); Romanov, Vyacheslav N. (National Energy Technology Laboratory, Pittsburgh, PA); Cygan, Randall Timothy

    2010-11-01

    Naturally occurring clay minerals provide a distinctive material for carbon capture and carbon dioxide sequestration. Swelling clay minerals, such as the smectite variety, possess an aluminosilicate structure that is controlled by low-charge layers that readily expand to accommodate water molecules and, potentially, carbon dioxide. Recent experimental studies have demonstrated the efficacy of intercalating carbon dioxide in the interlayer of layered clays but little is known about the molecular mechanisms of the process and the extent of carbon capture as a function of clay charge and structure. A series of molecular dynamics simulations and vibrational analyses have been completed to assess the molecular interactions associated with incorporation of CO2 in the interlayer of montmorillonite clay and to help validate the models with experimental observation.

  9. Carbon Capture and Sequestration (CCS)

    Science.gov (United States)

    2009-06-19

    for the pre-combustion capture of CO2 is the use of Integrated Gasification Combined-Cycle ( IGCC ) technology to generate electricity.14 There are...currently four commercial IGCC plants worldwide (two in the United States) each with a capacity of about 250 MW. The technology has yet to make a major... IGCC is an electric generating technology in which pulverized coal is not burned directly but mixed with oxygen and water in a high-pressure gasifier

  10. Neutron Capture Reactions on lu Isotopes at Dance

    Science.gov (United States)

    Roig, O.; Meot, V.; Daugas, J.-M.; Morel, P.; Jandel, M.; Vieira, D. J.; Bond, E. M.; Bredeweg, T. A.; Couture, A. J.; Haight, R. C.; Keksis, A. L.; Rundberg, R. S.; Ullmann, J. L.; Wouters, J. M.

    2013-03-01

    The DANCE1 (Detector for Advanced Neutron Capture Experiments) array at LANSCE spallation neutron source in Los Alamos has been used to obtain the neutron radiative capture cross sections for 175Lu and 176Lu with neutron energies from thermal up to 100 keV. Both isotopes are of current interest for the nucleosynthesis s-process.2,3 Three targets were used to perform these measurements. One was natural Lu foil of 31 mg/cm2 and the other two were isotope-enriched targets of 175Lu and 176Lu. Firstly, the cross sections were obtained by normalizing yield to a well-known cross section at the thermal neutron energy. Now, we want to obtain absolute cross sections of radiative capture through a precise neutron flux determination, an accurate target mass measurement and an efficiency determination of the DANCE array.

  11. Proton Dissociation from Surfaces of Variable Charge Soil and Minerals

    Institute of Scientific and Technical Information of China (English)

    LUYA-HAI; HUANGCHANG-YONG; 等

    1994-01-01

    Experiments on proton dissociation from the surfaces of goethite,amorphous Al oxide.kaolinite and latosol were carried out,showing amphoteric behavior with reacions of proton dissociation-association on the surfaces and buffering capacity in such a sequence as amorphous Al oxide>latosol>kaolinite>goethite.Dissociation constants of surface proton,pKsa are significantly correlated with surface charge density,which has been proved with an elecrochemical model.The intrinsic constants of proton dissociation,Ksa(int),gained by eptrapolation to zero charge conditions of plots of pKsa against σ0,could be used to estimate the acidity strength of variable charge surfaces,The value of pKsa(int) is 8.08 for goethite,1.2 for a morphous Al oxide,6.62 for kaolinite and 5.32 for latosol.

  12. Memories of attachment hamper EEG cortical connectivity in dissociative patients.

    Science.gov (United States)

    Farina, Benedetto; Speranza, Anna Maria; Dittoni, Serena; Gnoni, Valentina; Trentini, Cristina; Vergano, Carola Maggiora; Liotti, Giovanni; Brunetti, Riccardo; Testani, Elisa; Della Marca, Giacomo

    2014-08-01

    In this study, we evaluated cortical connectivity modifications by electroencephalography (EEG) lagged coherence analysis, in subjects with dissociative disorders and in controls, after retrieval of attachment memories. We asked thirteen patients with dissociative disorders and thirteen age- and sex-matched healthy controls to retrieve personal attachment-related autobiographical memories through adult attachment interviews (AAI). EEG was recorded in the closed eyes resting state before and after the AAI. EEG lagged coherence before and after AAI was compared in all subjects. In the control group, memories of attachment promoted a widespread increase in EEG connectivity, in particular in the high-frequency EEG bands. Compared to controls, dissociative patients did not show an increase in EEG connectivity after the AAI. Conclusions: These results shed light on the neurophysiology of the disintegrative effect of retrieval of traumatic attachment memories in dissociative patients.

  13. Communication: Enhanced dissociative chemisorption of CO2 via vibrational excitation

    Science.gov (United States)

    Jiang, Bin; Guo, Hua

    2016-03-01

    A fully coupled global nine-dimensional potential energy surface for the dissociative chemisorption of CO2 on Ni(100) is constructed from ˜18 000 density functional points. It reveals a complex reaction pathway dominated by two near iso-energetic transition states. The dissociation probabilities obtained by quasi-classical trajectories on the potential energy surface reproduced experimental trends, and indicate that vibrational excitations of CO2 significantly promote the dissociation. Using the sudden vector projection model, the behavior of the reactivity is rationalized by couplings with the reaction coordinate at each transition state. These results offer plausible rationalization for the observed enhancement of CO2 dissociation in non-thermal plasmas by metal surfaces.

  14. Frustration and fulfillment of needs in dissociative and conversion disorders.

    Science.gov (United States)

    Ishikura, Reiji; Tashiro, Nobutada

    2002-08-01

    We reviewed all patients with dissociative disorders (nine patients with dissociative amnesia or dissociative fugue) and conversion disorders (10 patients) who were admitted and treated during the past 15 years. Needs frustrated at the appearance of the symptoms and those fulfilled at discharge were studied in both groups using Maslow's hierarchy of needs. The patients of both groups who encountered troubles in their life events were found to have frustrated needs. These symptoms tended to be accompanied more often by frustrations regarding a 'need for love' in the dissociative disorders group and by frustration in the need for 'self-esteem and self-actualization' in the conversion disorders group. In addition, needs of lower orders were already threatened at onset in many patients. The symptoms disappeared in patients in whom the situation completely improved (needs were fulfilled), but the symptoms were alleviated or unchanged in those in whom the problems remained unresolved.

  15. Taming microwave plasma to beat thermodynamics in CO2 dissociation

    NARCIS (Netherlands)

    van Rooij, G.; van den Bekerom, D.; N. den Harder,; Minea, T.; G. Berden,; Bongers, W.; Engeln, R.; Graswinckel, M.; Zoethout, E.; M. C. M. van de Sanden,

    2015-01-01

    The strong non-equilibrium conditions provided by the plasma phase offer the opportunity to beat traditional thermal process energy efficiencies via preferential excitation of molecular vibrations. Simple molecular physics considerations are presented to explain potential dissociation pathways in a

  16. Dissociation in Hysteria and Hypnosis: Evidence from Cognitive Neuroscience

    OpenAIRE

    Bell, Vaughan; Oakley, David A.; Halligan, Peter W; Deeley, Quinton

    2010-01-01

    Abstract Jean-Martin Charcot proposed the radical hypothesis that similar brain processes were responsible for the unexplained neurological symptoms of 'hysteria', now typically diagnosed as 'conversion disorder' or 'dissociative (conversion) disorder', and the temporary effects of hypnosis. While this idea has been largely ignored, recent cognitive neuroscience studies indicate that (i) hypnotisability traits are associated with a tendency to develop dissociative symptoms in the s...

  17. Subacute transverse myelitis with Lyme profile dissociation

    Directory of Open Access Journals (Sweden)

    Ajjan, Mohammed

    2008-06-01

    Full Text Available Introduction: Transverse myelitis is a very rare neurologic syndrome with an incidence per year of 1-5 per million population. We are presenting an interesting case of subacute transverse myelitis with its MRI (magnetic resonance imaging and CSF (cerebrospinal fluid findings. Case: A 46-year-old African-American woman presented with decreased sensation in the lower extremities which started three weeks ago when she had a 36-hour episode of sore throat. She reported numbness up to the level just below the breasts. Lyme disease antibodies total IgG (immunoglobulin G and IgM (immunoglobulin M in the blood was positive. Antinuclear antibody profile was within normal limits. MRI of the cervical spine showed swelling in the lower cervical cord with contrast enhancement. Cerebrospinal fluid was clear with negative Borrelia Burgdorferi IgG and IgM. Herpes simplex, mycoplasma, coxiella, anaplasma, cryptococcus and hepatitis B were all negative. No oligoclonal bands were detected. Quick improvement ensued after she was given IV Ceftriaxone for 7 days. The patient was discharged on the 8th day in stable condition. She continued on doxycycline for 21 days. Conclusions: Transverse myelitis should be included in the differential diagnosis of any patient presenting with acute or subacute myelopathy in association with localized contrast enhancement in the spinal cord especially if flu-like prodromal symptoms were reported. Lyme disease serology is indicated in patients with neurological symptoms keeping in mind that dissociation in Lyme antibody titers between the blood and the CSF is possible.

  18. Thermochemistry and bond dissociation energies of ketones.

    Science.gov (United States)

    Hudzik, Jason M; Bozzelli, Joseph W

    2012-06-14

    Ketones are a major class of organic chemicals and solvents, which contribute to hydrocarbon sources in the atmosphere, and are important intermediates in the oxidation and combustion of hydrocarbons and biofuels. Their stability, thermochemical properties, and chemical kinetics are important to understanding their reaction paths and their role as intermediates in combustion processes and in atmospheric chemistry. In this study, enthalpies (ΔH°(f 298)), entropies (S°(T)), heat capacities (C(p)°(T)), and internal rotor potentials are reported for 2-butanone, 3-pentanone, 2-pentanone, 3-methyl-2-butanone, and 2-methyl-3-pentanone, and their radicals corresponding to loss of hydrogen atoms. A detailed evaluation of the carbon-hydrogen bond dissociation energies (C-H BDEs) is also performed for the parent ketones for the first time. Standard enthalpies of formation and bond energies are calculated at the B3LYP/6-31G(d,p), B3LYP/6-311G(2d,2p), CBS-QB3, and G3MP2B3 levels of theory using isodesmic reactions to minimize calculation errors. Structures, moments of inertia, vibrational frequencies, and internal rotor potentials are calculated at the B3LYP/6-31G(d,p) density functional level and are used to determine the entropies and heat capacities. The recommended ideal gas-phase ΔH°(f 298), from the average of the CBS-QB3 and G3MP2B3 levels of theory, as well as the calculated values for entropy and heat capacity are shown to compare well with the available experimental data for the parent ketones. Bond energies for primary, secondary, and tertiary radicals are determined; here, we find the C-H BDEs on carbons in the α position to the ketone group decrease significantly with increasing substitution on these α carbons. Group additivity and hydrogen-bond increment values for these ketone radicals are also determined.

  19. Dissociable Learning Processes Underlie Human Pain Conditioning.

    Science.gov (United States)

    Zhang, Suyi; Mano, Hiroaki; Ganesh, Gowrishankar; Robbins, Trevor; Seymour, Ben

    2016-01-11

    Pavlovian conditioning underlies many aspects of pain behavior, including fear and threat detection [1], escape and avoidance learning [2], and endogenous analgesia [3]. Although a central role for the amygdala is well established [4], both human and animal studies implicate other brain regions in learning, notably ventral striatum and cerebellum [5]. It remains unclear whether these regions make different contributions to a single aversive learning process or represent independent learning mechanisms that interact to generate the expression of pain-related behavior. We designed a human parallel aversive conditioning paradigm in which different Pavlovian visual cues probabilistically predicted thermal pain primarily to either the left or right arm and studied the acquisition of conditioned Pavlovian responses using combined physiological recordings and fMRI. Using computational modeling based on reinforcement learning theory, we found that conditioning involves two distinct types of learning process. First, a non-specific "preparatory" system learns aversive facial expressions and autonomic responses such as skin conductance. The associated learning signals-the learned associability and prediction error-were correlated with fMRI brain responses in amygdala-striatal regions, corresponding to the classic aversive (fear) learning circuit. Second, a specific lateralized system learns "consummatory" limb-withdrawal responses, detectable with electromyography of the arm to which pain is predicted. Its related learned associability was correlated with responses in ipsilateral cerebellar cortex, suggesting a novel computational role for the cerebellum in pain. In conclusion, our results show that the overall phenotype of conditioned pain behavior depends on two dissociable reinforcement learning circuits.

  20. Negative electron-transfer dissociation nLC-MS/MS facilitates the analysis of thousands of acidic peptides

    OpenAIRE

    McAlister, Graeme C.; Russell, Jason D.; Rumachik, Neil G.; Hebert, Alexander S.; Syka, John E. P.; Geer, Lewis Y.; Westphall, Michael S.; Pagliarini, David J; Coon, Joshua J.

    2012-01-01

    We describe the first implementation of negative electron-transfer dissociation (NETD) on a hybrid ion trap-orbitrap mass spectrometer and its application to high-throughput sequencing of peptide anions. NETD – coupled with high pH separations, negative electrospray ionization (ESI), and an NETD compatible version of OMSSA – is part of a complete workflow that includes the formation, interrogation and sequencing of peptide anions. Together these interlocking pieces facilitated the identificat...

  1. Determination of the dissociation constants of polyepoxysuccinic acid

    Institute of Scientific and Technical Information of China (English)

    Lihua ZHANG; Zhiliang ZHU; Yanling QIU; Ronghua ZHANG; Jianfu ZHAO

    2008-01-01

    The dissociation constants of polyepoxysucci-nic acid (PESA) were investigated in this study. Based on the potentiometric titration and the BEST program, the dissociation constants of PESA were determined. Considering the complexity of the dissociation of PESA in aqueous solution, several models were constructed to simulate the dissociation process of PESA. By compar-ison, the dissociation constants of PESA were obtained with model 4. The species distribution of PESA in aque-ous solution as a function of pH was also presented according to the experimental and calculation results. It showed that the H2L model with five basic structure units to describe the dissociation of PESA was reasonable, and the relevant constants had less error and better matching between the experimental and calculation data. The cor-responding values of pKai were 4.68 and 4.92, respectively, for H2L at 35℃ with ionic strength of 0.1 mol/L.

  2. Dissociation Energies of Sulfur-Centered Hydrogen-Bonded Complexes.

    Science.gov (United States)

    Ghosh, Sanat; Bhattacharyya, Surjendu; Wategaonkar, Sanjay

    2015-11-01

    In this work we have determined dissociation energies of O-H···S hydrogen bond in the H2S complexes of various phenol derivatives using 2-color-2-photon photofragmentation spectroscopy in combination with zero kinetic energy photoelectron (ZEKE-PE) spectroscopy. This is the first report of direct determination of dissociation energy of O-H···S hydrogen bond. The ZEKE-PE spectra of the complexes revealed a long progression in the intermolecular stretching mode with significant anharmonicity. Using the anharmonicity information and experimentally determined dissociation energy, we also validated Birge-Sponer (B-S) extrapolation method, which is an approximate method to estimate dissociation energy. Experimentally determined dissociation energies were compared with a variety of ab initio calculations. One of the important findings is that ωB97X-D functional, which is a dispersion corrected DFT functional, was able to predict the dissociation energies in both the cationic as well as the ground electronic state very well for almost every case.

  3. Nanoscale mass conveyors

    Science.gov (United States)

    Regan, Brian C.; Aloni, Shaul; Zettl, Alexander K.

    2008-03-11

    A mass transport method and device for individually delivering chargeable atoms or molecules from source particles is disclosed. It comprises a channel; at least one source particle of chargeable material fixed to the surface of the channel at a position along its length; a means of heating the channel; and a means for applying an controllable electric field along the channel, whereby the device transports the atoms or molecules along the channel in response to applied electric field. In a preferred embodiment, the mass transport device will comprise a multiwalled carbon nanotube (MWNT), although other one dimensional structures may also be used. The MWNT or other structure acts as a channel for individual or small collections of atoms due to the atomic smoothness of the material. Also preferred is a source particle of a metal such as indium. The particles move by dissociation into small units, in some cases, individual atoms. The particles are preferably less than 100 nm in size.

  4. VUV photoionization and dissociation of o-nitrotoluene: Experimental and theoretical insights

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Maoqi; Li, Yuquan; Chu, Genbai; Chen, Jun; Shan, Xiaobin; Liu, Fuyi [School of Nuclear Science and Technology, National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029 (China); Wang, Zhenya [Laboratory of Environmental Spectroscopy, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Sheng, Liusi, E-mail: lssheng@ustc.edu.cn [School of Nuclear Science and Technology, National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029 (China)

    2013-12-15

    Highlights: •The photoionization and dissociative photoionization of o-nitrotoluene are studied with photoionization mass spectroscopy using synchrotron as “soft” ionization source. •The appearance energy of fragment ion C{sub 6}H{sub 6}N{sup +} is first obtained. •The candidate structures of the reactions, products, intermediates and transition states are obtained. •The dominant dissociation channels are discussed in detail. -- Abstract: The photoionization and dissociation of o-nitrotoluene have been studied by using tunable vacuum ultraviolet (VUV) mass spectrometer, in which ion time-of-flight (TOF) mass spectra are recorded as a function of the photon energy in the range of 9.0–15.0 eV. The ionization energy of o-nitrotoluene and appearance energies for its fragment ions C{sub 7}H{sub 6}NO{sup +}, C{sub 6}H{sub 6}N{sup +}, C{sub 7}H{sub 7}{sup +}, C{sub 6}H{sub 7}{sup +}, C{sub 6}H{sub 5}{sup +} and C{sub 5}H{sub 5}{sup +}, are determined to be respective 9.43, 9.71, 12.11, 11.01,12.15, 12.38 and 12.88 eV from the photoionization efficiency spectra. With the help of experimental and theoretical results, four photodissociation channels have been proposed: C{sub 7}H{sub 6}NO{sup +} + OH, C{sub 6}H{sub 6}N{sup +} + CO + OH, C{sub 7}H{sub 7}{sup +} + NO{sub 2}, and C{sub 5}H{sub 5}{sup +} + C{sub 2}H{sub 2} + NO{sub 2}. The dominant channel is found to be C{sub 7}H{sub 6}NO{sup +} + OH, followed by C{sub 6}H{sub 6}N{sup +} + CO + OH. All of these channels occur via isomerization prior to dissociation except for C{sub 7}H{sub 7}{sup +} + NO{sub 2}.

  5. Temporary Capture of Asteroids by an Eccentric Planet

    Science.gov (United States)

    Higuchi, A.; Ida, S.

    2017-04-01

    We have investigated the probability of temporary capture of asteroids in eccentric orbits by a planet in a circular or eccentric orbit through analytical and numerical calculations. We found that, in the limit of the circular orbit, the capture probability is ∼0.1% of encounters to the planet’s Hill sphere, independent of planetary mass and semimajor axis. In general, temporary capture becomes more difficult as the planet’s eccentricity ({e}{{p}}) increases. We found that the capture probability is almost independent of {e}{{p}} until a critical value ({e}{{p}}{{c}}) that is given by ≃5 times the Hill radius scaled by the planet’s semimajor axis. For {e}{{p}}> {e}{{p}}{{c}}, the probability decreases approximately in proportion to {e}{{p}}-1. The current orbital eccentricity of Mars is several times larger than {e}{{p}}{{c}}. However, since the range of secular change in Martian eccentricity overlaps {e}{{p}}{{c}}, the capture of minor bodies by Mars in the past is not ruled out.

  6. Universal imaging: Dissociative ionization of polyatomic molecules, chemical dynamics beamline 9.0.2

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, M.; Chen, D.; Suits, A.G. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)

    1997-04-01

    A third endstation was recently added to the Chemical Dynamics beamline, designed to exploit the high flux broadband undulator light for a range of studies of reactive scattering, photochemistry and photoionization processes using time-of-flight mass spectroscopy coupled with position-sensitive detection. Two molecular beam sources are fixed at right angles, with the undulator light, or laser beams, intersecting the molecular beams at 45{degrees}. To date, beamline experiments have included a study of dissociative photoionization of a variety of molecules including N{sub 2}O and SF{sub 6}. In this mode, a single molecular beam source is used, with the tunable undulator light inducing, in SF{sub 6} for example, the process SF{sub 6} {r_arrow} SF{sub 6}{sup +} + e{sup {minus}} {r_arrow} SF{sub 5}{sup +} + F + e{sup {minus}}. The SF{sub 5}{sup +} ions are accelerated up the flight tube, mass selected and detected as a function of position on a phosphor screen viewed by a CCD camera. The position directly reveals the recoil speed (or translational energy release) and angular distribution for the dissociative ionization process. Furthermore, this measurement is obtained for all recoil speeds and angles simultaneously. Such detailed angular information has not previously been obtained for dissociative ionization processes; typically ion time-of-flight profiles are deconvoluted to yield rough insight into the angular distributions. The recorded image is actually a 2-dimensional projection of the nascent 3-dimensional velocity distribution, but established tomographic techniques enable the authors to reconstruct the 3-D distribution.

  7. Development of Ocean Bottom Multi-component Seismic System for Methane Hydrate Dissociation Monitoring

    Science.gov (United States)

    Takahashi, H.; Asakawa, E.; Hayashi, T.; Inamori, T.; Saeki, T.

    2011-12-01

    A 2D multi-component seismic survey was carried out in the Nankai Trough using the RSCS (Real-time Seismic Cable System) system in 2006. The RSCS is the newly developed ocean bottom cable system which is usable in more than 2000m water depth. The results of the PP and data PS components gave us much information of the methane hydrates bearing zone. Based on RSCS technology, we are developing a new monitoring system using multi-component seismic sensors to delineate the methane hydrate dissociation zone for the offshore methane hydrate production test scheduled in FY2012. Conventional RSCS is composed of three component gimbaled geophones which require a large volume inside the receiver. We will adopt accelerometers to achieve a small receiver that is 2/3 the size of conventional RSCS. The accelerometer data can be corrected into horizontal or vertical directions based on the gravity acceleration. The receiver case has a protective metallic exterior and the cable is protected with steel-screened armoring, allowing for burial usage using ROV for sub-seabed deployment. It will realize a unique survey style that leaves the system on the seabed between pre-test baseline survey and post-test repeated survey, which might be up to 6 months. The fixed location of the receiver is very important for time-lapse monitoring survey. We name the new system as DSS (Deep-sea Seismic System). A feasibility study to detect the methane hydrate dissociation with the DSS was carried out and we found that the methane hydrate dissociation could be detected with the DSS depending on the area of the dissociation. The first experiment of the DSS performance test in a marine area is planned in November 2011. The main features of DSS are described as follows: (1) Deep-sea /Ultra Deep-sea Operation Methane hydrate exists in equilibrium temperature and pressure holds at water depths greater than 500m. The system water depth resistance target up to 2000m. The receiver case has a protective

  8. Fixation à haute et moyenne température de l'hydrogène sulfuré par des masses de captation régénérables Hydrogen-Sulfide Fixation At High and Medium Temperature by Regenerable Capture Masses

    Directory of Open Access Journals (Sweden)

    Hotier G.

    2006-11-01

    Full Text Available L'intérêt de la désulfuration haute température comparée à la même opération conduite à basse température est renforcé quand la désulfuration a lieu entre deux opérations de niveau thermique élevé comme la gazéification du charbon et la production d'électricité par cycles combinés turbine à gaz-turbine à vapeur. Les masses absorbantes à base d'oxyde de fer peuvent réaliser une bonne désulfuration mais résistent mal aux chocs thermiques. Un agent de régénération particulièrement efficace est le dioxyde de soufre qui peut réoxyder le sulfure de fer par une réaction légèrement endothermique. Un des principaux avantages de cette réaction est la production directe de soufre élémentaire. Ses désavantages sont une faible conversion par passe et la sulfatation de l'oxyde de calcium (une des nombreuses impuretés des boues rouges qui composent la masse. Lorsque l'on emploie de la vapeur pour diluer le SO2 deux autres réactions ont lieu. La production de soufre est augmentée et la sulfatation disparaît. Les productions principales du procédé sont du soufre élémentaire et de la vapeur haute pression. On rencontre deux zones de réactions (l'une de captation, l'autre de régénération séparées par un tampon de gaz inerte et une circulation de la masse. Aucune autre unité de traitement de soufre n'est requise sur le site. Une évaluation économique préliminaire montre que ce procédé est compétitif lorsqu'on le compare à un lavage des gaz par solvant, à froid. The interest of a high temperature unit compared to a low temperature one is enhanced when desulphurization takes place between two hotoperations like coal gasification and power generation by combined cycles. Iron oxide based sorbents such as redmuds can achieve good desulphurization but cannot withstand high temperature gradients. An efficient regenerating agent is sulphur dioxide. SO2 can regenerate iron sulphide with a slightly endothermic

  9. Realistic costs of carbon capture

    Energy Technology Data Exchange (ETDEWEB)

    Al Juaied, Mohammed (Harvard Univ., Cambridge, MA (US). Belfer Center for Science and International Affiaris); Whitmore, Adam (Hydrogen Energy International Ltd., Weybridge (GB))

    2009-07-01

    There is a growing interest in carbon capture and storage (CCS) as a means of reducing carbon dioxide (CO2) emissions. However there are substantial uncertainties about the costs of CCS. Costs for pre-combustion capture with compression (i.e. excluding costs of transport and storage and any revenue from EOR associated with storage) are examined in this discussion paper for First-of-a-Kind (FOAK) plant and for more mature technologies, or Nth-of-a-Kind plant (NOAK). For FOAK plant using solid fuels the levelised cost of electricity on a 2008 basis is approximately 10 cents/kWh higher with capture than for conventional plants (with a range of 8-12 cents/kWh). Costs of abatement are found typically to be approximately US$150/tCO2 avoided (with a range of US$120-180/tCO2 avoided). For NOAK plants the additional cost of electricity with capture is approximately 2-5 cents/kWh, with costs of the range of US$35-70/tCO2 avoided. Costs of abatement with carbon capture for other fuels and technologies are also estimated for NOAK plants. The costs of abatement are calculated with reference to conventional SCPC plant for both emissions and costs of electricity. Estimates for both FOAK and NOAK are mainly based on cost data from 2008, which was at the end of a period of sustained escalation in the costs of power generation plant and other large capital projects. There are now indications of costs falling from these levels. This may reduce the costs of abatement and costs presented here may be 'peak of the market' estimates. If general cost levels return, for example, to those prevailing in 2005 to 2006 (by which time significant cost escalation had already occurred from previous levels), then costs of capture and compression for FOAK plants are expected to be US$110/tCO2 avoided (with a range of US$90-135/tCO2 avoided). For NOAK plants costs are expected to be US$25-50/tCO2. Based on these considerations a likely representative range of costs of abatement from CCS

  10. Bond dissociation mechanism of ethanol during carbon nanotube synthesis via alcohol catalytic CVD technique: Ab initio molecular dynamics simulation

    Science.gov (United States)

    Oguri, Tomoya; Shimamura, Kohei; Shibuta, Yasushi; Shimojo, Fuyuki; Yamaguchi, Shu

    2014-03-01

    supergrowth CVD technique) [26]. Recently, several experimental studies have been carried out in an attempt to understand these complicated dissociation processes. For example, Tomie et al. [27] performed in situ mass spectroscopic analysis during CNT synthesis by the ACCVD technique and revealed that ethylene molecules are formed by the dissociation of ethanol, which means that C-O bonds in the ethanol molecules are dissociated during CNT synthesis. Moreover, Xiang et al. [28] employed isotopically labeled ethanol (i.e., 12CH3-13CH2-OH, 13CH3-12CH2-OH, and so forth) to trace the carbon atoms during CNT synthesis and revealed that the carbon further away from the hydroxyl group in the ethanol is preferentially incorporated into the SNWT structure, which was confirmed from the different G band peaks of the Raman spectra. This experimental finding shows that the C-C bonds in ethanol molecules are dissociated during CNT synthesis. Although many experimental studies [29-32] have revealed part of the dissociation process during CNT growth, it is not yet well understood how the initial dissociation of carbon source molecules affects the subsequent formation process of CNTs.In parallel with the many experimental studies, there has been numerous computational works focusing on the formation process of CNTs. However, most of these studies [9-16] did not take the dissociation of carbon source molecules into account and examined the cap formation process starting from isolated carbon atoms. This is mainly due to the fact that a low-impact interatomic potential appropriately describing the dissociation of carbon source molecules has not been established for classical molecular dynamics (MD) simulation. Meanwhile, several classical MD simulations using the ReaxFF potential [33], which describes chemical reactions with a reasonable degree of accuracy but has a high computational cost, have demonstrated the dissociation of hydrocarbons on a nickel cluster [34] and a flat metal surface [35

  11. Algal Energy Conversion and Capture

    Science.gov (United States)

    Hazendonk, P.

    2015-12-01

    We address the potential for energy conversions and capture for: energy generation; reduction in energy use; reduction in greenhouse gas emissions; remediation of water and air pollution; protection and enhancement of soil fertility. These processes have the potential to sequester carbon at scales that may have global impact. Energy conversion and capture strategies evaluate energy use and production from agriculture, urban areas and industries, and apply existing and emerging technologies to reduce and recapture energy embedded in waste products. The basis of biocrude production from Micro-algal feedstocks: 1) The nutrients from the liquid fraction of waste streams are concentrated and fed into photo bioreactors (essentially large vessels in which microalgae are grown) along with CO2 from flue gasses from down stream processes. 2) The algae are processed to remove high value products such as proteins and beta-carotenes. The advantage of algae feedstocks is the high biomass productivity is 30-50 times that of land based crops and the remaining biomass contains minimal components that are difficult to convert to biocrude. 3) The remaining biomass undergoes hydrothermal liquefaction to produces biocrude and biochar. The flue gasses of this process can be used to produce electricity (fuel cell) and subsequently fed back into the photobioreactor. The thermal energy required for this process is small, hence readily obtained from solar-thermal sources, and furthermore no drying or preprocessing is required keeping the energy overhead extremely small. 4) The biocrude can be upgraded and refined as conventional crude oil, creating a range of liquid fuels. In principle this process can be applied on the farm scale to the municipal scale. Overall, our primary food production is too dependent on fossil fuels. Energy conversion and capture can make food production sustainable.

  12. Elastic and proton-dissociative photoproduction of J/{psi} mesons at HERA

    Energy Technology Data Exchange (ETDEWEB)

    Alexa, C.; Dobre, M.; Rotaru, M.; Stoicea, G. [National Institute for Physics and Nuclear Engineering (NIPNE), Bucharest (Romania); Andreev, V.; Belousov, A.; Fomenko, A.; Gogitidze, N.; Lebedev, A.; Malinovski, E.; Rusakov, S.; Vazdik, Y. [Lebedev Physical Institute, Moscow (Russian Federation); Baghdasaryan, A.; Baghdasaryan, S.; Zohrabyan, H. [Yerevan Physics Institute, Yerevan (Armenia); Bartel, W.; Belov, P.; Brinkmann, M.; Britzger, D.; Campbell, A.J.; Eckerlin, G.; Elsen, E.; Felst, R.; Fischer, D.J.; Fleischer, M.; Gayler, J.; Ghazaryan, S.; Glazov, A.; Gouzevitch, M.; Grebenyuk, A.; Habib, S.; Haidt, D.; Kleinwort, C.; Kraemer, M.; Krueger, K.; Levonian, S.; Lipka, K.; List, B.; List, J.; Lobodzinski, B.; Meyer, A.B.; Meyer, J.; Niebuhr, C.; Olsson, J.E.; Ozerov, D.; Pahl, P.; Petrukhin, A.; Pitzl, D.; Placakyte, R.; Radescu, V.; Schmitt, S.; Sefkow, F.; Shushkevich, S.; South, D.; Steder, M.; Wuensch, E. [DESY, Hamburg (Germany); Begzsuren, K.; Ravdandorj, T.; Tseepeldorj, B. [Institute of Physics and Technology of the Mongolian Academy of Sciences, Ulaanbaatar (Mongolia); Boudry, V.; Specka, A. [Ecole Polytechnique, CNRS/IN2P3, LLR, Palaiseau (France); Bozovic-Jelisavcic, I.; Pandurovic, M. [University of Belgrade, Vinca Institute of Nuclear Sciences, Belgrade (Serbia); Brandt, G. [Oxford University, Department of Physics, Oxford (United Kingdom); Brisson, V.; Jacquet, M.; Pascaud, C.; Zhang, Z.; Zomer, F. [Universite Paris-Sud, CNRS/IN2P3, LAL, Orsay (France); Buniatyan, A.; Huber, F.; Pirumov, H.; Sauter, M.; Schoening, A. [Universitaet Heidelberg, Physikalisches Institut, Heidelberg (Germany); Bylinkin, A.; Bystritskaya, L.; Fedotov, A.; Lubimov, V.; Rostovtsev, A. [Institute for Theoretical and Experimental Physics, Moscow (Russian Federation); Cantun Avila, K.B.; Contreras, J.G.; Ruiz Tabasco, J.E. [CINVESTAV, Departamento de Fisica Aplicada, Merida, Yucatan (Mexico); Ceccopieri, F.; Wolf, E.A. de; Favart, L.; Hreus, T.; Janssen, X.; Roosen, R.; Staykova, Z.; Mechelen, P. van [Inter-University Institute for High Energies ULB-VUB, Brussels (Belgium); Universiteit Antwerpen, Antwerpen (Belgium); Cerny, K.; Pokorny, B.; Polifka, R.; Salek, D.; Valkarova, A.; Zacek, J.; Zlebcik, R. [Charles University, Faculty of Mathematics and Physics, Praha (Czech Republic); Chekelian, V.; Grindhammer, G.; Kiesling, C. [Max-Planck-Institut fuer Physik, Muenchen (Germany); Cvach, J.; Hladky, J.; Reimer, P.; Zalesak, J. [Academy of Sciences of the Czech Republic, Institute of Physics, Praha (Czech Republic); Dainton, J.B.; Gabathuler, E.; Greenshaw, T.; Klein, M.; Kretzschmar, J.; Laycock, P.; Maxfield, S.J.; Mehta, A.; Patel, G.D. [University of Liverpool, Department of Physics, Liverpool (United Kingdom); Daum, K.; Meyer, H. [Universitaet Wuppertal, Fachbereich C, Wuppertal (Germany); Diaconu, C.; Hoffmann, D.; Sauvan, E.; Vallee, C. [Aix-Marseille Univ, CNRS/IN2P3, CPPM, Marseille (France); Dodonov, V. [Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany); Dossanov, A. [Universitaet Hamburg, Institut fuer Experimentalphysik, Hamburg (Germany); Max-Planck-Institut fuer Physik, Muenchen (Germany); Egli, S.; Hildebrandt, M.; Horisberger, R. [Paul Scherrer Institut, Villigen (Switzerland); Feltesse, J.; Perez, E.; Schoeffel, L. [CE-Saclay, CEA, DSM/Irfu, Gif-sur-Yvette (France); Ferencei, J. [Slovak Academy of Sciences, Institute of Experimental Physics, Kosice (Slovakia); Goerlich, L.; Mikocki, S.; Milcewicz-Mika, I.; Nowak, G.; Sopicki, P.; Turnau, J. [Institute for Nuclear Physics, Cracow (Poland); Grab, C. [ETH, Institut fuer Teilchenphysik, Zuerich (Switzerland); Henderson, R.C.W. [University of Lancaster, Department of Physics, Lancaster (United Kingdom); Hennekemper, E.; Herbst, M.; Schultz-Coulon, H.C. [Universitaet Heidelberg, Kirchhoff-Institut fuer Physik, Heidelberg (Germany); Herrera, G.; Lopez-Fernandez, R. [CINVESTAV IPN, Departamento de Fisica, Mexico City (Mexico); Hiller, K.H.; Kostka, P.; Lange, W.; Naumann, T. [DESY, Zeuthen (Germany); Joensson, L. [University of Lund, Physics Department, Lund (Sweden); Jung, H. [Inter-University Institute for High Energies ULB-VUB, Brussels (Belgium); Universiteit Antwerpen, Antwerpen (Belgium); DESY, Hamburg (Germany); Kapichine, M.; Morozov, A.; Nikitin, D.; Palichik, V.; Spaskov, V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Kogler, R.; Nowak, K. [Universitaet Hamburg, Institut fuer Experimentalphysik, Hamburg (Germany); Landon, M.P.J.; Rizvi, E.; Traynor, D. [Queen Mary, University of London, School of Physics and Astronomy, London (United Kingdom); Martyn, H.U. [I. Physikalisches Institut der RWTH, Aachen (Germany); Morris, J.V.; Sankey, D.P.C. [STFC, Rutherford Appleton Laboratory, Didcot, Oxfordshire (United Kingdom); Mueller, K.; Robmann, P.; Straumann, U.; Truoel, P. [Physik-Institut der Universitaet Zuerich, Zuerich (Switzerland); Newman, P.R.; Thompson, P.D. [University of Birmingham, School of Physics and Astronomy, Birmingham (United Kingdom); Picuric, I.; Raicevic, N. [University of Montenegro, Faculty of Science, Podgorica (Montenegro); Soloviev, Y. [DESY, Hamburg (Germany); Lebedev Physical Institute, Moscow (Russian Federation); Stella, B. [Universita di Roma Tre (Italy); INFN Roma 3, Dipartimento di Fisica, Roma (Italy); Sykora, T. [Inter-University Institute for High Energies ULB-VUB, Brussels (Belgium); Universiteit Antwerpen, Antwerpen (Belgium); Charles University, Faculty of Mathematics and Physics, Praha (Czech Republic); Tsakov, I. [Institute for Nuclear Research and Nuclear Energy, Sofia (Bulgaria); Wegener, D. [TU Dortmund, Institut fuer Physik, Dortmund (Germany); Collaboration: The H1 Collaboration

    2013-06-15

    Cross sections for elastic and proton-dissociative photoproduction of J/{psi} mesons are measured with the H1 detector in positron-proton collisions at HERA. The data were collected at ep centre-of-mass energies {radical}(s) {approx} 318 GeV and {radical}(s) {approx} 225 GeV, corresponding to integrated luminosities of L = 130 pb{sup -1} and L = 10.8 pb{sup -1}, respectively. The cross sections are measured as a function of the photon-proton centre-of-mass energy in the range 25 < W{sub {gamma}p} < 110 GeV. Differential cross sections d {sigma}/dt, where t is the squared four-momentum transfer at the proton vertex, are measured in the range vertical stroke t vertical stroke < 1.2 GeV{sup 2} for the elastic process and vertical stroke t vertical stroke <8 GeV{sup 2} for proton dissociation. The results are compared to other measurements. The W{sub {gamma}p} and t-dependences are parametrised using phenomenological fits. (orig.)

  13. Diffractive dissociation of gluons into heavy quark–antiquark pairs in proton–proton collisions

    Energy Technology Data Exchange (ETDEWEB)

    Łuszczak, Marta, E-mail: luszczak@univ.rzeszow.pl [Institute of Physics, University of Rzeszów, PL-35-959 Rzeszów (Poland); Schäfer, Wolfgang, E-mail: Wolfgang.Schafer@ifj.edu.pl [Institute of Nuclear Physics PAN, PL-31-342 Kraków (Poland); Szczurek, Antoni, E-mail: Antoni.Szczurek@ifj.edu.pl [Institute of Physics, University of Rzeszów, PL-35-959 Rzeszów (Poland); Institute of Nuclear Physics PAN, PL-31-342 Kraków (Poland)

    2014-02-05

    We discuss diffractive dissociation of gluons into heavy quark pairs. The particular mechanism is similar to the diffractive dissociation of virtual photons into quarks, which drives diffractive deep inelastic production of charm in the low-mass diffraction, or large β-region. There, it can be understood, with some reservations, in terms of a valence heavy quark content of the Pomeron. The amplitude for the gp→QQ{sup ¯}p is derived in the impact parameter and momentum space. The cross section for single diffractive pp→QQ{sup ¯}pX is calculated as a convolution of the elementary cross section and gluon distribution in the proton. Integrated cross section and the differential distributions in e.g. transverse momentum and rapidity of the charm and bottom quark and antiquark, as well as the quark–antiquark invariant mass are calculated for the nominal LHC energy for different unintegrated gluon distributions from the literature. The ratio of the bottom-to-charm cross sections are shown and discussed as a function of several kinematical variables.

  14. Elastic and proton-dissociative photoproduction of J/{psi} mesons at HERA

    Energy Technology Data Exchange (ETDEWEB)

    Alexa, C. [National Institute for Physics and Nuclear Engineering (NIPNE), Bucharest (Romania); Andreev, V. [Lebedev Physical Institute, Moscow (Russian Federation); Baghdasaryan, A. [Yerevan Physics Institute (Armenia)] [and others; Collaboration: H1 Collaboration

    2013-04-15

    Cross sections for elastic and proton-dissociative photoproduction of J/{psi} mesons are measured with the H1 detector in positron-proton collisions at HERA. The data were collected at ep centre-of-mass energies {radical}(s){approx}318 GeV and {radical}(s){approx}225 GeV, corresponding to integrated luminosities of L=130 pb{sup -1} and L=10.8 pb{sup -1}, respectively. The cross sections are measured as a function of the photon-proton centre-of-mass energy in the range 25dissociation. The results are compared to other measurements. The W{sub {gamma}p} and t-dependences are parametrised using phenomenological fits.

  15. Diffractive dissociation of gluons into heavy quark-antiquark pairs in proton-proton collisions

    CERN Document Server

    Luszczak, Marta; Szczurek, Antoni

    2013-01-01

    We discuss diffractive dissociation of gluons into heavy quark pairs. The particular mechanism is similar to the diffractive dissociation of virtual photons into quarks, which drives diffractive deep inelastic production of charm in the low-mass diffraction, or large $\\beta$-region. There, it can be understood, with some reservations, in terms of a valence heavy quark content of the Pomeron. The amplitude for the $g p \\to Q \\bar Q p$ is derived in the impact parameter and momentum space. The cross section for single diffractive $p p \\to Q \\bar Q p X$ is calculated as a convolution of the elementary cross section and gluon distribution in the proton. Integrated cross section and the differential distributions in e.g. transverse momentum and rapidity of the charm and bottom quark and antiquark, as well as the quark-antiquark invariant mass are calculated for the nominal LHC energy for different unintegrated gluon distributions from the literature. The ratio of the bottom-to-charm cross sections are shown and di...

  16. The Effectiveness of Classroom Capture Technology

    Science.gov (United States)

    Ford, Maire B.; Burns, Colleen E.; Mitch, Nathan; Gomez, Melissa M.

    2012-01-01

    The use of classroom capture systems (systems that capture audio and video footage of a lecture and attempt to replicate a classroom experience) is becoming increasingly popular at the university level. However, research on the effectiveness of classroom capture systems in the university classroom has been limited due to the recent development and…

  17. Marker-Free Human Motion Capture

    DEFF Research Database (Denmark)

    Grest, Daniel

    Human Motion Capture is a widely used technique to obtain motion data for animation of virtual characters. Commercial optical motion capture systems are marker-based. This book is about marker-free motion capture and its possibilities to acquire motion from a single viewing direction. The focus...

  18. Insights into the Binding Sites of Organometallic Ruthenium Anticancer Compounds on Peptides Using Ultra-High Resolution Mass Spectrometry

    Science.gov (United States)

    Wills, Rebecca H.; Habtemariam, Abraha; Lopez-Clavijo, Andrea F.; Barrow, Mark P.; Sadler, Peter J.; O'Connor, Peter B.

    2014-04-01

    The binding sites of two ruthenium(II) organometallic complexes of the form [(η6-arene)Ru( N, N)Cl]+, where arene/ N, N = biphenyl (bip)/bipyridine (bipy) for complex AH076, and biphenyl (bip)/ o-phenylenediamine ( o-pda) for complex AH078, on the peptides angiotensin and bombesin have been investigated using Fourier transform ion cyclotron resonance (FTICR) mass spectrometry. Fragmentation was performed using collisionally activated dissociation (CAD), with, in some cases, additional data being provided by electron capture dissociation (ECD). The primary binding sites were identified as methionine and histidine, with further coordination to phenylalanine, potentially through a π-stacking interaction, which has been observed here for the first time. This initial peptide study was expanded to investigate protein binding through reaction with insulin, on which the binding sites proposed are histidine, glutamic acid, and tyrosine. Further reaction of the ruthenium complexes with the oxidized B chain of insulin, in which two cysteine residues are oxidized to cysteine sulfonic acid (Cys-SO3H), and glutathione, which had been oxidized with hydrogen peroxide to convert the cysteine to cysteine sulfonic acid, provided further support for histidine and glutamic acid binding, respectively.

  19. The dissociative experiences taxon is related to fantasy proneness.

    Science.gov (United States)

    Giesbrecht, Timo; Merckelbach, Harald; Geraerts, Elke

    2007-09-01

    Some authors have argued that nonpathological dissociation should be distinguished from a taxon form of pathological dissociation, which is indexed by the Dissociative Experiences Scale Taxon (DES-T). We tested to what extent DES-T scores are independent from fantasy immersion and whether DES-T scores are uniquely related to trauma self-reports. To this end, subsamples of undergraduate students (n = 930), healthy adults (n = 20), schizophrenic patients (n = 22), borderline personality disordered patients (n = 20), patients with mood disorder without psychosis (n = 19), and women with a history of childhood sexual abuse (n = 55) completed the Dissociative Experiences Scale and a measure of fantasy immersion. DES-T scores were related to absorption and fantasy immersion to a lesser extent than the original DES. However, the fact that nontrivial percentages within all groups, except for the healthy adults, were classified as taxon members casts doubts on the assumption that DES-T is a reliable index of pathological dissociation. Also, we found that the DES-T was not exclusively related to reports of childhood sexual abuse.

  20. Enhancement of burning velocity by dissociated oxygen atoms

    Science.gov (United States)

    Akashi, Haruaki; Yoshinaga, Tomokazu; Sasaki, Koichi

    2015-09-01

    Green technology, such as preventing global warming, has been developed for years. Researches on plasma assisted combustion is one of the technologies and have been done for investigating more efficient combustion, more efficient use of fossil fuel with plasmas or applying electric fields. In the ignition time delay analyses with the dissociated oxygen atoms which is generated by non-equilibrium plasma had significant effect on the ignition time. In this paper, dissociated oxygen could effect on burning velocity or not has been examined using CHEMKIN. As a result, no effect can be seen with dissociation degree of lower than 10-3. But there is an effect on the enhancement of burning velocity with higher degree of 10-3. At the dissociation degree of 5×10-2, the burning velocity is enhanced at a factor of 1.24. And it is found that the distributions of each species in front of preheat zone are completely different. The combustion process is proceeded several steps in advance, and generation of H2O, CO and CO2 can be seen before combustion in higher dissociation case. This work was supported by KAKENHI (22340170).

  1. Halo Effect on Direct Neutron Capture Process

    Institute of Scientific and Technical Information of China (English)

    刘祖华; 周宏余

    2004-01-01

    We calculate the capture cross sections of the 10Be(n,γ) 11 Be reaction by means of the asymptotic normalization coefficient method and demonstrate the halo effects on the capture cross sections for the direct radiative neutron capture where a p-, s- or d-wave neutron is captured into an s-orbit or p-orbit in 11 Be by emitting an E1 γ-ray,respectively. The result shows that the enormous enhancement of the capture cross section is just due to the large overlap of the incident neutron wave with the extended tail of the halo, which is clearly illustrated by the reduced transition amplitude function.

  2. Capture of Irregular Satellites at Jupiter

    CERN Document Server

    Nesvorny, D; Deienno, R

    2014-01-01

    The irregular satellites of outer planets are thought to have been captured from heliocentric orbits. The exact nature of the capture process, however, remains uncertain. We examine the possibility that irregular satellites were captured from the planetesimal disk during the early Solar System instability when encounters between the outer planets occurred (Nesvorny, Vokrouhlicky & Morbidelli 2007, AJ 133; hereafter NVM07). NVM07 already showed that the irregular satellites of Saturn, Uranus and Neptune were plausibly captured during planetary encounters. Here we find that the current instability models present favorable conditions for capture of irregular satellites at Jupiter as well, mainly because Jupiter undergoes a phase of close encounters with an ice giant. We show that the orbital distribution of bodies captured during planetary encounters provides a good match to the observed distribution of irregular satellites at Jupiter. The capture efficiency for each particle in the original transplanetary d...

  3. Exotic Properties of Light Nuclei and their Neutron Capture Cross Sections

    CERN Document Server

    Mengoni, A; Nakamura, T; Ishihara, M

    1996-01-01

    We have investigated the implications of the neutron halo configuration, observed in the ground-state of some neutron-rich light nuclei, on neutron radiative transition processes. In particular, we have studied the influence of the neutron halo on the direct radiative capture (DRC) process. The energy dependence as well as the strength of E1 emission due to incident p-wave neutrons is strongly influenced by the halo configuration of the residual nucleus capturing state. We have compared the calculated 10Be(n,gamma)11Be DRC cross section with that derived from the experiment in the inverse kinematics (Coulomb dissociation of 11Be). We show from the comparison that some important information on the structure of the halo nucleus 11Be can be derived.

  4. Cage-based performance capture

    CERN Document Server

    Savoye, Yann

    2014-01-01

    Nowadays, highly-detailed animations of live-actor performances are increasingly easier to acquire and 3D Video has reached considerable attentions in visual media production. In this book, we address the problem of extracting or acquiring and then reusing non-rigid parametrization for video-based animations. At first sight, a crucial challenge is to reproduce plausible boneless deformations while preserving global and local captured properties of dynamic surfaces with a limited number of controllable, flexible and reusable parameters. To solve this challenge, we directly rely on a skin-detached dimension reduction thanks to the well-known cage-based paradigm. First, we achieve Scalable Inverse Cage-based Modeling by transposing the inverse kinematics paradigm on surfaces. Thus, we introduce a cage inversion process with user-specified screen-space constraints. Secondly, we convert non-rigid animated surfaces into a sequence of optimal cage parameters via Cage-based Animation Conversion. Building upon this re...

  5. Muon capture by silicon 28

    Energy Technology Data Exchange (ETDEWEB)

    Armstrong, D.S. [College of William and Mary, Williamsburg, VA (United States). Dept. of Physics; Bauer, J. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Evans, J. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Gorringe, T.P. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Johnson, B.L. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Kalvoda, S. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Porter, R. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Siebels, B. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics; Gete, E. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Physics; Measday, D.F. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Physics; Moftah, B.A. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Physics; Stanislaus, S. [Valparaiso Univ., IN (United States). Dept. of Physics

    1996-12-01

    A measurement has been made of the angular correlation of the neutrino with the 1229 keV {gamma}-ray from the de-excitation of the 2201 keV 1{sup +} level in aluminum-28, following muon capture in silicon-28. To suppress the neutron-induced background in the HPGe detector, a coincidence in a NaI array is required with the 942 keV {gamma}-ray in the de-excitation cascade. The lifetime of the 2201 keV level is found to be 61{+-}4{+-}9 fs. The correlation coefficient {alpha} is found to be 0.36{+-}0.06 implying g{sub P}/g{sub A}=0{sup +3.5}{sub -3}. (orig.).

  6. Workshop on neutron capture therapy

    Energy Technology Data Exchange (ETDEWEB)

    Fairchild, R.G.; Bond, V.P. (eds.)

    1986-01-01

    Potentially optimal conditions for Neutron Capture Therapy (NCT) may soon be in hand due to the anticipated development of band-pass filtered beams relatively free of fast neutron contaminations, and of broadly applicable biomolecules for boron transport such as porphyrins and monoclonal antibodies. Consequently, a number of groups in the US are now devoting their efforts to exploring NCT for clinical application. The purpose of this Workshop was to bring these groups together to exchange views on significant problems of mutual interest, and to assure a unified and effective approach to the solutions. Several areas of preclinical investigation were deemed to be necessary before it would be possible to initiate clinical studies. As neither the monomer nor the dimer of sulfhydryl boron hydride is unequivocally preferable at this time, studies on both compounds should be continued until one is proven superior.

  7. Reaction paths of phosphine dissociation on silicon (001)

    Energy Technology Data Exchange (ETDEWEB)

    Warschkow, O.; McKenzie, D. R. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia); Curson, N. J. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of New South Wales, Sydney, NSW 2052 (Australia); London Centre for Nanotechnology and Department of Electronic and Electrical Engineering, University College London, 17-19 Gordon Street, London WC1H 0AH (United Kingdom); Schofield, S. R. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of New South Wales, Sydney, NSW 2052 (Australia); London Centre for Nanotechnology and Department of Physics and Astronomy, University College, 17-19 Gordon Street, London WC1H 0AH (United Kingdom); Marks, N. A. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia); Discipline of Physics & Astronomy, Curtin University, GPO Box U1987, Perth, WA (Australia); Wilson, H. F. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia); CSIRO Virtual Nanoscience Laboratory, Parkville, VIC 3052 (Australia); School of Applied Sciences, RMIT University, Melbourne, VIC 3000 (Australia); Radny, M. W.; Smith, P. V. [School of Mathematical and Physical Sciences, The University of Newcastle, Callaghan, NSW 2308 (Australia); Reusch, T. C. G.; Simmons, M. Y. [Centre for Quantum Computation and Communication Technology, School of Physics, The University of New South Wales, Sydney, NSW 2052 (Australia)

    2016-01-07

    Using density functional theory and guided by extensive scanning tunneling microscopy (STM) image data, we formulate a detailed mechanism for the dissociation of phosphine (PH{sub 3}) molecules on the Si(001) surface at room temperature. We distinguish between a main sequence of dissociation that involves PH{sub 2}+H, PH+2H, and P+3H as observable intermediates, and a secondary sequence that gives rise to PH+H, P+2H, and isolated phosphorus adatoms. The latter sequence arises because PH{sub 2} fragments are surprisingly mobile on Si(001) and can diffuse away from the third hydrogen atom that makes up the PH{sub 3} stoichiometry. Our calculated activation energies describe the competition between diffusion and dissociation pathways and hence provide a comprehensive model for the numerous adsorbate species observed in STM experiments.

  8. Reaction paths of phosphine dissociation on silicon (001)

    Science.gov (United States)

    Warschkow, O.; Curson, N. J.; Schofield, S. R.; Marks, N. A.; Wilson, H. F.; Radny, M. W.; Smith, P. V.; Reusch, T. C. G.; McKenzie, D. R.; Simmons, M. Y.

    2016-01-01

    Using density functional theory and guided by extensive scanning tunneling microscopy (STM) image data, we formulate a detailed mechanism for the dissociation of phosphine (PH3) molecules on the Si(001) surface at room temperature. We distinguish between a main sequence of dissociation that involves PH2+H, PH+2H, and P+3H as observable intermediates, and a secondary sequence that gives rise to PH+H, P+2H, and isolated phosphorus adatoms. The latter sequence arises because PH2 fragments are surprisingly mobile on Si(001) and can diffuse away from the third hydrogen atom that makes up the PH3 stoichiometry. Our calculated activation energies describe the competition between diffusion and dissociation pathways and hence provide a comprehensive model for the numerous adsorbate species observed in STM experiments.

  9. Dissociative Identity Disorders in Korea: Two Recent Cases

    Science.gov (United States)

    Kim, Ilbin; Jung, Hyun-Jin

    2016-01-01

    Although dissociative identity disorder (DID), the most severe of the dissociative disorders, has retained its own diagnostic entity since its introduction in the DSM-III, cases of DID are rarely seen in South and East Asia, likely due to the higher prevalence of possession disorder. We report two patients with DID who were recently admitted to our inpatient psychiatric unit and demonstrated distinct transitions to several identities. Their diagnoses were confirmed through a structured interview for dissociative disorders and possible differential diagnoses were ruled out by psychological, neuroimaging, and laboratory tests. The rapid transition to a Westernized, individualized society along with an increase in child abuse, might contribute to an increase in DID, previously under-diagnosed in this region. PMID:27081389

  10. Methane hydrate formation and dissociation in synthetic seawater

    Institute of Scientific and Technical Information of China (English)

    Vikash Kumar Saw; Iqbal Ahmad; Ajay Mandal; G.Udayabhanu; Sukumar Laik

    2012-01-01

    The formation and dissociation of methane gas hydrate at an interface between synthetic seawater (SSW) and methane gas have been experimentally investigated in the present work.The amount of gas consumed during hydrate formation has been calculated using the real gas equation.Induction time for the formation of hydrate is found to depend on the degree of subcooling.All the experiments were conducted in quiescent system with initial cell pressure of 11.14 MPa.Salinity effects on the onset pressure and temperature of hydrate formation are also observed.The dissociation enthalpies of methane hydrate in synthetic seawater were determined by Clausius-Clapeyron equation based on the measured phase equilibrium data.The dissociation data have been analyzed by existing models and compared with the reported data.

  11. Dissociative tendencies and memory performance on directed-forgetting tasks.

    Science.gov (United States)

    Devilly, Grant J; Ciorciari, Joseph; Piesse, Amy; Sherwell, Sarah; Zammit, Sonia; Cook, Fallon; Turton, Christie

    2007-03-01

    The current article presents two studies that aimed to replicate DePrince and Freyd's (2001, 2004) studies demonstrating that high and low dissociators differentially recall neutral and trauma words under conditions of varying cognitive load. We did not find this effect. This lack of replication was apparent for both free recall and word recognition memory and in both studies. In effect, we found little evidence to support betrayal trauma theory, yet observed increased memory fallibility, as demonstrated by lower general recall and (in one study) commission errors, in high dissociators.

  12. Photogenerated Exciton Dissociation in Highly Coupled Lead Salt Nanocrystal Assemblies

    KAUST Repository

    Choi, Joshua J.

    2010-05-12

    Internanocrystal coupling induced excitons dissociation in lead salt nanocrystal assemblies is investigated. By combining transient photoluminescence spectroscopy, grazing incidence small-angle X-ray scattering, and time-resolved electric force microscopy, we show that excitons can dissociate, without the aid of an external bias or chemical potential gradient, via tunneling through a potential barrier when the coupling energy is comparable to the exciton binding energy. Our results have important implications for the design of nanocrystal-based optoelectronic devices. © 2010 American Chemical Society.

  13. Cooperative dissociations of misfit dislocations at bimetal interfaces

    Science.gov (United States)

    Liu, K.; Zhang, R. F.; Beyerlein, I. J.; Chen, X. Y.; Yang, H.; Germann, T. C.

    2016-11-01

    Using atomistic simulations, several semi-coherent cube-on-cube bimetal interfaces are comparatively investigated to unravel the combined effect of the character of misfit dislocations, the stacking fault energy difference between bimetal pairs, and their lattice mismatch on the dissociation of interfacial misfit dislocations. Different dissociation paths and features under loadings provide several unique deformation mechanisms that are critical for understanding interface strengthening. In particular, applied strains can cause either the formation of global interface coherency by the migration of misfit dislocations from an interface to an adjoining crystal interior or to an alternate packing of stacking faults connected by stair-rod dislocations.

  14. Reaction pathways of the dissociation of methylal: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Frey, H.-M.; Beaud, P.; Gerber, T.; Mischler, B.; Radi, P.P.; Tzannis, A.-P. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    Schemata for modelling combustion processes do not yet include reaction rates for oxygenated fuels like methylal (DMM) which is considered as an additive or replacement for diesel due to its low sooting propensity. Density functional theory (DFT) studies of the possible reaction pathways for different dissociation steps of methylal are presented. Cleavage of a hydrogen bond to the methoxy group or the central carbon atom were simulated at the BLYP/6-311++G{sup **} level of theory. The results are compared to the experiment when dissociating and/or ionising DMM with femtosecond pulses. (author) 1 fig., 1 tab., 1 ref.

  15. A theoretical study on ascorbic acid dissociation in water clusters.

    Science.gov (United States)

    Demianenko, Eugeniy; Ilchenko, Mykola; Grebenyuk, Anatoliy; Lobanov, Victor; Tsendra, Oksana

    2014-03-01

    Dissociation of ascorbic acid in water has been studied by using a cluster model. It was examined by density functional theory (DFT) with the В3LYP, M06, and wB97XD functionals and a 6-311++G(d,p) basis set. The thermodynamic and kinetic characteristics of proton transfer from ascorbic acid molecule to water clusters were calculated as well as the equilibrium constants (pK a ) for the related processes. The used functionals in the DFT method together with continuum solvent models provided results close to the experimental data for the dissociation constant of ascorbic acid in aqueous solution.

  16. Electron-driven excitations and dissociation of molecules

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Greg [Univ. of California, Davis, CA (United States); Orel, Ann E. [Univ. of California, Davis, CA (United States)

    2015-02-13

    This program studied how energy is interchanged in electron and photon collisions with molecules leading to ex-citation and dissociation. Modern ab initio techniques, both for the photoionization and electron scattering, and the subsequent nuclear dynamics studies, are used to accurately treat these problems. This work addresses vibrational ex-citation and dissociative attachment following electron impact, and the dynamics following inner shell photoionzation. These problems are ones for which a full multi-dimensional treatment of the nuclear dynamics is essential and where non-adiabatic effects are expected to be important.

  17. Distinguishing between multiple personality disorder (dissociative identity disorder) and schizophrenia using the Structured Clinical Interview for DSM-IV Dissociative Disorders.

    Science.gov (United States)

    Steinberg, M; Cicchetti, D; Buchanan, J; Rakfeldt, J; Rounsaville, B

    1994-09-01

    The authors describe the systematic assessment of dissociative symptoms using the Structured Clinical Interview for DSM-IV Dissociative Disorders (SCID-D) in 50 psychiatric outpatients with a referring DSM-III-R diagnosis of either schizophrenia or schizoaffective disorder (N = 31) and subjects with multiple personality disorder (MPD [DSM-IV name change: dissociative identity disorder]; N = 19). Results indicate that patients with MPD experience significantly higher scores for five specific dissociative symptoms than patients with schizophrenia or schizoaffective disorder. The range, severity, and nature of the five dissociative symptom areas evaluated by the SCID-D distinguish MPD from the occasional occurrence of dissociative symptoms which may be seen in schizophrenia. Systematic assessment of dissociative symptoms using the SCID-D can assist in accurate differential diagnosis of MPD and schizophrenia.

  18. Carbon dioxide capture using polyethylenimine-loaded mesoporous carbons

    Institute of Scientific and Technical Information of China (English)

    Jitong Wang; Huichao Chen; Huanhuan Zhou; Xiaojun Liu; Wenming Qiao; Donghui Long; Licheng Ling

    2013-01-01

    A high efficiency sorbent for CO2 capture was developed by loading polyethylenimine (PEI) on mesoporous carbons which possessed well-developed mesoporous structures and large pore volume.The physicochemical properties of the sorbent were characterized by N2 adsorption/desorption,scanning electron microscopy (SEM),thermal gravimetric analysis (TG) and Fourier transform infrared spectroscopy (FT-IR) techniques followed by testing for CO2 capture.Factors that affected the sorption capacity of the sorbent were studied.The sorbent exhibited extraordinary capture capacity with CO2 concentration ranging from 5% to 80%.The optimal PEI loading was determined to be 65 wt.% with a CO2 sorption capacity of 4.82 mmol-CO2/g-sorbent in 15% CO2/N2 at 75℃,owing to low mass-transfer resistance and a high utilization ratio of the amine compound (63%).Moisture had a promoting effect on the sorption separation of CO2.In addition,the developed sorbent could be regenerated easily at 100℃,and it exhibited excellent regenerability and stability.These results indicate that this PEI-loaded mesoporous carbon sorbent should have a good potential for CO2 capture in the future.

  19. Carbon dioxide capture using polyethylenimine-loaded mesoporous carbons.

    Science.gov (United States)

    Wang, Jitong; Chen, Huichao; Zhou, Huanhuan; Liu, Xiaojun; Qiao, Wenming; Long, Donghui; Ling, Licheng

    2013-01-01

    A high efficiency sorbent for CO2 capture was developed by loading polyethylenimine (PEI) on mesoporous carbons which possessed well-developed mesoporous structures and large pore volume. The physicochemical properties of the sorbent were characterized by N2 adsorption/desorption, scanning electron microscopy (SEM), thermal gravimetric analysis (TG) and Fourier transform infrared spectroscopy (FT-IR) techniques followed by testing for CO2 capture. Factors that affected the sorption capacity of the sorbent were studied. The sorbent exhibited extraordinary capture capacity with CO2 concentration ranging from 5% to 80%. The optimal PEI loading was determined to be 65 wt.% with a CO2 sorption capacity of 4.82 mmol-CO2/g-sorbent in 15% CO2/N2 at 75 degrees C, owing to low mass-transfer resistance and a high utilization ratio of the amine compound (63%). Moisture had a promoting effect on the sorption separation of CO2. In addition, the developed sorbent could be regenerated easily at 100 degrees C, and it exhibited excellent regenerability and stability. These results indicate that this PEI-loaded mesoporous carbon sorbent should have a good potential for CO2 capture in the future.

  20. A review of the dissociative disorders: from multiple personality disorder to the posttraumatic stress

    Directory of Open Access Journals (Sweden)

    Modesto J. Romero-López

    Full Text Available In this paper we review the idea of dissociation, dissociative disorders and their relationship with the processes of consciousness. We will deal specifically with multiple personality disorder and posttraumatic stress disorder. Both polarize the discussion of diagnostic categories with dissociative symptoms. This review compares the initial ideas (one century old with the current scenario and emerging trends in research, which are relating cognitive processes and dissociative phenomena and disorders from a neuroscientific approach. We discuss the ideas on dissociation, hypnosis and suicide associated with these disorders. There seems to be a lack of consensus as to the nature of dissociation with theoretical, empirical and clinical implications.

  1. A combined beta-beam and electron capture neutrino experiment

    CERN Document Server

    Bernabeu, J; Orme, C; Palomares-Ruiz, S; Pascoli, S

    2009-01-01

    The next generation of long baseline neutrino experiments will aim at determining the value of the unknown mixing angle, theta_{13}, the type of neutrino mass hierarchy and the presence of CP-violation in the lepton sector. Beta-beams and electron capture experiments have been studied as viable candidates for long baseline experiments. They use a very clean electron neutrino beam from the beta-decays or electron capture decays of boosted ions. In the present article we consider an hybrid setup which combines a beta-beam with an electron capture beam by using boosted Ytterbium ions. We study the sensitivity to the CP-violating phase delta and the theta_{13} angle, the CP-discovery potential and the reach to determine the type of neutrino mass hierarchy for this type of long baseline experiment. The analysis is performed for different neutrino beam energies and baselines. Finally, we also discuss how the results would change if a better knowledge of some of the assumed parameters was achieved by the time this e...

  2. WIMP capture and annihilation in the Earth in effective theories

    CERN Document Server

    Catena, Riccardo

    2016-01-01

    I calculate the rate of WIMP capture and annihilation in the Earth in the non-relativistic effective theory of dark matter-nucleon interactions. Neglecting operator interference, I consider all Galilean invariant interaction operators that can arise from the exchange of a heavy particle of spin less than or equal to one when WIMPs have spin 0, 1/2 or 1. I compute position and shape of the expected resonances in the mass - capture rate plane and show that Iron is not the most important element in the capture process for many currently ignored interaction operators. I compare these predictions with the recent results of an Earth WIMP analysis of IceCube in the 86-string configuration and set limits on all isoscalar and isovector coupling constants of the effective theory of dark matter-nucleon interactions. For certain interaction operators and for a dark matter particle mass of about 50 GeV, I find that these limits are stronger than those I have previously derived in an analysis of the solar WIMP search perfo...

  3. Relative dissociation fractions of N2O under 15 -30 -keV H-,C- , and O- negative-ion impact

    Science.gov (United States)

    Wang, Dedong; Guo, Guannan; Min, Guangxin; Zhang, Xuemei

    2017-01-01

    The relative dissociation fractions of N2O are studied under 15-30-keV negative ions H-,C- , and O- impact. The recoil ions and ion pairs originating from the target molecule N2O are detected and identified in coincidence with scattered ions in single electron loss (SL) and double electron loss (DL) channels using a time-of-flight mass spectrometer. The dissociation fractions for the production of the fragment ions are obtained. We find that the relative dissociation fractions in SL are smaller than those in DL, and the degree of fragmentation will become greater with the impact energy increasing. We also analyze the coincident TOF spectra of two fragment ions which are produced from dissociation of N2O2 + and give the possible dissociation pathways of N2O2 + with 15 -30 -keV H-,C- , and O- impact. There are many studies on N2O with positive-ion, photon, and electron impact, and we compare our results under negative-ion impact with those works.

  4. Hypervalent radical formation probed by electron transfer dissociation of zwitterionic tryptophan and tryptophan-containing dipeptides complexed with Ca2+ and 18-crown-6 in the gas phase.

    Science.gov (United States)

    Fujihara, Akimasa; Matsuo, Sou; Tajiri, Michiko; Wada, Yoshinao; Hayakawa, Shigeo

    2015-10-01

    The relationship between peptide structure and electron transfer dissociation (ETD) is important for structural analysis by mass spectrometry. In the present study, the formation, structure and reactivity of the reaction intermediate in the ETD process were examined using a quadrupole ion trap mass spectrometer equipped with an electrospray ionization source. ETD product ions of zwitterionic tryptophan (Trp) and Trp-containing dipeptides (Trp-Gly and Gly-Trp) were detected without reionization using non-covalent analyte complexes with Ca(2+) and 18-crown-6 (18C6). In the collision-induced dissociation, NH3 loss was the main dissociation pathway, and loss related to the dissociation of the carboxyl group was not observed. This indicated that Trp and its dipeptides on Ca(2+) (18C6) adopted a zwitterionic structure with an NH3 (+) group and bonded to Ca(2+) (18C6) through the COO(-) group. Hydrogen atom loss observed in the ETD spectra indicated that intermolecular electron transfer from a molecular anion to the NH3 (+) group formed a hypervalent ammonium radical, R-NH3 , as a reaction intermediate, which was unstable and dissociated rapidly through N-H bond cleavage. In addition, N-Cα bond cleavage forming the z1 ion was observed in the ETD spectra of Trp-GlyCa(2+) (18C6) and Gly-TrpCa(2+) (18C6). This dissociation was induced by transfer of a hydrogen atom in the cluster formed via an N-H bond cleavage of the hypervalent ammonium radical and was in competition with the hydrogen atom loss. The results showed that a hypervalent radical intermediate, forming a delocalized hydrogen atom, contributes to the backbone cleavages of peptides in ETD.

  5. Techniques for capturing bighorn sheep lambs

    Science.gov (United States)

    Smith, Joshua B.; Walsh, Daniel P.; Goldstein, Elise J.; Parsons, Zachary D.; Karsch, Rebekah C.; Stiver, Julie R.; Cain, James W.; Raedeke, Kenneth J.; Jenks, Jonathan A.

    2014-01-01

    Low lamb recruitment is a major challenge facing managers attempting to mitigate the decline of bighorn sheep (Ovis canadensis), and investigations into the underlying mechanisms are limited because of the inability to readily capture and monitor bighorn sheep lambs. We evaluated 4 capture techniques for bighorn sheep lambs: 1) hand-capture of lambs from radiocollared adult females fitted with vaginal implant transmitters (VITs), 2) hand-capture of lambs of intensively monitored radiocollared adult females, 3) helicopter net-gunning, and 4) hand-capture of lambs from helicopters. During 2010–2012, we successfully captured 90% of lambs from females that retained VITs to ≤1 day of parturition, although we noted differences in capture rates between an area of high road density in the Black Hills (92–100%) of South Dakota, USA, and less accessible areas of New Mexico (71%), USA. Retention of VITs was 78% with pre-partum expulsion the main cause of failure. We were less likely to capture lambs from females that expelled VITs ≥1 day of parturition (range = 80–83%) or females that were collared without VITs (range = 60–78%). We used helicopter net-gunning at several sites in 1999, 2001–2002, and 2011, and it proved a useful technique; however, at one site, attempts to capture lambs led to lamb predation by golden eagles (Aquila chrysaetos). We attempted helicopter hand-captures at one site in 1999, and they also were successful in certain circumstances and avoided risk of physical trauma from net-gunning; however, application was limited. In areas of low accessibility or if personnel lack the ability to monitor females and/or VITs for extended periods, helicopter capture may provide a viable option for lamb capture.

  6. Amine modeling for CO2 capture: internals selection.

    Science.gov (United States)

    Karpe, Prakash; Aichele, Clint P

    2013-04-16

    Traditionally, trays have been the mass-transfer device of choice in amine absorption units. However, the need to process large volumes of flue gas to capture CO2 and the resultant high costs of multiple trains of large trayed columns have prompted process licensors and vendors to investigate alternative mass-transfer devices. These alternatives include third-generation random packings and structured packings. Nevertheless, clear-cut guidelines for selection of packings for amine units are lacking. This paper provides well-defined guidelines and a consistent framework for the choice of mass-transfer devices for amine absorbers and regenerators. This work emphasizes the role played by the flow parameter, a measure of column liquid loading and pressure, in the type of packing selected. In addition, this paper demonstrates the significant economic advantage of packings over trays in terms of capital costs (CAPEX) and operating costs (OPEX).

  7. Rest mass or inertial mass?

    OpenAIRE

    Khrapko, R. I.

    2001-01-01

    Rest mass takes the place of inertial mass in modern physics textbooks. It seems to be wrong. But this phenomenon is hidden away by the facts that rest mass adherents busily call rest mass "mass", not rest mass, and the word "mass" is associated with a measure of inertia. This topic has been considered by the author in the article "What is mass?" [1, 2, 3]. Additional arguments to a confirmation of such a thesis are presented here.

  8. Study of Diffractive Dissociation Especially into Strange and Charmed Particles with EHS

    CERN Multimedia

    2002-01-01

    .PP The diffractive production of heavy quark-antiquark pairs leading to strangeness-antistrangeness and charm-anticharm systems is intended to be measured in this experiment. The use of the rapid cycling bubble chamber (RCBC) with a volume of 100 x 40 x 40 cm|3 and a picture taking rate of 15 Hz as vertex detector and EHS as forward spectrometer is suitable for the first step of this physics programme. Inclusive cross-sections for diffraction dissociation into ss are lacking whereas diffractive cc production is already better known. The gain of more insight into the mechanism of heavy quark-antiquark production, exclusive diffractive reactions with @p|0's, diffractive resonance production and also the extraction of data for the double Pomeron exchange mechanism are envisage This experiment will be run in two parts, the first one recording the entire unbiased sample of pp and @p|-p interactions, the second however using triggering for beam and high mass target diffraction dissociation against elastic scatteri...

  9. VUV Photoionization and Dissociation of Tyramine and Dopamine: the Joint Experimental and Theoretical Studies

    Institute of Scientific and Technical Information of China (English)

    Hui-jun Guo; Li-li Ye; Liang-yuan Jia; Li-dong Zhang; Fei Qi

    2012-01-01

    Photon induced dissociation investigations of neutral tyramine and dopamine are carried out with synchrotron vacuum ultraviolet photoionization mass spectrometry and theoretical calculations.At low photon energy,only molecular ions are measured by virtue of nearthreshold photoionization.While increasing photon energy to 11.7 eV or more,four distinct fragment ions are obtained for tyramine and dopamine,respectively.Besides,the ionization energies of tyramine and dopamine are determined to be 7.98±0.05 and 7.67±0.05 eV by measuring the photoionization efficiency curves of corresponding molecular ions.With help of density function theory calculations,the detailed fragmentation pathways are established as well.These two molecular cations have similar aminoethyl group elimination pathways,C7H8O2+ (m/z=124) and C7H8O+ (m/z=108) are supposed to be generated by the McLafferty rearrangement via γ-hydrogen (γ-H) shift inducing β-fission.And CH2NH2+is proposed to derive from the direct fission of C7-C8 bond.Besides,the McLafferty rearrangement and the C7-C8 bond fission are validated to be dominant dissociation pathways for tyramine and dopamine cations.

  10. UV photo-dissociation and photodesorption of N{sub 2}O on Ag(111)

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Ki Hyun; Watanabe, Kazuo; Menzel, Dietrich; Freund, Hans-Joachim, E-mail: watanabe@fhi-berlin.mpg.d [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin (Germany)

    2010-03-03

    Nanosecond laser induced photoreactions of N{sub 2}O adsorbed on Ag(111) have been studied by temperature programmed desorption (TPD) and mass-selected, angle-dependent time-of-flight (MS-TOF) measurements of neutral desorbing particles. N{sub 2}O molecules in the first monolayer are thermally inert but photo-dissociate into N{sub 2} + O, or photodesorb molecularly or dissociatively, at photon energies above 3.5 eV. We have found that TOF spectra of photodesorbed N{sub 2} as well as of N{sub 2}O measured at hnu = 4.7 eV consist of two velocity components. The desorption flux of the fastest component of N{sub 2}O peaks approx 25 deg. off the surface normal, whereas the others are directed in the surface normal. Origins and photo-excitation as well as photodesorption mechanisms of the N{sub 2}O and N{sub 2} signals are discussed.

  11. Dissociation, Paranormal Belief, and Quality of Life in Older People

    Directory of Open Access Journals (Sweden)

    Tungshan Chou

    2015-12-01

    Full Text Available The measurement of religiosity in current health-related literature is mostly based on the traditional Christian belief system. It has been argued that such a measurement approach may misrepresent the true degree of religiosity in Taiwanese people. In this study, religiosity was measured in two ways: self-reported religion type and a qualitatively derived index of religious piety based on principles as suggested by Gries, Su, and Schak to be used in the Taiwanese context. Their effects on dissociation, paranormal belief, and quality of life were juxtaposed for comparison. In addition, the beneficial effect of religious piety was examined in the framework of McClenon’s ritual healing theory. A total of 266 healthy older adults across Taiwan were interviewed by four trained assistants over a 4-month period. Factor scores were used to represent the dissociative tendencies (depersonalization/derealization, forgetfulness, amnesia, and psychological absorption and paranormal belief facets (precognition, psi power, other forms of life, traditional religious belief, superstition, and telepathy. The results showed that older people of high religious piety display better quality of life profiles than their counterparts in the low religious piety group. The effects of self-reported religion type were mainly seen with paranormal beliefs compatible with their religious beliefs, whereas the effects of religious piety were more pronounced in relation to quality of life than dissociation and paranormal belief. The beneficial advantage of dissociation hypothesized by ritual healing theory did not receive empirical support in the nonclinical sample of this study.

  12. Perception, action, and Roelofs effect: a mere illusion of dissociation.

    Directory of Open Access Journals (Sweden)

    Paul Dassonville

    2004-11-01

    Full Text Available A prominent and influential hypothesis of vision suggests the existence of two separate visual systems within the brain, one creating our perception of the world and another guiding our actions within it. The induced Roelofs effect has been described as providing strong evidence for this perception/action dissociation: When a small visual target is surrounded by a large frame positioned so that the frame's center is offset from the observer's midline, the perceived location of the target is shifted in the direction opposite the frame's offset. In spite of this perceptual mislocalization, however, the observer can accurately guide movements to the target location. Thus, perception is prone to the illusion while actions seem immune. Here we demonstrate that the Roelofs illusion is caused by a frame-induced transient distortion of the observer's apparent midline. We further demonstrate that actions guided to targets within this same distorted egocentric reference frame are fully expected to be accurate, since the errors of target localization will exactly cancel the errors of motor guidance. These findings provide a mechanistic explanation for the various perceptual and motor effects of the induced Roelofs illusion without requiring the existence of separate neural systems for perception and action. Given this, the behavioral dissociation that accompanies the Roelofs effect cannot be considered evidence of a dissociation of perception and action. This indicates a general need to re-evaluate the broad class of evidence purported to support this hypothesized dissociation.

  13. Charge carrier dissociation and recombination in polymer solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Deibel, Carsten [Experimental Physics VI, Julius-Maximilians-University of Wuerzburg, 97074 Wuerzburg (Germany)

    2009-12-15

    In polymer:fullerene solar cells, the origin of the losses in the field-dependent photocurrent is still controversially debated. We contribute to the ongoing discussion by performing photo-induced charge extraction measurements on poly(3-hexylthiophene-2,5-diyl):[6,6]-phenyl-C{sub 61} butyric acid methyl ester solar cells in order to investigate the processes ruling charge carrier decay. Calculating the drift length of photogenerated charges, we find that polaron recombination is not limiting the photocurrent for annealed devices. Additionally, we applied Monte Carlo simulations on blends of conjugated polymer chain donors with acceptor molecules in order to gain insight into the polaron pair dissociation. The dissociation yield turns out to be rather high, with only a weak field dependence. With this complementary view on dissociation and recombination, we stress the importance of accounting for polaron pair dissociation, polaron recombination as well as charge extraction when considering the loss mechanisms in organic solar cells. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  14. Dissociation of the Ethyl Radical: An Exercise in Computational Chemistry

    Science.gov (United States)

    Nassabeh, Nahal; Tran, Mark; Fleming, Patrick E.

    2014-01-01

    A set of exercises for use in a typical physical chemistry laboratory course are described, modeling the unimolecular dissociation of the ethyl radical to form ethylene and atomic hydrogen. Students analyze the computational results both qualitatively and quantitatively. Qualitative structural changes are compared to approximate predicted values…

  15. Peptide fragmentation by keV ion-induced dissociation

    NARCIS (Netherlands)

    Bari, S.; Hoekstra, R.A.; Schlathölter, T.A.

    2010-01-01

    We have studied multiple ionization and dissociation of a trapped protonated peptide (leucine enkephalin) as induced by keV singly and doubly charged ions (H(+), He(+,) (2+)) to demonstrate the potential of keV ions as a future tool for peptide identification. In contrast to conventional excitation

  16. Assessing the Dissociability of Recollection and Familiarity in Recognition Memory

    Science.gov (United States)

    Pratte, Michael S.; Rouder, Jeffrey N.

    2012-01-01

    Recognition memory is often modeled as constituting 2 separate processes, recollection and familiarity, rather than as constituting a single process mediated by a generic latent strength. One way of stating evidence for the more complex 2-process model is to show dissociations with select manipulations, in which one manipulation affects…

  17. A double dissociation between somatosensory processing for perception and action

    NARCIS (Netherlands)

    Anema, Helen A.; van Zandvoort, Martine J. E.; de Haan, Edward H. F.; Kappelle, L. Jaap; de Kort, Paul. L. M.; Jansen, Ben P. W.; Dijkerman, H. Chris

    2009-01-01

    Human neuropsychology suggests that there are two distinct body representations. Body image and body schema are, respectively, thought to be involved in conscious perceptual judgments and unconscious sensorimotor guidance. The evidence is based on the double dissociation between disorders of percept

  18. Plasma-driven dissociation of CO2 for fuel synthesis

    NARCIS (Netherlands)

    Bongers, Waldo; Bouwmeester, Henny J.M.; Wolf, Bram; Peeters, Floran; Welzel, Stefan; Bekerom, van den Dirk; Harder, den Niek; Goede, Adelbert; Graswinckel, Martijn; Groen, Pieter Willem; Kopecki, Jochen; Leins, Martina; Rooij, van Gerard; Schulz, Andreas; Walker, Matthias; Sanden, van de Richard

    2016-01-01

    Power-to-gas is a storage technology aiming to convert surplus electricity from renewable energy sources like wind and solar power into gaseous fuels compatible with the current network infrastructure. Results of CO2 dissociation in a vortexstabilized microwave plasma reactor are presented. The micr

  19. Semiempirical and DFT Investigations of the Dissociation of Alkyl Halides

    Science.gov (United States)

    Waas, Jack R.

    2006-01-01

    Enthalpy changes corresponding to the gas phase heats of dissociation of 12 organic halides were calculated using two semiempirical methods, the Hartree-Fock method, and two DFT methods. These calculated values were compared to experimental values where possible. All five methods agreed generally with the expected empirically known trends in the…

  20. Simulations of dissociation constants in low pressure supercritical water

    Science.gov (United States)

    Halstead, S. J.; An, P.; Zhang, S.

    2014-09-01

    This article reports molecular dynamics simulations of the dissociation of hydrochloric acid and sodium hydroxide in water from ambient to supercritical temperatures at a fixed pressure of 250 atm. Corrosion of reaction vessels is known to be a serious problem of supercritical water, and acid/base dissociation can be a significant contributing factor to this. The SPC/e model was used in conjunction with solute models determined from density functional calculations and OPLSAA Lennard-Jones parameters. Radial distribution functions were calculated, and these show a significant increase in solute-solvent ordering upon forming the product ions at all temperatures. For both dissociations, rapidly decreasing entropy of reaction was found to be the controlling thermodynamic factor, and this is thought to arise due to the ions produced from dissociation maintaining a relatively high density and ordered solvation shell compared to the reactants. The change in entropy of reaction reaches a minimum at the critical temperature. The values of pKa and pKb were calculated and both increased with temperature, in qualitative agreement with other work, until a maximum value at 748 K, after which there was a slight decrease.

  1. Carrier-Envelope-Phase Dependent Dissociation of Hydrogen

    CERN Document Server

    Xu, Han; Laban, D E; Wallace, W C; Kielpinski, D; Sang, R T; Litvinyuk, I V

    2012-01-01

    We studied dependence of dissociative ionization in H2 on carrier-envelope phase (CEP) of few-cycle (6fs) near-infrared (NIR) laser pulses. For low-energy channels, we present the first experimental observation of CEP dependence for total dissociation yield and the highest dwgree of asymmetry reported to date (40%). The observed modulations in both asymmetry and total yield could be understood in terms of interference between different n-photon dissociation pathways - n and (n+1) photon channels for asymmetry, n and (n+2) photon channels for yield - as suggested by the general theory of CEP effects (Roudnev and Esry, Phys. Rev. Lett. 99, 220406 (2007), [1]). The yield modulation is found to be Pi-periodic in CEP, with its phase strongly dependent on fragment kinetic energy (and reversing its sign within the studied energy range), indicating that the dissociation does not simply follow the CEP dependence of maximum electric field, as a naive intuition might suggest. We also find that a positively chirped pulse...

  2. The kinetics of bivalent metal ion dissociation from myosin subfragments.

    Science.gov (United States)

    Bennett, A J; Bagshaw, C R

    1986-01-01

    Bivalent metal ions have multiple roles in subunit association and ATPase regulation in scallop adductor-muscle myosin. To help elucidate these functions, the rates of Ca2+ and Mg2+ dissociation from the non-specific high-affinity sites on the regulatory light chains were measured and compared with those of rabbit skeletal-muscle myosin subfragments. Ca2+ dissociation had a rate constant of about 0.7 s-1 in both species, as measured by the time course of the pH change on EDTA addition. Mg2+ dissociation had a rate constant of 0.05 s-1, as monitored by its displacement with the paramagnetic Mn2+ ion. It is concluded that the exchange between Ca2+ and Mg2+ at the non-specific site, on excitation of both skeletal and adductor muscles, is too slow to contribute to the activation itself. The release of bivalent metal ions from the non-specific site is, however, the first step in release of the scallop regulatory light chain (Bennett & Bagshaw (1986) Biochem. J. 233, 179-186). In scallop myosin additional specific sites are present, which can bind Ca2+ rapidly, to effect activation of the ATPase. In the course of this work, Ca2+ dissociation from EGTA was studied as a model system. This gave rates of 1 s-1 and 0.3 s-1 at pH 7.0 and pH 8.0 respectively.

  3. Imaging the Temporal Evolution of Molecular Orbitals during Ultrafast Dissociation

    Science.gov (United States)

    Sann, H.; Havermeier, T.; Müller, C.; Kim, H.-K.; Trinter, F.; Waitz, M.; Voigtsberger, J.; Sturm, F.; Bauer, T.; Wallauer, R.; Schneider, D.; Weller, M.; Goihl, C.; Tross, J.; Cole, K.; Wu, J.; Schöffler, M. S.; Schmidt-Böcking, H.; Jahnke, T.; Simon, M.; Dörner, R.

    2016-12-01

    We investigate the temporal evolution of molecular frame angular distributions of Auger electrons emitted during ultrafast dissociation of HCl following a resonant single-photon excitation. The electron emission pattern changes its shape from that of a molecular σ orbital to that of an atomic p state as the system evolves from a molecule into two separated atoms.

  4. Dissociation path for H2 on Al(110)

    DEFF Research Database (Denmark)

    Hammer, Bjørk; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet

    1992-01-01

    The minimum energy path is calculated for an H2 molecule dissociating on an Al(110) surface within local density functional theory. The properties of the potential energy surface along the five H2 ionic coordinates perpendicular to the reaction path are also determined and shown to be essential...

  5. Radioactive proton capture on {sup 6}He

    Energy Technology Data Exchange (ETDEWEB)

    Sauvan, E.; Marques, F.M. [Caen Univ., 14 (France). Lab. de Physique Corpusculaire; Wilschut, H.W. [Kernfysich Versneller Instituut, Groningen (Netherlands)

    2001-03-01

    Radiative capture of protons is investigated as a probe of clustering in nuclei far from stability. The first such measurement on a halo nucleus is reported here for the reaction {sup 6}He(p,{gamma}) at 40 MeV. Capture into {sup 7}Li is observed as the strongest channel. In addition, events have been recorded that may be described by quasi-free capture on halo neutron, the {alpha} core and {sup 5}He. The possibility of describing such events by capture into the continuum of {sup 7}Li is also discussed. (authors)

  6. Determination of the Neutron-Capture Rate of 17C for the R-process Nucleosynthesis

    CERN Document Server

    Heine, M; Wu, M -R; Adachi, T; Aksyutina, Y; Alcantara, J; Altstadt, S; Alvarez-Pol, H; Ashwood, N; Aumann, T; Avdeichikov, V; Barr, M; Beceiro-Novo, S; Bemmerer, D; Benlliure, J; Bertulani, C A; Boretzky, K; Borge, M J G; Burgunder, G; Caamano, M; Caesar, C; Casarejos, E; Catford, W; Cederkäll, J; Chakraborty, S; Chartier, M; Chulkov, L V; Cortina-Gil, D; Crespo, R; Pramanik, U Datta; Fernandez, P Diaz; Dillmann, I; Elekes, Z; Enders, J; Ershova, O; Estrade, A; Farinon, F; Fraile, L M; Freer, M; Freudenberger, M; Fynbo, H O U; Galaviz, D; Geissel, H; Gernhäuser, R; Göbel, K; Golubev, P; Diaz, D Gonzalez; Hagdahl, J; Heftrich, T; Heil, M; Heinz, A; Henriques, A; Holl, M; Ickert, G; Ignatov, A; Jakobsson, B; Johansson, H T; Jonson, B; Kalantar-Nayestanaki, N; Kanungo, R; Kelic-Heil, A; Knöbel, R; Kröll, T; Krücken, R; Kurcewicz, J; Kurz, N; Labiche, M; Langer, C; Bleis, T Le; Lemmon, R; Lepyoshkina, O; Lindberg, S; Machado, J; Marganiec, J; Martínez-Pinedo, G; Maroussov, V; Mostazo, M; Movsesyan, A; Najafi, A; Neff, T; Nilsson, T; Nociforo, C; Panin, V; Paschalis, S; Perea, A; Petri, M; Pietri, S; Plag, R; Prochazka, A; Rahaman, A; Rastrepina, G; Reifarth, R; Ribeiro, G; Ricciardi, M V; Rigollet, C; Riisager, K; Röder, M; Rossi, D; del Rio, J Sanchez; Savran, D; Scheit, H; Simon, H; Sorlin, O; Stoica, V; Streicher, B; Taylor, J T; Tengblad, O; Terashima, S; Thies, R; Togano, Y; Uberseder, E; Van de Walle, J; Velho, P; Volkov, V; Wagner, A; Wamers, F; Weick, H; Weigand, M; Wheldon, C; Wilson, G; Wimmer, C; Winfield, J S; Woods, P; Yakorev, D; Zhukov, M V; Zilges, A; Zuber, K

    2016-01-01

    With the R$^{3}$B-LAND setup at GSI we have measured exclusive relative-energy spectra of the Coulomb dissociation of $^{18}$C at a projectile energy around 425~AMeV on a lead target, which are needed to determine the radiative neutron-capture cross sections of $^{17}$C into the ground state of $^{18}$C. Those data have been used to constrain theoretical calculations for transitions populating excited states in $^{18}$C. This allowed to derive the astrophysical cross section $\\sigma^{*}_{\\mathrm{n}\\gamma}$ accounting for the thermal population of $^{17}$C target states in astrophysical scenarios. The experimentally verified capture rate is significantly lower than those of previously obtained Hauser-Feshbach estimations at temperatures $T_{9}\\leq{}1$~GK. Network simulations with updated neutron-capture rates and hydrodynamics according to the neutrino-driven wind model as well as the neutron-star merger scenario reveal no pronounced influence of neutron capture of $^{17}$C on the production of second- and thi...

  7. A Monoclonal Antibody Based Capture ELISA for Botulinum Neurotoxin Serotype B: Toxin Detection in Food

    Directory of Open Access Journals (Sweden)

    Larry H. Stanker

    2013-11-01

    Full Text Available Botulism is a serious foodborne neuroparalytic disease, caused by botulinum neurotoxin (BoNT, produced by the anaerobic bacterium Clostridium botulinum. Seven toxin serotypes (A–H have been described. The majority of human cases of botulism are caused by serotypes A and B followed by E and F. We report here a group of serotype B specific monoclonal antibodies (mAbs capable of binding toxin under physiological conditions. Thus, they serve as capture antibodies for a sandwich (capture ELISA. The antibodies were generated using recombinant peptide fragments corresponding to the receptor-binding domain of the toxin heavy chain as immunogen. Their binding properties suggest that they bind a complex epitope with dissociation constants (KD’s for individual antibodies ranging from 10 to 48 × 10−11 M. Assay performance for all possible combinations of capture-detector antibody pairs was evaluated and the antibody pair resulting in the lowest level of detection (L.O.D., ~20 pg/mL was determined. Toxin was detected in spiked dairy samples with good recoveries at concentrations as low as 0.5 pg/mL and in ground beef samples at levels as low as 2 ng/g. Thus, the sandwich ELISA described here uses mAb for both the capture and detector antibodies (binding different epitopes on the toxin molecule and readily detects toxin in those food samples tested.

  8. Neutron capture measurements on unstable nuclei at LANSCE

    Energy Technology Data Exchange (ETDEWEB)

    Ullmann, J.L.; Haight, R.C. [LANSCE-3, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Fowler, M.M.; Miller, G.G.; Rundberg, R.S.; Wilhelmy, J.B. [CST-11, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    1999-06-01

    Although neutron capture by stable isotopes has been extensively measured, there are very few measurements on unstable isotopes. The intense neutron flux at the Manual Lujan Jr. Neutron Scattering Center at LANSCE enables us to measure capture on targets with masses of about 1 mg over the energy range from 1 eV to 100 keV. These measurements are important not only for understanding the basic physics, but also for calculations of stellar nucleosynthesis and Science-Based Stockpile Stewardship. Preliminary measurements on {sup 169}Tm and {sup 171}Tm have been made with deuterated benzene detectors. A new detector array at the Lujan center and a new radioactive isotope separator will combine to give Los Alamos a unique capability for making these measurements. {copyright} {ital 1999 American Institute of Physics.}

  9. Neutron Capture Measurements on Unstable Nuclei at LANSCE

    Energy Technology Data Exchange (ETDEWEB)

    Ullmann, J.; Haight, R.; Wilhelmy, J.; Fowler, M.; Rundberg, R.; Miller, G.

    1998-11-04

    Although neutron capture by stable isotopes has been extensively measured, there are very few measurements on unstable isotopes. The intense neutron flux at the Manual Lujan Jr. Neutron Scattering Center at LANSCE enables us to measure capture on targets with masses of about 1 mg over the energy range from 1 eV to 100 keV. These measurements are important not only for understanding the basic physics, but also for calculations of stellar nucleosynthesis and Science-Based Stockpile Stewardship. Preliminary measurements on {sup 169}Tm and {sup 171}Tm have been made with deuterated benzene detectors. A new detector array at the Lujan center and a new radioactive isotope separator will combine to give Los Alamos a unique capability for making these measurements.

  10. Comment on "Organics captured from comet 81P/Wild 2 by the Stardust spacecraft".

    Science.gov (United States)

    Spencer, Maegan K; Zare, Richard N

    2007-09-21

    Sandford et al. (Reports, 15 December 2006, p. 1720) reported on organic compounds captured from Comet 81P/Wild 2 by the Stardust spacecraft. We emphasize the difficulty in assigning the origin of compounds detected diffusely along particle impact tracks and show that rapid heating of aerogel that has never been exposed to cometary particle capture can generate complex aromatic molecules from low-mass carbon impurities present in the aerogel.

  11. Influence of wetting-layer wave functions on phonon-mediated carrier capture into self-assembled quantum dots

    DEFF Research Database (Denmark)

    Markussen, Troels; Kristensen, Philip Trøst; Tromborg, Bjarne

    2006-01-01

    Models of carrier dynamics in quantum dots rely strongly on adequate descriptions of the carrier wave functions. In this work we numerically solve the one-band effective mass Schrodinger equation to calculate the capture times of phonon-mediated carrier capture into self-assembled quantum dots...

  12. Photofragment translational spectroscopy of three body dissociations and free radicals

    Energy Technology Data Exchange (ETDEWEB)

    North, Simon William [Univ. of California, Berkeley, CA (United States)

    1995-04-01

    This dissertation describes several three-body dissociations and the photodissociation of methyl radicals studied using photofragment translational spectroscopy. The first chapter provides an introduction to three body dissociation, examines current experimental methodology, and includes a discussion on the treatment of photofragment translational spectroscopy data arising from three-body fragmentation. The ultraviolet photodissociation of azomethane into two methyl radicals and nitrogen is discussed in chapter 2. Chapter 3 describes the photodissociation of acetone at 248 nm and 193 nm. At 248 nm the translational energy release from the initial C-C bond cleavage matches the exit barrier height and a comparison with results at 266 nm suggests that T> is invariant to the available energy. A fraction of the nascent CH3CO radicals spontaneously dissociate following rotational averaging. The T> for the second C-C bond cleavage also matches the exit barrier height. At 193 nm the experimental data can be successfully fit assuming that the dynamics are analogous to those at 248 nm. A simplified model of energy partitioning which adequately describes the experimental results is discussed. Experiments on acetyl halides provide additional evidence to support the proposed acetone dissociation mechanism. A value of 17.0±1.0 kcal/mole for the barrier height, CH3CO decomposition has been determined. The photodissociation of methyl radical at 193 nm and 212.8 nm is discussed in the chapter 5. The formation of CH2(1Al) and H (2S) was the only single photon dissociation pathway observed at both wavelengths.

  13. Perception-action dissociation generalizes to the size-inertia illusion.

    Science.gov (United States)

    Platkiewicz, Jonathan; Hayward, Vincent

    2014-04-01

    Two objects of similar visual aspects and of equal mass, but of different sizes, generally do not elicit the same percept of heaviness in humans. The larger object is consistently felt to be lighter than the smaller, an effect known as the "size-weight illusion." When asked to repeatedly lift the two objects, the grip forces were observed to adapt rapidly to the true object weight while the size-weight illusion persisted, a phenomenon interpreted as a dissociation between perception and action. We investigated whether the same phenomenon can be observed if the mass of an object is available to participants through inertial rather than gravitational cues and if the number and statistics of the stimuli is such that participants cannot remember each individual stimulus. We compared the responses of 10 participants in 2 experimental conditions, where they manipulated 33 objects having uncorrelated masses and sizes, supported by a frictionless, air-bearing slide that could be oriented vertically or horizontally. We also analyzed the participants' anticipatory motor behavior by measuring the grip force before motion onset. We found that the perceptual illusory effect was quantitatively the same in the two conditions and observed that both visual size and haptic mass had a negligible effect on the anticipatory gripping control of the participants in the gravitational and inertial conditions, despite the enormous differences in the mechanics of the two conditions and the large set of uncorrelated stimuli.

  14. Characteristics of Ion Activation and Collision Induced Dissociation Using Digital Ion Trap Technology

    Science.gov (United States)

    Xu, Fuxing; Dang, Qiankun; Dai, Xinhua; Fang, Xiang; Wang, Yuanyuan; Ding, Li; Ding, Chuan-Fan

    2016-08-01

    Collision induced dissociation (CID) is one of the most established techniques for tandem mass spectrometry analysis. The CID of mass selected ion could be realized by ion resonance excitation with a digital rectangular waveform. The method is simple, and highly efficient CID result could be obtained by optimizing the experimental parameters, such as digital waveform voltage, frequency, and q value. In this work, the relationship between ion trapping waveform voltage and frequency at preselected q value, the relationship between waveform frequency and the q value at certain ion trapping voltage for optimum CID efficiency were investigated. Experiment results showed that the max CID efficiency of precursor reserpine ions can be obtained at different trapping waveform voltage and frequency when q and β are different. Based on systematic experimental analysis, the optimum experimental conditions for high CID efficiency can be calculated at any selected β or q. By using digital ion trap technology, the CID process and efficient fragmentation of parent ions can be realized by simply changing the trapping waveform amplitude, frequency, and the β values in the digital ion trap mass spectrometry. The technology and method are simple. It has potential use in ion trap mass spectrometry.

  15. Inter-Identity Autobiographical Amnesia in Patients with Dissociative Identity Disorder

    NARCIS (Netherlands)

    Huntjens, R.J.C.; Verschuere, B.; McNally, R.J.

    2012-01-01

    Background: A major symptom of Dissociative Identity Disorder (DID; formerly Multiple Personality Disorder) is dissociative amnesia, the inability to recall important personal information. Only two case studies have directly addressed autobiographical memory in DID. Both provided evidence suggestive

  16. Inter-identity autobiographical amnesia in patients with dissociative identity disorder

    NARCIS (Netherlands)

    Huntjens, R.J.C.; Verschuere, B.; McNally, R.J.

    2012-01-01

    Background A major symptom of Dissociative Identity Disorder (DID; formerly Multiple Personality Disorder) is dissociative amnesia, the inability to recall important personal information. Only two case studies have directly addressed autobiographical memory in DID. Both provided evidence suggestive

  17. Volume of discrete brain structures in complex dissociative disorders : preliminary findings

    NARCIS (Netherlands)

    Ehling, T.; Nijenhuis, E. R. S.; Krikke, A. P.; DeKloet, ER; Vermetten, E

    2007-01-01

    Based on findings in traumatized animals and patients with posttraumatic stress disorder, and on traumatogenic models of complex dissociative disorders, it was hypothesized that (1) patients with complex dissociative disorders have smaller volumes of hippocampus, parahippocampal gyrus, and amygdala

  18. The impact of dissociation and depression on the efficacy of prolonged exposure treatment for PTSD

    NARCIS (Netherlands)

    Hagenaars, M.A.; Minnen, A. van; Hoogduin, C.A.L.

    2010-01-01

    This study investigates the impact of dissociative phenomena and depression on the efficacy of prolonged exposure treatment in 71 patients with posttraumatic stress disorder (PTSD). Diagnoses, comorbidity, pretreatment depressive symptoms, PTSD symptom severity, and dissociative phenomena (trait dis

  19. Extent of thermal ablation suffered by model organic microparticles during aerogel capture at hypervelocities

    Science.gov (United States)

    Burchell, M. J.; Foster, N. J.; Ormond-Prout, J.; Dupin, D.; Armes, S. P.

    2009-11-01

    New model organic microparticles are used to assess the thermal ablation that occurs during aerogel capture at speeds from 1 to 6 km s-1. Commercial polystyrene particles (20 µm diameter) were coated with an ultrathin 20 nm overlayer of an organic conducting polymer, polypyrrole. This overlayer comprises only 0.8% by mass of the projectile but has a very strong Raman signature, hence its survival or destruction is a sensitive measure of the extent of chemical degradation suffered. After aerogel capture, microparticles were located via optical microscopy and their composition was analyzed in situ using Raman microscopy. The ultrathin polypyrrole overlayer survived essentially intact for impacts at ~1 km s-1, but significant surface carbonization was found at 2 km s-1, and major particle mass loss at ≥3 km s-1. Particles impacting at ~6.1 km s-1 (the speed at which cometary dust was collected in the NASA Stardust mission) were reduced to approximately half their original diameter during aerogel capture (i.e., a mass loss of 84%). Thus significant thermal ablation occurs at speeds above a few km s-1. This suggests that during the Stardust mission the thermal history of the terminal dust grains during capture in aerogel may be sufficient to cause significant processing or loss of organic materials. Further, while Raman D and G bands of carbon can be obtained from captured grains, they may well reflect the thermal processing during capture rather than the pre-impact particle’s thermal history.

  20. Dissociação e transtornos dissociativos: modelos teóricos Dissociation and dissociative disorders: theoretical models

    Directory of Open Access Journals (Sweden)

    Paulo Jacomo Negro Junior

    1999-12-01

    Full Text Available A compreensão da experiência dissociativa e das origens dos transtornos dissociativos é difícil devido à complexidade da questão. As contradições da classificação são decorrentes das dificuldades de se construir uma teoria da mente abrangente que unifique neurobiologia e psicodinâmica. Os autores discutem as bases conceituais da dissociação com ênfase na integração entre neurobiologia e fenomenologia. O papel do aprendizado é amplamente discutido, assim como as teorias atuais de neodissociação, trauma e sociocognitivismo para os transtornos dissociativos.It is challenging to understand the dissociative experiences and the origins of dissociative disorders. Contradictions of classification are due to the intrinsic difficulties to build up a theory of the mind that unifies neurobiology and psychodynamics. The authors discuss the conceptual basis of dissociation, with emphasis on the integration of neurobiology and phenomenology. The role of learning is discussed as well as the neodissociative, trauma, and sociocognitive theories for dissociative disorders.