WorldWideScience

Sample records for ionization spectroscopy investigations

  1. Resonance ionization spectroscopy in dysprosium

    Energy Technology Data Exchange (ETDEWEB)

    Studer, D., E-mail: dstuder@uni-mainz.de; Dyrauf, P.; Naubereit, P.; Heinke, R.; Wendt, K. [Johannes Gutenberg-Universität Mainz, Institut für Physik (Germany)

    2017-11-15

    We report on resonance ionization spectroscopy (RIS) of high-lying energy levels in dysprosium. We developed efficient excitation schemes and re-determined the first ionization potential (IP) via analysis of Rydberg convergences. For this purpose both two- and three-step excitation ladders were investigated. An overall ionization efficiency of 25(4) % could be demonstrated in the RISIKO mass separator of Mainz University, using a three-step resonance ionization scheme. Moreover, an extensive analysis of the even-parity 6sns- and 6snd-Rydberg-series convergences, measured via two-step excitation was performed. To account for strong perturbations in the observed s-series, the approach of multichannel quantum defect theory (MQDT) was applied. Considering all individual series limits we extracted an IP-value of 47901.76(5) cm{sup −1}, which agrees with the current literature value of 47901.7(6) cm{sup −1}, but is one order of magnitude more precise.

  2. Investigation of some Rydberg states of ketene by two-photon resonance-enhanced multiphoton ionization spectroscopy

    Science.gov (United States)

    Wang, Shiliang; Shi, Yujun; Dénommée, Stéphane; Simard, Benoit; Lee, Yuan-Pern

    2003-10-01

    Rydberg states of CH2CO and CD2CO in the 54 000-72 000 cm-1 spectral range have been reinvestigated using two-photon resonance-enhanced multiphoton-ionization spectroscopy. Improved resolution and sensitivity has allowed for identifications of more Rydberg states than in previous work. Based on an analysis of rotational structures and quantum defects and a comparison with the results of theoretical calculations, transitions to the 3pz, 4py, 4pz, and 5py, three components of 4d, and two components of 4f Rydberg states with a ground-state ionic core (X˜ 2B1) are identified. Several transitions have been reassigned. Vibrational wave numbers indicate that the geometry of the [X˜ 2B1]3py(1A2) state is almost identical to that of the corresponding cation in its ground electronic state, with C2v symmetry, whereas that of the [X˜ 2B1]3px(1A1) state differs significantly from those of the neutral molecule and the cation in their ground states, consistent with previous quantum chemical calculations that indicated that the [X˜ 2B1]3px(1A1) state has Cs symmetry. The energy ordering of the three components of the 3p Rydberg states is found to be 3pxout-of-plane bending, CH2 or CD2 wagging) and b2 symmetries (e.g., C=C=O in-plane bending) are observed in several Rydberg states of CH2CO and CD2CO.

  3. Historical survey of resonance ionization spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hurst, G.S.

    1984-04-01

    We have recently celebrated the 10th birthday of Resonance Ionization Spectroscopy (RIS), and this seems an appropriate time to review the history of its development. Basically, RIS is a photophysics process in which tunable light sources are used to remove a valence electron from an atom of selected atomic number, Z. If appropriate lasers are used as the light source, one electron can be removed from each atom of the selected Z in the laser pulse. This implies that RIS can be a very efficient, as well as selective, ionization process. In what we normally call RIS, laser schemes are employed which preserve both of these features. In contrast, multiphoton ionization (MPI) is more general, although not necessarily Z selective or very efficient because resonances are often not used. Early research completed in the USSR and described as selective two-step photoionization, employed resonances to ionize the rubidium atom and served to guide work on laser isotope separation. 29 references, 8 figures.

  4. Ionization photophysics and spectroscopy of dicyanoacetylene

    Energy Technology Data Exchange (ETDEWEB)

    Leach, Sydney, E-mail: Sydney.Leach@obspm.fr, E-mail: Martin.Schwell@lisa.u-pec.fr; Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Schwell, Martin, E-mail: Sydney.Leach@obspm.fr, E-mail: Martin.Schwell@lisa.u-pec.fr; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire [LISA UMR CNRS 7583, Université Paris-Est Créteil and Université Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du Général de Gaulle, 94010 Créteil (France); Garcia, Gustavo A.; Gaie-Levrel, François [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, B.P. 48, 91192 Gif-sur-Yvette Cedex (France); Guillemin, Jean-Claude [Institut des Sciences Chimiques de Rennes, Ecole Nationale Supérieure de Chimie de Rennes, CNRS UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France)

    2013-11-14

    Photoionization of dicyanoacetylene was studied using synchrotron radiation over the excitation range 8–25 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and detailed spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of dicyanoacetylene was measured as 11.80 ± 0.01 eV. A detailed analysis of the cation spectroscopy involves new aspects and new assignments of the vibrational components to excitation of the quasi-degenerate A{sup 2}Π{sub g}, B{sup 2}Σ{sub g}{sup +} states as well as the C{sup 2}Σ{sub u}{sup +} and D{sup 2}Π{sub u} states of the cation. Some of the structured autoionization features observed in the 12.4–15 eV region of the total ion yield spectrum were assigned to vibrational components of valence shell transitions and to two previously unknown Rydberg series converging to the D{sup 2}Π{sub u} state of C{sub 4}N{sub 2}{sup +}. The appearance energies of the fragment ions C{sub 4}N{sup +}, C{sub 3}N{sup +}, C{sub 4}{sup +}, C{sub 2}N{sup +}, and C{sub 2}{sup +} were measured and their heats of formation were determined and compared with existing literature values. Thermochemical calculations of the appearance potentials of these and other weaker ions were used to infer aspects of dissociative ionization pathways.

  5. Spectroscopy of ultracold LiRb molecules using ionization detection

    Science.gov (United States)

    Altaf, Adeel

    We present spectroscopic studies of ultracold LiRb molecules using ionization detection. The molecules are created by cooling and trapping Li and Rb atoms in overlapping magneto-optical traps (MOTs) and using light resonant with a free-bound transition to create weakly bound excited state molecules in a process known as photoassociation (PA). We explore weakly bound vibrational levels of LiRb with PA spectroscopy using ionization detection and, where possible, compare our results with earlier measurements performed in our lab using trap-loss spectroscopy. In addition, we also probe vibrational levels of the ground triplet electronic state and excited electronic states using resonantly enhanced multiphoton ionization (REMPI) spectroscopy. We identify several vibrational levels of the alpha3Sigma+, (3)3piO and (4)3Sigma + states and compare our observations with theoretical calculations. As LiRb is one of the least studied heteronuclear diatomic molecules, these studies are aimed towards exploring the molecular structure. The spectroscopic work is also in line with the long-term project goals of transferring ultracold LiRb molecules into the lowest rotational and vibrational levels of the ground singlet electronic state. Molecules in this rovibronic ground state possess a large electric dipole moment, which is essential for application of ultracold molecules in various quantum computation schemes. The rovibronic ground state will also be an ideal starting point for investigating molecular entangled states.

  6. Collinear resonance ionization spectroscopy of radium ions

    CERN Multimedia

    We propose to study the neutron-deficient radium isotopes with high-resolution collinear resonance ionization spectroscopy. Probing the hyperfine structure of the $7{s}\\,^2\\!{S}\\!_{1/2}\\,\\rightarrow\\,7{p}\\,^{2}\\!{P}\\!_{1/2}$ and $7{s}\\,^{2}\\!{S}\\!_{1/2}\\,\\rightarrow\\,7{p}\\,^{2}\\!{P}\\!_{3/2}$ transitions in Ra II will provide atomic-structure measurements that have not been achieved for $^{{A}<208}$Ra. Measurement of the $7{s}\\,^{2}\\!{S}\\!_{1/2}\\,\\rightarrow\\,7{p}\\,^{2}\\!{P}\\!_{3/2}$ transition in $^{{A}<214}$Ra will allow the spectroscopic quadrupole moments to be directly measured for the first time. In addition, the technique will allow tentative spin assignments to be confirmed and the magnetic dipole moments measured for $^{\\textit{A}<208}$Ra. Measurement of the hyperfine structure (in particular the isotope shifts) of the neutron-deficient radium will provide information to further constrain the nuclear models away from the N=126 shell closure.

  7. Ionization photophysics and spectroscopy of cyanoacetylene

    Energy Technology Data Exchange (ETDEWEB)

    Leach, Sydney; Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Garcia, Gustavo A.; Fray, Nicolas; Gaie-Levrel, François [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, B.P. 48, 91192, Gif-sur-Yvette Cedex (France); Mahjoub, Ahmed; Bénilan, Yves; Gazeau, Marie-Claire; Schwell, Martin [LISA UMR CNRS 7583, Université Paris Est Créteil and Université Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du Général de Gaulle, 94010 Créteil (France)

    2014-05-07

    Photoionization of cyanoacetylene was studied using synchrotron radiation over the non-dissociative ionization excitation range 11–15.6 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of cyanoacetylene was measured as 11.573 ± 0.010 eV. A detailed analysis of photoelectron spectra of HC{sub 3}N involves new aspects and new assignments of the vibrational components to excitation of the A{sup 2}Σ{sup +} and B{sup 2}Π states of the cation. Some of the structured autoionization features observed in the 11.94 to 15.5 eV region of the total ion yield (TIY) spectrum were assigned to two Rydberg series converging to the B{sup 2}Π state of HC{sub 3}N{sup +}. A number of the measured TIY features are suggested to be vibrational components of Rydberg series converging to the C{sup 2}Σ{sup +} state of HC{sub 3}N{sup +} at ≈17.6 eV and others to valence shell transitions of cyanoacetylene in the 11.6–15 eV region. The results of quantum chemical calculations of the cation electronic state geometries, vibrational frequencies and energies, as well as of the C–H dissociation potential energy profiles of the ground and electronic excited states of the ion, are compared with experimental observations. Ionization quantum yields are evaluated and discussed and the problem of adequate calibration of photoionization cross-sections is raised.

  8. Ionization photophysics and spectroscopy of cyanoacetylene

    Science.gov (United States)

    Leach, Sydney; Garcia, Gustavo A.; Mahjoub, Ahmed; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire; Gaie-Levrel, François; Champion, Norbert; Schwell, Martin

    2014-05-01

    Photoionization of cyanoacetylene was studied using synchrotron radiation over the non-dissociative ionization excitation range 11-15.6 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of cyanoacetylene was measured as 11.573 ± 0.010 eV. A detailed analysis of photoelectron spectra of HC3N involves new aspects and new assignments of the vibrational components to excitation of the A2Σ+ and B2Π states of the cation. Some of the structured autoionization features observed in the 11.94 to 15.5 eV region of the total ion yield (TIY) spectrum were assigned to two Rydberg series converging to the B2Π state of HC3N+. A number of the measured TIY features are suggested to be vibrational components of Rydberg series converging to the C2Σ+ state of HC3N+ at ≈17.6 eV and others to valence shell transitions of cyanoacetylene in the 11.6-15 eV region. The results of quantum chemical calculations of the cation electronic state geometries, vibrational frequencies and energies, as well as of the C-H dissociation potential energy profiles of the ground and electronic excited states of the ion, are compared with experimental observations. Ionization quantum yields are evaluated and discussed and the problem of adequate calibration of photoionization cross-sections is raised.

  9. Nuclear Fission Investigation with Twin Ionization Chamber

    Science.gov (United States)

    Zeynalova, O.; Zeynalov, Sh.; Nazarenko, M.; Hambsch, F.-J.; Oberstedt, S.

    2011-11-01

    The purpose of the present paper was to report the recent results, obtained in development of digital pulse processing mathematics for prompt fission neutron (PFN) investigation using twin ionization chamber (TIC) along with fast neutron time-of-flight detector (ND). Due to well known ambiguities in literature (see refs. [4, 6, 9 and 11]), concerning a pulse induction on TIC electrodes by FF ionization, we first presented detailed mathematical analysis of fission fragment (FF) signal formation on TIC anode. The analysis was done using Ramo-Shockley theorem, which gives relation between charged particle motion between TIC electrodes and so called weighting potential. Weighting potential was calculated by direct numerical solution of Laplace equation (neglecting space charge) for the TIC geometry and ionization, caused by FF. Formulae for grid inefficiency (GI) correction and digital pulse processing algorithms for PFN time-of-flight measurements and pulse shape analysis are presented and discussed.

  10. Ionization photophysics and Rydberg spectroscopy of diacetylene

    KAUST Repository

    Schwell, Martin

    2012-11-01

    Photoionization of diacetylene was studied using synchrotron radiation over the range 8-24 eV, with photoelectron-photoion coincidence (PEPICO) and threshold photoelectron-photoion coincidence (TPEPICO) techniques. Mass spectra, ion yields, total and partial ionization cross-sections were measured. The adiabatic ionization energy of diacetylene was determined as IE ad=(10.17±0.01) eV, and the appearance energy of the principal fragment ion C4H+ as AE=(16.15±0.03) eV. Calculated appearance energies of other fragment ions were used to infer aspects of dissociation pathways forming the weaker fragment ions C+ 4, C3H+, C+3 and C 4H+. Structured autoionization features observed in the PEPICO spectrum of diacetylene in the 11-13 eV region were assigned to vibrational components of three new Rydberg series, R1(nsσg, n=4-11), R2(ndσg, n=4-7) and R3(ndδg, n=4-6) converging to the A2Πu state of the cation, and to a new series R01(nsσg, n=3) converging to the B\\' 2Σ+u state of the cation. The autoionization mechanisms and their consistence with specific selection rules are discussed. © 2012 Taylor and Francis.

  11. Measurement of the first ionization potential of astatine by laser ionization spectroscopy

    CERN Document Server

    Rothe, S; Antalic, S; Borschevsky, A; Capponi, L; Cocolios, T E; De Witte, H; Eliav, E; Fedorov, D V; Fedosseev, V N; Fink, D A; Fritzsche, S; Ghys, L; Huyse, M; Imai, N; Kaldor, U; Kudryavtsev, Yu; Köster, U; Lane, J; Lassen, J; Liberati, V; Lynch, K M; Marsh, B A; Nishio, K; Pauwels, D; Pershina, V; Popescu, L; Procter, T J; Radulov, D; Raeder, S; Rajabali, M M; Rapisarda, E; Rossel, R E; Sandhu, K; Seliverstov, M D; Sjödin, A M; Van den Bergh, P; Van Duppen, P; Venhart, M; Wakabayashi, Y; Wendt K D A

    2013-01-01

    The radioactive element astatine exists only in trace amounts in nature. Its properties can therefore only be explored by study of smallest quantities of artificially produced isotopes or by performing theoretical calculations. One of the most important properties influencing the chemical behaviour is the energy required to remove one electron from the valence shell, referred to as the ionization potential. Here we use laser spectroscopy to probe the optical spectrum of astatine near the ionization threshold. The observed series of Rydberg states enabled the first determination of the ionization potential of the astatine atom, 9.317510(8) eV. New ab initio calculations were performed to support the experimental result. The measured value serves as a benchmark for quantum chemistry calculations of the properties of astatine as well as for the theoretical prediction of the ionization potential of super-heavy element 117, the heaviest homologue of astatine.

  12. Resonance Raman Spectroscopy of Free Radicals Produced by Ionizing Radiation

    DEFF Research Database (Denmark)

    Wilbrandt, Robert Walter

    1984-01-01

    Applications of time-resolved resonance Raman spectroscopy to the study of short-lived free radicals produced by ionizing radiation are briefly reviewed. Potential advantages and limitations of this technique are discussed in the light of given examples. The reduction of p-nitrobenzylchloride and......Applications of time-resolved resonance Raman spectroscopy to the study of short-lived free radicals produced by ionizing radiation are briefly reviewed. Potential advantages and limitations of this technique are discussed in the light of given examples. The reduction of p......-nitrobenzylchloride and subsequent formation of the p-nitrobenzyl radical and the reaction of p-nitrotoluene with O– are studied by resonance Raman and optical absorption spectroscopy....

  13. Collinear Resonance Ionization Spectroscopy of Neutron-Deficient Francium Isotopes

    CERN Document Server

    Flanagan, K T; Ruiz, R F Garcia; Budincevic, I; Procter, T J; Fedosseev, V N; Lynch, K M; Cocolios, T E; Marsh, B A; Neyens, G; Strashnov, I; Stroke, H H; Rossel, R E; Heylen, H; Billowes, J; Rothe, S; Bissell, M L; Wendt, K D A; de Groote, R P; De Schepper, S

    2013-01-01

    The magnetic moments and isotope shifts of the neutron-deficient francium isotopes Fr202-205 were measured at ISOLDE-CERN with use of collinear resonance ionization spectroscopy. A production-to-detection efficiency of 1\\% was measured for Fr-202. The background from nonresonant and collisional ionization was maintained below one ion in 10(5) beam particles. Through a comparison of the measured charge radii with predictions from the spherical droplet model, it is concluded that the ground-state wave function remains spherical down to Fr-205, with a departure observed in Fr-203 (N = 116).

  14. Resonance ionization spectroscopy using ultraviolet laser

    CERN Document Server

    Han, J M; Ko, D K; Park, H M; Rhee, Y J

    2002-01-01

    In this study, Ti:sapphire laser which is pumped by the enhanced Nd:YAG laser using laser diode, was designed and manufactured. The AO Q-switched CW Nd:YAG laser was converted into a high repetition plus-type laser using the AO Q-switch, and two heads were installed inside the cavity in order to improve the laser beam quality. The Nd:YAG laser enhancement was completed by optimization using a simulation for the cavity length, structure and thermal lens effect that greatly effected the laser beam output and quality. As the result of the enhancement, a 30W laser at 532nm and at 5k-Hz was successfully made. Also, the Ti:sapphire laser that will be used for atomic spectroscopy which is pumped by the Nd:YAG laser, was completely designed. As a basic experiment for laser oscillation. We measured the tunability of the laser, and it turned out that the wave tunability range was 730 850 nm. A self-seeding type tunable laser using grating for narrow line width, is planned to be designed due to the fact that the Ti:sapp...

  15. Two-step laser ionization schemes for in-gas laser ionization and spectroscopy of radioactive isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Kudryavtsev, Yu., E-mail: yuri.kudryavtsev@fys.kuleuven.be; Ferrer, R.; Huyse, M.; Van den Bergh, P.; Van Duppen, P. [Instituut voor Kern- en Stralingsfysica, KU Leuven, 3001 Leuven (Belgium); Vermeeren, L. [SCK-CEN, Nuclear Research Centre, Boeretang 200, B-2400 Mol (Belgium)

    2014-02-15

    The in-gas laser ionization and spectroscopy technique has been developed at the Leuven isotope separator on-line facility for the production and in-source laser spectroscopy studies of short-lived radioactive isotopes. In this article, results from a study to identify efficient optical schemes for the two-step resonance laser ionization of 18 elements are presented.

  16. Determination of the first ionization potential of actinides by resonance ionization mass spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Koehler, S. [Institut fuer Kernchemie Universitaet Mainz, Mainz (Germany); Albus, F. [Institu fuer Physik, Universitaet Mainz, Mainz (Germany); Dibenberger, R.; Erdmann, N.; Funk, H. [Institut fuer Kernchemiess Universitaet Mainz, Mainz (Germany); Hasse, H. [Institut fuer Physik, Universitaet Mainz, Mainz (Germany); Herrmann, G. [Institut fuer Kernchemiess Universitaet Mainz, Mainz (Germany); Huber, G.; Kluge, H.; Nunnemann, M.; Passler, G. [Institut fuer Physik, Universitaet Mainz, Mainz (Germany); Rao, P.M. [Bhabha Atomic Research Centre Bombay (India); Riegel, J.; Trautmann, N. [Institut fuer Kernchemie Universitaet Mainz, Mainz (Germany); Urban, F. [Institut fuer Physik, Universitaet Mainz, Mainz (Germany)

    1995-04-01

    Resonance ionization mass spectroscopy (RIMS) is used for the precise determination of the first ionization potential of transuranium elements. The first ionization potentials (IP) of americium and curium have been measured for the first time to IP{sub {ital Am}}=5.9738(2) and IP{sub {ital Cm}}=5.9913(8) eV, respectively, using only 10{sup 12} atoms of {sup 243}Am and {sup 248}Cm. The same technique was applied to thorium, neptunium, and plutonium yielding IP{sub T{sub H}}=6.3067(2), IP{sub N{sub P}}=6.2655(2), and IP{sub {ital Pu}}=6.0257(8) eV. The good agreement of our results with the literature data proves the precision of the method which was additionally confirmed by the analysis of Rydberg seris of americium measured by RIMS. {copyright}American Institute of Physics 1995

  17. Characterization of a Continuous Wave Laser for Resonance Ionization Mass Spectroscopy Analysis in Nuclear Forensics

    Science.gov (United States)

    2015-06-01

    OF A CONTINUOUS WAVE LASER FOR RESONANCE IONIZATION MASS SPECTROSCOPY ANALYSIS IN NUCLEAR FORENSICS by Sunny G. Lau June 2015 Thesis...IONIZATION MASS SPECTROSCOPY ANALYSIS IN NUCLEAR FORENSICS 5. FUNDING NUMBERS 6. AUTHOR(S) Sunny G. Lau 7. PERFORMING ORGANIZATION NAME(S) AND...200 words) The application of resonance ionization mass spectroscopy (RIMS) to nuclear forensics involves the use of lasers to selectively ionize

  18. Correlation-driven charge migration following double ionization and attosecond transient absorption spectroscopy

    Science.gov (United States)

    Hollstein, Maximilian; Santra, Robin; Pfannkuche, Daniela

    2017-05-01

    We theoretically investigate charge migration following prompt double ionization. Thereby, we extend the concept of correlation-driven charge migration, which was introduced by Cederbaum and coworkers for single ionization [Chem. Phys. Lett. 307, 205 (1999), 10.1016/S0009-2614(99)00508-4], to doubly ionized molecules. This allows us to demonstrate that compared to singly ionized molecules, in multiply ionized molecules, electron dynamics originating from electronic relaxation and correlation are particularly prominent. In addition, we also discuss how these correlation-driven electron dynamics might be evidenced and traced experimentally using attosecond transient absorption spectroscopy. For this purpose, we determine the time-resolved absorption cross section and find that the correlated electron dynamics discussed are reflected in it with exceptionally great detail. Strikingly, we find that features in the cross section can be traced back to electron hole populations and time-dependent partial charges and hence, can be interpreted with surprising ease. By taking advantage of element-specific core-to-valence transitions even atomic spatial resolution can be achieved. Thus, with the theoretical considerations presented, not only do we predict particularly diverse and correlated electron dynamics in molecules to follow prompt multiple ionization but we also identify a promising route towards their experimental investigation.

  19. Solvation of Lithium Irons in Mixed Organic Electrolyte Solutions by Electrospray Ionization Mass Spectroscopy

    OpenAIRE

    MATSUDA, Yoshiharu; FUKUSHIMA, Tsuyoshi; Hashimoto, Hiroyuki; ARAKAWA, Ryuichi

    2002-01-01

    Solvation of lithium ions in mixed organic electrolyte solutions for secondary lithium batteries was investigated by electrospray ionization mass spectroscopy. The electrolyte solutions were mixed binary solutions of diethyl carbonate (DEC), dimethyl carbonate (DMC), ethylene carbonate (EC),γ-butyrolactone (GBL), and propylene carbonate (PC) containing LiClO4. Lithium ions solvated mainly to two solvent molecules. The order of the inclination of the solvent molecules solvating to lithium ions...

  20. 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.

  1. Multiphoton Ionization Detection in Collinear Laser Spectroscopy of Isolde Beams

    CERN Multimedia

    2002-01-01

    The experiments using the multiphoton ionization technique have been continued in the beginning of 1990 with stable beam tests on the modified apparatus and with another radioactive beam time on Yb. Higher laser power and an increased vacuum in the ionization region (see figure) yielded a further gain in sensitivity, mainly due to the better suppression of the background ions produced in rest gas collisions. For even Yb isotopes we have now reached a detection efficiency of $\\epsilon$~=~1~x~10$^{-5}$ ions per incoming atom at a background count rate of 30~ions from a beam of 5~x~10$^9$. This sensitivity was high enough for spectroscopy on $^{157}$Yb, where the typical ISOLDE yield of 5~x~10$^7$Yb ions is covered by an isobaric contamination of more than 10$^{10}$ ions. Measurements have also been performed on $^{175}$Yb. These give the first precise value for the magnetic moment of this isotope, $\\mu$~=~0.766(8)$ mu _{N} $, which agrees rather well with the magnetic moment of the isotone $^{177}$Hf. The isoto...

  2. Collinear resonant ionization laser spectroscopy of rare francium isotopes

    CERN Multimedia

    Neyens, G; Flanagan, K; Rajabali, M M; Le blanc, F M; Ware, T; Procter, T J

    2008-01-01

    We propose a programme of collinear resonant ionization spectroscopy (CRIS) of the francium isotopes up to and including $^{201}$Fr and $^{218,219}$Fr. This work aims at answering questions on the ordering of quantum states, and effect of the ($\\pi s_{1/2}^{-1}$)1/2$^{+}$ intruder state, which is currently believed to be the ground state of $^{199}$Fr. This work will also study the edge of the region of reflection asymmetry through measurement of the moments and radii of $^{218,219}$Fr. This proposal forms the first part of a series of experiments that will study nuclei in this region of the nuclear chart. Based on the success of this initial proposal it is the intention of the collaboration to perform high resolution measurements on the isotopes of radium and radon that surround $^{201}$Fr and $^{218}$Fr and thus providing a comprehensive description of the ground state properties of this region of the nuclear chart. Recent in-source spectroscopy measurements of lead, bismuth and polonium have demonstrated a...

  3. Ionization Chamber for Prompt Fission Neutron Investigations

    OpenAIRE

    ZEYNALOV Sh.; ZEYNALOVA O. V.; Hambsch, Franz-Josef; Sedyshev, P.; SHVETSOV V.

    2014-01-01

    In this work we report recent achievements in design of twin back-to-back ionization chamber (TIC) for fission fragment (FF) mass and kinetic energy measurement. Correlated FF kinetic energies, their masses and the angle of FF in respect to the axes in 3D Cartesian coordinates can be determined from analysis of the heights and shapes of the pulses induced by the fission fragments on the anodes of TIC. Anodes of TIC were designed as consisting of isolated strips each having independent electro...

  4. Intracellular protein mass spectroscopy using mid-infrared laser ionization

    Science.gov (United States)

    Awazu, K.; Suzuki, S.

    2007-07-01

    Large-scale analysis of proteins, which can be regarded as functional biomolecule, assumes an important role in the life science. A MALDI using an ultraviolet laser (UV-MALDI) is one of ionization methods without fragmentation and has achieved conformation analysis of proteins. Recently, protein analysis has shifted from conformation analysis to functional and direct one that reserves posttranslational modifications such as the sugar chain addition and phosphorylation. We have proposed a MALDI using a mid-infrared tunable laser (IR-MALDI) as a new ionization method. IR-MALDI is promising because most biomolecules have a specific absorption in mid-infrared range, and IR-MALDI is expected to offer; (1) use of various matrices, (2) use of biomolecules such as water and lipid as the matrix, and (3) super-soft ionization. First, we evaluated the wavelength dependence of ionization of different matrices using a difference frequency generation (DFG) laser, which can tune the wavelength within a range from 5.5 to 10.0 μm. As results, ionization was specifically occurred at 5.8 μm which the C=O vibration stretching bond in matrix material and mass spectrum was observed. Next, protein mass spectrum was observed in the culture cells, MIN6, which secrete insulin, without the conventional cell-preparation processes. We demonstrate that the IR-MALDI has an advantage over the conventional method (UV-MALDI) in direct analysis of intracellular proteins.

  5. High resolution collinear resonance ionization spectroscopy of neutron-rich $^{76,77,78}$Cu isotopes

    CERN Document Server

    De Groote, Ruben Pieter

    In this work, nuclear magnetic dipole moments, electric quadrupole moments, nuclear spins and changes in the mean-squared charge radii of radioactive copper isotopes are presented. Reaching up to $^{78}$Cu ($Z=29$, $N=49$), produced at rates of only 10 particles per second, these measurements represent the most exotic laser spectroscopic investigations near the doubly-magic and very exotic $^{78}$Ni ($Z=28$,$N=50$) to date. This thesis outlines the technical developments and investigations of laser-atom interactions that were performed during this thesis. These developments were crucial for establishing a high-resolution, high sensitivity collinear resonance ionization spectroscopy experiment at ISOLDE, CERN. This thesis furthermore provides a detailed description of the analysis tools that were implemented and applied to extract the nuclear observables from the experimental data. The results were compared to several large-scale shell model calculations, and provide deep insight into the structure of $^{78}$N...

  6. Resonant two-photon ionization spectroscopy of Al atoms and dimers solvated in helium nanodroplets

    Energy Technology Data Exchange (ETDEWEB)

    Krasnokutski, Serge A.; Huisken, Friedrich [Laboratory Astrophysics Group of the Max Planck Institute for Astronomy at the Friedrich Schiller University Jena, Institute of Solid State Physics, Helmholtzweg 3, D-07743 Jena (Germany)

    2015-02-28

    Resonant two-photon ionization (R2PI) spectroscopy has been applied to investigate the solvation of Al atoms in helium droplets. The R2PI spectra reveal vibrational progressions that can be attributed to Al–He{sub n} vibrations. It is found that small helium droplets have very little chance to pick up an aluminum atom after collision. However, the pick-up probability increases with the size of the helium droplets. The absorption band that is measured by monitoring the ions on the mass of the Al dimer is found to be very little shifted with respect to the Al monomer band (∼400 cm{sup −1}). However, using the same laser wavelength, we were unable to detect any Al{sub n} photoion with n larger than two.

  7. Resonant two-photon ionization spectroscopy of Al atoms and dimers solvated in helium nanodroplets.

    Science.gov (United States)

    Krasnokutski, Serge A; Huisken, Friedrich

    2015-02-28

    Resonant two-photon ionization (R2PI) spectroscopy has been applied to investigate the solvation of Al atoms in helium droplets. The R2PI spectra reveal vibrational progressions that can be attributed to Al-He(n) vibrations. It is found that small helium droplets have very little chance to pick up an aluminum atom after collision. However, the pick-up probability increases with the size of the helium droplets. The absorption band that is measured by monitoring the ions on the mass of the Al dimer is found to be very little shifted with respect to the Al monomer band (∼400 cm(-1)). However, using the same laser wavelength, we were unable to detect any Al(n) photoion with n larger than two.

  8. Laser resonance ionization spectroscopy on lutetium for the MEDICIS project

    Energy Technology Data Exchange (ETDEWEB)

    Gadelshin, V., E-mail: gadelshin@uni-mainz.de [University of Mainz, Institute of Physics (Germany); Cocolios, T. [KU Leuven, Institute for Nuclear and Radiation Physics (Belgium); Fedoseev, V. [CERN, EN Department (Switzerland); Heinke, R.; Kieck, T. [University of Mainz, Institute of Physics (Germany); Marsh, B. [CERN, EN Department (Switzerland); Naubereit, P. [University of Mainz, Institute of Physics (Germany); Rothe, S.; Stora, T. [CERN, EN Department (Switzerland); Studer, D. [University of Mainz, Institute of Physics (Germany); Duppen, P. Van [KU Leuven, Institute for Nuclear and Radiation Physics (Belgium); Wendt, K. [University of Mainz, Institute of Physics (Germany)

    2017-11-15

    The MEDICIS-PROMED Innovative Training Network under the Horizon 2020 EU program aims to establish a network of early stage researchers, involving scientific exchange and active cooperation between leading European research institutions, universities, hospitals, and industry. Primary scientific goal is the purpose of providing and testing novel radioisotopes for nuclear medical imaging and radionuclide therapy. Within a closely linked project at CERN, a dedicated electromagnetic mass separator system is presently under installation for production of innovative radiopharmaceutical isotopes at the new CERN-MEDICIS laboratory, directly adjacent to the existing CERN-ISOLDE radioactive ion beam facility. It is planned to implement a resonance ionization laser ion source (RILIS) to ensure high efficiency and unrivaled purity in the production of radioactive ions. To provide a highly efficient ionization process, identification and characterization of a specific multi-step laser ionization scheme for each individual element with isotopes of interest is required. The element lutetium is of primary relevance, and therefore was considered as first candidate. Three two-step excitation schemes for lutetium atoms are presented in this work, and spectroscopic results are compared with data of other authors.

  9. Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: An investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy

    Science.gov (United States)

    Gardner, Adrian M.; Tuttle, William D.; Groner, Peter; Wright, Timothy G.

    2017-03-01

    For the first time, a molecular symmetry group (MSG) analysis has been undertaken in the investigation of the electronic spectroscopy of p-xylene (p-dimethylbenzene). Torsional and vibration-torsional (vibtor) levels in the S1 state and ground state of the cation of p-xylene are investigated using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. In the present work, we concentrate on the 0-350 cm-1 region, where there are a number of torsional and vibtor bands and we discuss the assignment of this region. In Paper II [W. D. Tuttle et al., J. Chem. Phys. 146, 124309 (2017)], we examine the 350-600 cm-1 region where vibtor levels are observed as part of a Fermi resonance. The similarity of much of the observed spectral activity to that in the related substituted benzenes, toluene and para-fluorotoluene, is striking, despite the different symmetries. The discussion necessitates a consideration of the MSG of p-xylene, which has been designated G72, but we shall also designate [{3,3}]D2h and we include the symmetry operations, character table, and direct product table for this. We also discuss the symmetries of the internal rotor (torsional) levels and the selection rules for the particular electronic transition of p-xylene investigated here.

  10. Two-dimensional Penning ionization electron spectroscopy of open-shell metallocenes: outer valence ionic states of vanadocene and nickelocene.

    Science.gov (United States)

    Kishimoto, Naoki; Kimura, Miku; Ohno, Koichi

    2013-04-11

    In order to investigate outer valence ionic states of open-shell metallocenes, we have applied two-dimensional collision-energy/electron-energy-resolved Penning ionization electron spectroscopy (2D-PIES) upon collision with metastable He*(2(3)S) excited atoms as well as a high level ab initio molecular orbital calculation (the partial third-order quasiparticle theory of the electron propagator (P3)) to ionization from neutral ground states of vanadocene ((4)A2g) and nickelocene ((3)A2g). Assignments of observed Penning ionization electron/He I ultraviolet photoelectron spectra were consistent with the P3 calculation results for ionization of α and β spin electrons except for electron correlation bands observed by PIES. Negative collision energy dependence of partial Penning ionization cross-sections (CEDPICS) indicate attractive interaction with He*(2(3)S) around the molecule. Results by model potential calculation utilizing Li(2(2)S) instead of He*(2(3)S) for interaction between He*(2(3)S) and open-shell metallocenes do not explain the strong negative CEDPICS of the bands observed in PIES.

  11. Gridded Ionization Chambers for Time Resolved X-Ray Absorption Spectroscopy

    Science.gov (United States)

    Müller, O.; Stötzel, J.; Lützenkirchen-Hecht, D.; Frahm, R.

    2013-03-01

    Common parallel plate ionization chambers are bandwidth limited by the ion drift velocity. Therefore they can severely decrease the effective energy resolution of time resolved EXAFS or XANES spectra. We therefore developed gridded ionization chambers which suppress the ionic component of the ionization current, which results in a substantial improvement of its bandwidth of typically two orders of magnitude. The rise time of these chambers is measured to be less than 5.5 μs. We have investigated the step response of parallel plate and gridded ionization chambers and discuss their influence on QEXAFS spectra.

  12. Investigation of critical parameters controlling the efficiency of associative ionization

    Science.gov (United States)

    Le Padellec, A.; Launoy, T.; Dochain, A.; Urbain, X.

    2017-05-01

    This paper compiles our merged-beam experimental findings for the associative ionization (AI) process from charged reactants, with the aim of guiding future investigations with e.g. the double electrostatic ion storage ring DESIREE in Stockholm. A reinvestigation of the isotopic effect in H-(D-) + He+ collisions is presented, along with a review of {{{H}}}3+ and NO+ production by AI involving ion pairs or excited neutrals, and put in perspective with the mutual neutralization and radiative association reactions. Critical parameters are identified and evaluated for their systematic role in controlling the magnitude of the cross section: isotopic substitution, exothermicity, electronic state density, and spin statistics.

  13. Resonance Ionization Spectroscopy of Cesium Atoms in a Cesium Heat Pipe

    Science.gov (United States)

    Ardis, Robert G.; Gardner, Bernard W.; Smith, R. Seth

    1997-11-01

    A Cesium Heat Pipe has been constructed to produce a cesium metal vapor for use in laser spectroscopy. The heat pipe consists of a 24 inch stainless steel pipe with 2 inch diameter calcium fluoride windows on each end. Electric heaters are used to control the cesium vapor pressure. An argon buffer gas is used to maintain high transmittance through the end windows. Sensors are used to monitor both temperature and pressure. A Nd:YAG-pumped dye laser system is used to probe the cesium atoms via resonance ionization spectroscopy. Details of the construction of the heat pipe and the experimental setup will be presented. The results of the resonance ionization spectroscopy will be discussed. This experimental setup can be utilized with undergraduates in courses such as Optics, Laser Physics, and Senior Laboratory/Research.

  14. Multiphoton ionization photoelectron spectroscopy of xenon: Experiment and theory

    Energy Technology Data Exchange (ETDEWEB)

    Bajic, S.J.; Compton, R.N.; Tang, X.; L' Huiller, A.; Lambropoulos, P.

    1988-11-01

    Photoelectron energy and angular distributions for resonantly enhanced multiphoton ionization (REMPI) of xenon via the three-photon-allowed 7s(3/2)/sub 1//sup 0/ and 5d(3/2)/sub 1//sup 0/ states have been studied both experimentally and theoretically. The electron kinetic energy spectra give the probability of leaving Xe/sup +/ in either the /sup 2/P/sub 1/2/ or /sup 2/P/sub 3/2/ core. The measured branching ratio for leaving each ionic core is used to test the theoretical description of the REMPI process. Measurements of both the angular distributions and the (3+1) REMPI via the 5d state are adequately reproduced by multichannel quantum defect theory. However, measurements of angular distributions for the electrons resulting from (3+1) via the 7s(3/2)/sub 1//sup 0/ state into Xe/sup +/ /sup 2/P/sub 3/2/ (core preserving) or Xe/sup +/ /sup 2/P/sub 1/2/ (core changing) are in striking disagreement with theory. 1 ref., 2 figs.

  15. Mass-analyzed threshold ionization (MATI) spectroscopy of atoms and molecules using VUV synchrotron radiation.

    Science.gov (United States)

    Kostko, Oleg; Kim, Sang Kyu; Leone, Stephen R; Ahmed, Musahid

    2009-12-31

    Mass-analyzed threshold ionization (MATI) spectroscopy using synchrotron radiation (Advanced Light Source, Lawrence Berkeley National Laboratory) has been performed for Ar, N(2), O(2), N(2)O, H(2)O, C(2)H(2), and C(6)H(6). MATI allows for a better determination of ionization energies compared to those derived from photoionization efficiency curves traditionally used in synchrotron photoionization mass spectrometry. The separation of the long-lived Rydberg state from the directly formed prompt ion, essential for a meaningful MATI spectrum, has been accomplished by employing an arrangement of ion optics coupled to unique electric field pulsing schemes. For Ar, a number of resolved bands below the ionization energy are observed, and these are ascribed to high-n,l Rydberg states prepared in the MATI scheme. The first vibrational state resolved MATI spectra of N(2) and O(2) are reported, and spectral characteristics are discussed in comparison with previously reported threshold photoelectron spectroscopic studies. Although MATI performed with synchrotron radiation is intrinsically less sensitive compared to laser-based sources, this work demonstrates that MATI spectroscopy performed with widely tunable vacuum ultraviolet (VUV) radiation is a complementary technique for studying the ionization spectroscopy of polyatomic molecules.

  16. Wide-Area Interference Spectroscopy of the Ionized Gas Surrounding the OCL-352 (IC-1805) Stellar Association

    Science.gov (United States)

    Solomos, Nikolaos

    We investigated the global kinematics of the giant ionized shell IC1805 centred a (l,b)=(134.7deg,+0.92deg)at a distance of -2.3 Kpc and surrounding the Ocl352, within Cassiopeia OB6 stellar association. Fabry-Perot interference spectroscopy data in the light of [SIII]9530.9A have been used to obtain the radial velocity field of the IC1795/IC1805 (W3/W4) region as a means to probe the large scale gas motions around Cass Ocl-352. The observations are discussed and interpreted in conjuction with radioastronomical and optical data available. A new empirical model is proposed to account for the complex kinematical structure of the region. As was suggested by Solomos (Ph.D Thesis, 1991)the region is a leaking HII shell with the ionized gas flowing to the North escaping from the galactic plane.

  17. Studying the universality of field induced tunnel ionization times via high-order harmonic spectroscopy

    CERN Document Server

    Soifer, Hadas; Negro, Matteo; Devetta, Michele; Faccialà, Davide; Vozzi, Caterina; de Silvestri, Sandro; Stagira, Salvatore; Dudovich, Nirit

    2014-01-01

    High-harmonics generation spectroscopy is a promising tool for resolving electron dynamics and structure in atomic and molecular systems. This scheme, commonly described by the strong field approximation, requires a deep insight into the basic mechanism that leads to the harmonics generation. Recently, we have demonstrated the ability to resolve the first stage of the process -- field induced tunnel ionization -- by adding a weak perturbation to the strong fundamental field. Here we generalize this approach and show that the assumptions behind the strong field approximation are valid over a wide range of tunnel ionization conditions. Performing a systematic study -- modifying the fundamental wavelength, intensity and atomic system -- we observed a good agreement with quantum path analysis over a range of Keldysh parameters. The generality of this scheme opens new perspectives in high harmonics spectroscopy, holding the potential of probing large, complex molecular systems.

  18. Photoassociation spectroscopy in Penning ionization reactions at sub-Kelvin temperatures

    CERN Document Server

    Skomorowski, Wojciech; Narevicius, Edvardas; Koch, Christiane P

    2016-01-01

    Penning ionization reactions in merged beams with precisely controlled collision energies have been shown to accurately probe quantum mechanical effects in reactive collisions. A complete microscopic understanding of the reaction is, however, faced with two major challenges---the highly excited character of the reaction's entrance channel and the limited precision of even the best state-of-the-art ab initio potential energy surfaces. Here, we suggest photoassociation spectroscopy as a tool to identify the character of orbiting resonances in the entrance channel and probe the ionization width as a function of inter-particle separation. We introduce the basic concept and discuss the general conditions under which this type of spectroscopy will be successful.

  19. Towards high-resolution laser ionization spectroscopy of the heaviest elements in supersonic gas jet expansion

    Science.gov (United States)

    Ferrer, R.; Barzakh, A.; Bastin, B.; Beerwerth, R.; Block, M.; Creemers, P.; Grawe, H.; de Groote, R.; Delahaye, P.; Fléchard, X.; Franchoo, S.; Fritzsche, S.; Gaffney, L. P.; Ghys, L.; Gins, W.; Granados, C.; Heinke, R.; Hijazi, L.; Huyse, M.; Kron, T.; Kudryavtsev, Yu.; Laatiaoui, M.; Lecesne, N.; Loiselet, M.; Lutton, F.; Moore, I. D.; Martínez, Y.; Mogilevskiy, E.; Naubereit, P.; Piot, J.; Raeder, S.; Rothe, S.; Savajols, H.; Sels, S.; Sonnenschein, V.; Thomas, J-C; Traykov, E.; Van Beveren, C.; Van den Bergh, P.; Van Duppen, P.; Wendt, K.; Zadvornaya, A.

    2017-01-01

    Resonant laser ionization and spectroscopy are widely used techniques at radioactive ion beam facilities to produce pure beams of exotic nuclei and measure the shape, size, spin and electromagnetic multipole moments of these nuclei. However, in such measurements it is difficult to combine a high efficiency with a high spectral resolution. Here we demonstrate the on-line application of atomic laser ionization spectroscopy in a supersonic gas jet, a technique suited for high-precision studies of the ground- and isomeric-state properties of nuclei located at the extremes of stability. The technique is characterized in a measurement on actinium isotopes around the N=126 neutron shell closure. A significant improvement in the spectral resolution by more than one order of magnitude is achieved in these experiments without loss in efficiency. PMID:28224987

  20. Detailed Investigations of Interactions between Ionizing Radiation and Neutral Gases

    Energy Technology Data Exchange (ETDEWEB)

    Landers, Allen L

    2014-03-31

    We are investigating phenomena that stem from the many body dynamics associated with ionization of an atom or molecule by photon or charged particle. Our program is funded through the Department of Energy EPSCoR Laboratory Partnership Award in collaboration with Lawrence Berkeley National Laboratory. We are using variations on the well established COLTRIMS technique to measure ions and electrons ejected during these interactions. Photoionization measurements take place at the Advanced Light Source at LBNL as part of the ALS-COLTRIMS collaboration with the groups of Reinhard Dörner at Frankfurt and Ali Belkacem at LBNL. Additional experiments on charged particle impact are conducted locally at Auburn University where we are studying the dissociative molecular dynamics following interactions with either ions or electrons over a velocity range of 1 to 12 atomic units.

  1. Resonance Ionization Spectroscopy of Europium: The First Application of the PISA at ISOLDE-RILIS

    CERN Document Server

    AUTHOR|(CDS)2099873; Marsh, Bruce Alan

    The following work has been carried out at the radioactive ion beam facility ISOLDE at CERN. A compact atomic beam unit named PISA (Photo Ionization Spectroscopy Apparatus) has been implemented as a recent addition to the laboratory of the Resonance Ionization Laser Ion Source (RILIS). The scope of this thesis work was to demonstrate different applications of the PISA, using the existing and highly developed laser setup of the RILIS installation. In a demonstration of the suitability of PISA for ionization scheme development, a new ionization scheme for Europium has been developed. This resulted in the observation of several new autoionizing states and Rydberg series. Through the analysis of the observed Rydberg resonances a refined value of $45734.33(3)(3)$ cm$^{-1}$ for the ionization potential of the europium atom has been determined. In addition this thesis reports on the feasibility of the use of the PISA as a RILIS performance monitoring device during laser ion source operations. Finally the present wor...

  2. Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xue-Bin

    2017-01-30

    Ion specificity, a widely observed macroscopic phenomenon in condensed phases and at interfaces, is essentially a fundamental chemical physical issue. We have been investigating such effects using cluster models in an “atom-by-atom” and “molecule-by-molecule” fashion not possible with condensed-phase methods. We use electrospray ionization (ESI) to generate molecular and ionic clusters to simulate key molecular entities involved in local binding regions, and characterize them employing negative ion photoelectron spectroscopy (NIPES). Inter- and intramolecular interactions and binding configurations are directly obtained as functions of cluster size and composition, providing insightful molecular-level description and characterization over the local active sites that play crucial roles in determining solution chemistry and condensed phase phenomena. The topics covered in this article are relevant to a wide scope of research fields ranging from ion specific effects in electrolyte solutions, ion selectivity/recognition in normal functioning of life, to molecular specificity in aerosol particle formation, as well as in rational material design and synthesis.

  3. Resonance ionization scheme development for europium

    CERN Document Server

    Chrysalidis, K; Fedosseev, V N; Marsh, B A; Naubereit, P; Rothe, S; Seiffert, C; Kron, T; Wendt, K

    2017-01-01

    Odd-parity autoionizing states of europium have been investigated by resonance ionization spectroscopy via two-step, two-resonance excitations. The aim of this work was to establish ionization schemes specifically suited for europium ion beam production using the ISOLDE Resonance Ionization Laser Ion Source (RILIS). 13 new RILIS-compatible ionization schemes are proposed. The scheme development was the first application of the Photo Ionization Spectroscopy Apparatus (PISA) which has recently been integrated into the RILIS setup.

  4. Resonance ionization scheme development for europium

    Energy Technology Data Exchange (ETDEWEB)

    Chrysalidis, K., E-mail: katerina.chrysalidis@cern.ch; Goodacre, T. Day; Fedosseev, V. N.; Marsh, B. A. [CERN (Switzerland); Naubereit, P. [Johannes Gutenberg-Universität, Institiut für Physik (Germany); Rothe, S.; Seiffert, C. [CERN (Switzerland); Kron, T.; Wendt, K. [Johannes Gutenberg-Universität, Institiut für Physik (Germany)

    2017-11-15

    Odd-parity autoionizing states of europium have been investigated by resonance ionization spectroscopy via two-step, two-resonance excitations. The aim of this work was to establish ionization schemes specifically suited for europium ion beam production using the ISOLDE Resonance Ionization Laser Ion Source (RILIS). 13 new RILIS-compatible ionization schemes are proposed. The scheme development was the first application of the Photo Ionization Spectroscopy Apparatus (PISA) which has recently been integrated into the RILIS setup.

  5. Spectroscopy of the UO2+ cation and the delayed ionization of UO2

    Science.gov (United States)

    Merritt, Jeremy M.; Han, Jiande; Heaven, Michael C.

    2008-02-01

    Vibronically resolved spectra for the UO2+ cation have been recorded using the pulsed field ionization zero electron kinetic energy (PFI-ZEKE) technique. For the ground state, long progressions in both the bending and symmetric stretch vibrations were observed. Bend and stretch progressions of the first electronically excited state were also observed, and the origin was found at an energy of 2678cm-1 above the ground state zero-point level. This observation is consistent with a recent theoretical prediction [Infante et al., J. Chem. Phys. 127, 124308 (2007)]. The ionization energy for UO2, derived from the PFI-ZEKE spectrum, namely, 6.127(1)eV, is in excellent agreement with the value obtained from an earlier photoionization efficiency measurement. Delayed ionization of UO2 in the gas phase has been reported previously [Han et al., J. Chem. Phys. 120, 5155 (2004)]. Here, we extend the characterization of the delayed ionization process by performing a quantitative study of the ionization rate as a function of the energy above the ionization threshold. The ionization rate was found to be 5×106s-1 at threshold, and increased linearly with increasing energy in the range investigated (0-1200cm-1).

  6. Is there adequate ionization mechanism of the spontaneous transitions? Quantum-chemical investigation

    OpenAIRE

    Hovorun D. M.; Zhurakivsky R. O.; Brovarets’ O. O.

    2010-01-01

    Aim. To investigate theoretically the adequacy of the ionization mechanism of the spontaneous transitions appearance, using simple molecular models – DNA base pairs, one of which is ionized, and electroneutral and ionized DNA-like conformers of canonical nucleosides. Methods. Non-empirical quantum chemistry, physicochemical kinetics and analysis of the electron density by means of Bader’s atoms in molecules (AIM) theory were used. Results. It is established at base pairs that the ionization m...

  7. Investigation of the energy levels of the gadolinium atom using resonance ionization mass spectrometry

    CERN Document Server

    Kim, J T; Rhee, Y J; Lee, J M

    2000-01-01

    We have investigated the ionization processes, the energy values, and the strengths of ion signals by using a dye laser frequency in the ultra-violet range with one-color multi-photon ionization. Also, two color multi-photon ionization by using another near infrared photon has been done to investigate energy levels with odd-parity in the energy range of between 35500 cm sup - sup 1 and 37700 cm sup - sup 1

  8. Investigation of the sensitivity of ionization-type vacuum gauges

    Science.gov (United States)

    Holanda, R.

    1973-01-01

    A quantitative analysis of a large and representative sample of available data has been made to determine the best criteria for predicting the relative sensitivities of ionization-type vacuum gauges to different gases. The molecular property of the gas that correlates best with relative sensitivity is the ionization cross section (eV). For high-pressure ionization gauges, a cross section evaluated at 2/3 of the accelerating potential of the gauge is the best choice. For Bayard-Alpert and triode gauges, any of three choices are of approximately equal value. These are 100 eV cross section values, maximum cross section value for each gas, and a cross section evaluated at 2/3 of the accelerating potential for each gauge. For the Alphatron gauge, cross section values in the range 5000-10,000 eV provide the best correlation.

  9. Overview literature on matrix assisted laser desorption ionization mass spectroscopy (MALDI MS): basics and its applications in characterizing polymeric materials

    Indian Academy of Sciences (India)

    R N Jagtap; A H Ambre

    2005-10-01

    Matrix assisted laser desorption ionization mass spectroscopy (MALDI MS) is a technique which allows the measurement of molecular mass > 200,000 Daltons by ionization and vapourization without degradation. This technique is useful for the mass analysis of synthetic polymers, which have very low volatility. The basic principles of and its applications for polymer characterization have been discussed in this paper. In addition, the possibilities of combining MALDI MS with chromatographic and other analytical techniques have also been discussed.

  10. Efficient Ionization Investigation for Flow Control and Energy Extraction

    Science.gov (United States)

    Schneider, Steven J.; Kamhawi, Hani; Blankson, Isaiah M.

    2009-01-01

    Nonequilibrium ionization of air by nonthermal means is explored for hypersonic vehicle applications. The method selected for evaluation generates a weakly ionized plasma using pulsed nanosecond, high-voltage discharges sustained by a lower dc voltage. These discharges promise to provide a means of energizing and sustaining electrons in the air while maintaining a nearly constant ion/neutral molecule temperature. This paper explores the use of short approx.5 nsec, high-voltage approx.12 to 22 kV, repetitive (40 to 100 kHz) discharges in generating a weakly ionized gas sustained by a 1 kV dc voltage in dry air at pressures from 10 to 80 torr. Demonstrated lifetimes of the sustainer discharge current approx.10 to 25 msec are over three orders of magnitude longer than the 5 nsec pulse that generates the electrons. This life is adequate for many high speed flows, enabling the possibility of exploiting weakly ionized plasma phenomena in flow-fields such as those in hypersonic inlets, combustors, and nozzles. Results to date are obtained in a volume of plasma between electrodes in a bell jar. The buildup and decay of the visible emission from the pulser excited air is photographed on an ICCD camera with nanosecond resolution and the time constants for visible emission decay are observed to be between 10 to 15 nsec decreasing as pressure increases. The application of the sustainer voltage does not change the visible emission decay time constant. Energy consumption as indicated by power output from the power supplies is 194 to 669 W depending on pulse repetition rate.

  11. Investigation of biomineralization by Raman spectroscopy

    Science.gov (United States)

    Fatscher, Robert William

    implants. These implants are designed to osteointegrate with the native healthy tissues in order to create a functionally stable and structural interface. Biomaterials such as hydroxyapatite and titania are known to increase the rate of bone regeneration in vivo.1 By accelerating the early response of bone forming cells to these implants, better fixation is achieved between the implant and the bone, shortening recovery times and increasing the viability of these implants. In the last part of this research an investigation of osteoblasts cultured at 14 days on five different heat-treated titania substrates was investigated by Raman spectroscopy, in order to observe the initial cellular response to the titania substrates. The heat-treatment of titania changes the amount of oxygen on it's surface which in turn effects the surface energy. A change in the surface energy of a material will affect the cellular response, by culturing cells on various heat-treated titania substrates a relationship between the surface energy and cellular response can be investigated. A faster cellular response would lead to an increased rate of bone regeneration shortening healing times and allowing for better fixation of the implant.

  12. Feasibility study of mid-infrared absorption spectroscopy using electrospray ionization

    Science.gov (United States)

    Ahmed, Tahsin; Foster, Erick; Bohn, Paul; Howard, Scott

    2016-09-01

    Precise detection of trace amount of molecules, such as the disease biomarkers present in biofluids or explosive residues, requires high sensitivity detection. electrospray ionization-mass spectrometry (ESI-MS) is a common and effective technique for sensitive trace molecular detection in small-volume liquid samples. In ESI-MS, nano-liter volume samples are ionized and aerosolized by ESI, and fed into MS for mass analysis. ESI-MS has proven to be a reliable ionization technique for coupling liquid phase separations like liquid chromatography (LC) and capillary zone electrophoresis (CE) with the highly specific resolving power of MS. While CE and ESI can be performed on a microfluidic chip having a footprint of a few cm2, MS is typically at least 100 times bigger in size than a micro-chip. A reduced size, weight, and power profile would enable semi-portable applications in forensics, environmental monitoring, defense, and biological/pharmaceutical applications. To achieve this goal, we present an initial study evaluating the use of mid-infrared absorption spectroscopy (MIRAS) in place of MS to create a ESI-MIRAS system. To establish feasibility, we perform ESI-MIRAS on phospholipid samples, which have been previously demonstrated to be separable by CE. Phospholipids are biomarkers of degenerative neurological, kidney, and bone diseases and can be found in biofluids such as blood, urine and cerebrospinal fluid. To establish sensitivity limits, calibration samples of 100 μM concentration are electrospray deposited on to a grounded Si wafer for different times (1 minutes to 4 minutes with a 1 minute step). The minimum detectable concentration-time product, where a FTIR globar is used as the MIR source, is found 200 μM·s.

  13. Spectroscopy and atomic physics of highly ionized Cr, Fe, and Ni for tokamak plasmas

    Science.gov (United States)

    Feldman, U.; Doschek, G. A.; Cheng, C.-C.; Bhatia, A. K.

    1980-01-01

    The paper considers the spectroscopy and atomic physics for some highly ionized Cr, Fe, and Ni ions produced in tokamak plasmas. Forbidden and intersystem wavelengths for Cr and Ni ions are extrapolated and interpolated using the known wavelengths for Fe lines identified in solar-flare plasmas. Tables of transition probabilities for the B I, C I, N I, O I, and F I isoelectronic sequences are presented, and collision strengths and transition probabilities for Cr, Fe, and Ni ions of the Be I sequence are given. Similarities of tokamak and solar spectra are discussed, and it is shown how the atomic data presented may be used to determine ion abundances and electron densities in low-density plasmas.

  14. Real-time monitoring of volatile organic compounds using chemical ionization mass spectroscopy: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Thornberg, S.M.; Mowry, C.D.; Keenan, M.R.; Bender, S.F.A. [Sandia National Labs., Albuquerque, NM (United States). Gas Analysis Lab.; Owen, T. [Intel Corp., Rio Rancho, NM (United States)

    1997-04-01

    Volatile organic compound (VOC) emission to the atmosphere is of great concern to semiconductor manufacturing industries, research laboratories, the public, and regulatory agencies. Some industries are seeking ways to reduce emissions by reducing VOCs at the point of use (or generation). This paper discusses the requirements, design, calibration, and use of a sampling inlet/quadrupole mass spectrometer system for monitoring VOCs in a semiconductor manufacturing production line. The system uses chemical ionization to monitor compounds typically found in the lithography processes used to manufacture semiconductor devices (e.g., acetone, photoresist). The system was designed to be transportable from tool to tool in the production line and to give the operator real-time feedback so the process(es) can be adjusted to minimize VOC emissions. Detection limits ranging from the high ppb range for acetone to the low ppm range fore other lithography chemicals were achieved using chemical ionization mass spectroscopy at a data acquisition rate of approximately 1 mass spectral scan (30 to 200 daltons) per second. A demonstration of exhaust VOC monitoring was performed at a working semiconductor fabrication facility during actual wafer processing.

  15. Even-parity Rydberg and autoionizing states of lutetium by laser resonance-ionization spectroscopy

    Science.gov (United States)

    Li, R.; Lassen, J.; Zhong, Z. P.; Jia, F. D.; Mostamand, M.; Li, X. K.; Reich, B. B.; Teigelhöfer, A.; Yan, H.

    2017-05-01

    Multistep laser resonance ionization spectroscopy of lutetium (Lu) has been performed at TRIUMF's off-line laser ion source test stand. The even-parity Rydberg series 6 s2n d 2D3 /2 , 6 s2n d 2D5 /2 , and 6 s2n s 2S1 /2 were observed converging to the 6 s2 ionization potential. The experimental results have been compared to those of previous work. Fifty-one levels of Rydberg series 6 s2n d 2D5 /2 and 52 levels of Rydberg series 6 s2n s 2S1 /2 were reported. Additionally, six even-parity autoionization (AI) series converging to Lu ionic states 5 d 6 s 3D1 and 5 d 6 s 3D2 were observed. The level energies of these AI states were measured. The configurations of the AI states were assigned by relativistic multichannel theory within the framework of multichannel quantum defect theory.

  16. New Atomic Data for Doubly Ionized Iron Group Atoms by High Resolution UV Fourier Transform Spectroscopy

    Science.gov (United States)

    Smith, Peter L.; Pickering, Juliet C.; Thorne, A. P.

    2002-01-01

    Currently available laboratory spectroscopic data of doubly ionized iron-group element were obtained about 50 years ago using spectrographs of modest dispersion, photographic plates, and eye estimates of intensities. The accuracy of the older wavelength data is about 10 mAngstroms at best, whereas wavelengths are now needed to an accuracy of 1 part in 10(exp 6) to 10(exp 7) (0.2 to 2 mAngstroms at 2000 Angstroms). The Fourier transform (FT) spectroscopy group at Imperial College, London, and collaborators at the Harvard College Observatory have used a unique VUV FT spectrometer in a program focussed on improving knowledge of spectra of many neutral and singly and doubly ionized, astrophysically important, iron group elements. Spectra of Fe II and Fe III have been recorded at UV and VUV wavelengths with signal-to-noise ratios of several hundred for the stronger lines. Wavelengths and energy levels for Fe III are an order of magnitude more accurate than previous work; analysis is close to completion. f-values for Fe II have been published.

  17. Spectroscopy of neutral and ionized PAHs. From laboratory studies to astronomical observations

    Science.gov (United States)

    Salama, Farid

    2005-01-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are an important and ubiquitous component of carbon-bearing materials in space. PAHs are the best-known candidates to account for the IR emission bands (UIR bands) and PAH spectral features are now being used as new probes of the ISM. PAHs are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). In the model dealing with the interstellar spectral features, PAHs are present as a mixture of radicals, ions and neutral species. PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge for laboratory astrochemistry is to reproduce (in a realistic way) the physical conditions that are associated with the emission and absorption interstellar zones. An extensive laboratory program has been developed at NASA Ames to assess the physical and chemical properties of PAHs in such environments and to describe how they influence the radiation and energy balance in space and the interstellar chemistry. PAHs, neutrals and ions, are expanded through a pulsed discharge nozzle (PDN) and probed with high-sensitivity cavity ringdown spectroscopy (CRDS). These laboratory experiments provide unique information on the spectra of free, cold large carbon molecules and ions in the gas phase from the ultraviolet and visible range to the near-infrared range. Intrinsic band profiles and band positions of cold gas-phase PAHs can now be measured with high-sensitivity spectroscopy and directly compared to the astronomical data. Preliminary conclusions from the comparison of the laboratory data with astronomical observations of interstellar and circumstellar environments will also be discussed.

  18. Investigating the contamination of accelerated radioactive beams with an ionization chamber at MINIBALL

    CERN Document Server

    Zidarova, Radostina

    2017-01-01

    My summer student project involved the operation and calibration of an ionization chamber, which was used at MINIBALL for investigating and determining the contamination in post-accelerated radioactive beams used for Coulomb excitation and transfer reaction experiments.

  19. Resonantly-enhanced two-photon ionization and mass-analyzed threshold ionization (MATI) spectroscopy of 2-hydroxypyridine

    CERN Document Server

    Lee, D H; Choi, K W; Choi, Y S; Kim, S K

    2002-01-01

    Mass-analyzed threshold ionization (MATI) spectra of 2-hydroxypyridines existing as lactims (2-pyridionl) in a molecular beam are obtained via (1+1') two-photon process to give accurate ionization energies of 8.9344 +- 0.0005 and 8.9284 +- 0.0005 eV for 2-pyridinol (2Py-OH) and its deuterated analogue (2Py-OD), respectively. Resonantly-enhanced two-photon ionization spectra of these compounds are also presented to give vibrational structures of their S sub 1 states. Vibrational frequencies of 2Py-OH and 2Py-OD in ionic ground states are accurately determined from MATI spectra taken via various S sub 1 intermediate states, and associated vibrational modes are assigned with the aid of ab initio calculations.

  20. Investigation of electric field distribution on FAC-IR-300 ionization chamber

    Science.gov (United States)

    Mohammadi, S. M.; Tavakoli-Anbaran, H.; Zeinali, H. Z.

    2016-07-01

    One of the important parameters for establishing charge particle equilibrium (CPE) conditions of free-air ionization chamber is an electric field distribution. In this paper, electric field distribution inside the ionization chamber was investigated by finite element method. For this purpose, the effects of adding guard plate and guard strips on the electric field distribution in the ionization chamber were studied. it is necessary to apply a lead box around the ionization chamber body to avoid of scattered radiation effects on the ionization chamber operation, but the lead box changes the electric field distribution. In the following, the effect of lead box on the electric field distribution was studied. Finally, electric field distribution factor (kfield) was calculated by the simulation. The results of the simulation showed that presence of the guard plate and guard strips, and applying a suitable potential to lead box, a convergence of kfield to 1 was achieved.

  1. Is there adequate ionization mechanism of the spontaneous transitions? Quantum-chemical investigation

    Directory of Open Access Journals (Sweden)

    Hovorun D. M.

    2010-09-01

    Full Text Available Aim. To investigate theoretically the adequacy of the ionization mechanism of the spontaneous transitions appearance, using simple molecular models – DNA base pairs, one of which is ionized, and electroneutral and ionized DNA-like conformers of canonical nucleosides. Methods. Non-empirical quantum chemistry, physicochemical kinetics and analysis of the electron density by means of Bader’s atoms in molecules (AIM theory were used. Results. It is established at base pairs that the ionization mechanism of transitions origin doesn’t imply any advantages in comparison with other mechanisms described in literature. However, the protonation/deprotonation of base in any canonical nucleoside significantly perturbs DNA-like conformations of the latter. Conclusions. The ionization mechanism can’t explain entirely the nature of the spontaneous transitions.

  2. Resonance ionization spectroscopy of thorium isotopes - towards a laser spectroscopic identification of the low-lying 7.6 eV isomer of $^{229}$Th

    CERN Document Server

    Raeder, S; Wendt, K; Sonnenschein, V; Trautmann, N; Rothe, S; Reponen, M; Gottwald, T; 10.1088/0953-4075/44/16/165005

    2011-01-01

    In-source resonance ionization spectroscopy was used to identify an efficient and selective three step excitation/ionization scheme of thorium, suitable for titanium:sapphire (Ti:sa) lasers. The measurements were carried out in preparation of laser spectroscopic investigations for an identification of the low-lying Th-229m isomer predicted at 7.6 +- 0.5 eV above the nuclear ground state. Using a sample of Th-232, a multitude of optical transitions leading to over 20 previously unknown intermediate states of even parity as well as numerous high-lying odd parity auto-ionizing states were identified. Level energies were determined with an accuracy of 0.06 cm-1 for intermediate and 0.15 cm-1 for auto-ionizing states. Using different excitation pathways an assignment of total angular momenta for several energy levels was possible. One particularly efficient ionization scheme of thorium, exhibiting saturation in all three optical transitions, was studied in detail. For all three levels in this scheme, the isotope s...

  3. Electronic structure and spectroscopy of nucleic acid bases: Ionization energies, ionization-induced structural changes, and photoelectron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Bravaya, Ksenia B.; Kostko, Oleg; Dolgikh, Stanislav; Landau, Arie; Ahmed, Musahid; Krylov, Anna I.

    2010-08-02

    We report high-level ab initio calculations and single-photon ionization mass spectrometry study of ionization of adenine (A), thymine (T), cytosine (C) and guanine (G). For thymine and adenine, only the lowest-energy tautomers were considered, whereas for cytosine and guanine we characterized five lowest-energy tautomeric forms. The first adiabatic and several vertical ionization energies were computed using equation-of-motion coupled-cluster method for ionization potentials with single and double substitutions. Equilibrium structures of the cationic ground states were characterized by DFT with the {omega}B97X-D functional. The ionization-induced geometry changes of the bases are consistent with the shapes of the corresponding molecular orbitals. For the lowest-energy tautomers, the magnitude of the structural relaxation decreases in the following series G > C > A > T, the respective relaxation energies being 0.41, 0.32, 0.25 and 0.20 eV. The computed adiabatic ionization energies (8.13, 8.89, 8.51-8.67 and 7.75-7.87 eV for A,T,C and G, respectively) agree well with the onsets of the photoionization efficiency (PIE) curves (8.20 {+-} 0.05, 8.95 {+-} 0.05, 8.60 {+-} 0.05 and 7.75 {+-} 0.05 eV). Vibrational progressions for the S{sub 0}-D{sub 0} vibronic bands computed within double-harmonic approximation with Duschinsky rotations are compared with previously reported experimental photoelectron spectra.

  4. Vibrational and vibrational-torsional interactions in the 0-600 cm-1 region of the S1 ← S0 spectrum of p-xylene investigated with resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy

    Science.gov (United States)

    Tuttle, William D.; Gardner, Adrian M.; O'Regan, Kieran B.; Malewicz, William; Wright, Timothy G.

    2017-03-01

    We assign the 0-600 cm-1 region of the S1 ← S0 transition in p-xylene (p-dimethylbenzene) using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. In the 0-350 cm-1 range as well as the intense origin band, there are a number of torsional and vibration-torsion (vibtor) features. The latter are discussed in more detail in Paper I [A. M. Gardner et al., J. Chem. Phys. 146, 124308 (2017)]. Here we focus on the origin and the 300-600 cm-1 region, where vibrational bands and some vibtor activity are observed. From the origin ZEKE spectrum, we derive the ionization energy of p-xylene as 68200 ± 5 cm-1. The assignment of the REMPI spectrum is based on the activity observed in the ZEKE spectra coupled with knowledge of the vibrational wavenumbers obtained from quantum chemical calculations. We assign several isolated vibrations and a complex Fermi resonance that is found to comprise contributions from both vibrations and vibtor levels, and we examine this via a two-dimensional ZEKE spectrum. A number of the vibrational features in the REMPI and ZEKE spectra of p-xylene that have been reported previously are reassigned and now largely consist of totally symmetric contributions. We briefly discuss the appearance of non-Franck-Condon allowed transitions. Finally, we find remarkably similar spectral activity to that in the related disubstituted benzenes, para-difluorobenzene, and para-fluorotoluene.

  5. Laser Induced Fluorescence Spectroscopy of Neutral and Ionized Polycyclic Aromatic Hydrocarbons in the Cosmic Simulation Chamber

    Science.gov (United States)

    Bejaoui, Salma; Salama, Farid; Contreras, Cesar; Sciamma O'Brien, Ella; Foing, Bernard; Pascale, Ehrenfreund

    2015-01-01

    Polycyclic aromatic hydrocarbon (PAH) molecules are considered the best carriers to account for the ubiquitous infrared emission bands. PAHs have also been proposed as candidates to explain the diffuse interstellar bands (DIBs), a series of absorption features seen on the interstellar extinction curve and are plausible carriers for the extended red emission (ERE), a photoluminescent process associated with a wide variety of interstellar environments. Extensive efforts have been devoted over the past two decades to characterize the physical and chemical properties of PAH molecules and ions in space. Absorption spectra of PAH molecules and ions trapped in solid matrices have been compared to the DIBs. Absorption spectra of several cold, isolated gas-phase PAHs have also been measured under experimental conditions that mimic the interstellar conditions. The purpose of this study is to provide a new dimension to the existing spectroscopic database of neutral and single ionized PAHs that is largely based on absorption spectra by adding emission spectroscopy data. The measurements are based on the laser induced fluorescence (LIF) technique and are performed with the Pulsed Discharge Nozzle (PDN) of the COSmIC laboratory facility at NASA Ames laboratory. The PDN generates a plasma in a free supersonic jet expansion to simulate the physical and the chemical conditions in interstellar environments. We focus, here, on the fluorescence spectra of large neutral PAHs and their cations where there is a lack of fluorescence spectroscopy data. The astronomical implications of the data (e.g., ERE) are examined.

  6. Threshold ionization spectroscopic investigation of supersonic jet-cooled, laser-desorbed Tryptophan

    Science.gov (United States)

    Taherkhani, Mehran; Armentano, Antonio; Černý, Jiří; Müller-Dethlefs, Klaus

    2016-07-01

    Tryptophan (Trp) was studied by two-colour Photoionization Efficiency (PIE) and Mass Analysed Threshold Ionization (MATI) spectroscopy using a laser desorption apparatus. Conformer A of Trp was excited into the S1 state (34,878 cm-1) and the second laser was scanned around the D0 cation ground and the D1 excited state. No ionization signal into the D0 state could be found, but a clear threshold was observed for the D1 state with an ionization energy of 66,704 ± 3 cm-1 (8.27 eV). This observation is explained in terms of the electronic configurations of the S1 and cationic states.

  7. Classical trajectory Monte Carlo investigation for Lorentz ionization of H (1s)

    Institute of Scientific and Technical Information of China (English)

    He Bin; Wang Jian-Guo; Liu Chun-Lei

    2013-01-01

    Lorentz ionization of H(1s) is investigated by classical trajectory Monte Carlo (CTMC) simulation.The effect of the transverse magnetic field on the considered process is analyzed in terms of the time evolution of interactions in the system,total electron energy,and electron trajectories.A classical mechanism for the ionization is found,where the variation of the kinetic energy of the nuclei is found to be important in the process.Compared with the results of tunneling ionization,the classical mechanism becomes more and more important with the increase of the velocity of the H-atom or the strength of the magnetic field.

  8. Triggered infrared spectroscopy for investigating metalloprotein chemistry.

    Science.gov (United States)

    Vincent, Kylie A

    2010-08-13

    Recent developments in infrared (IR) spectroscopic time resolution, sensitivity and sample manipulation make this technique a powerful addition to the suite of complementary approaches for the study of time-resolved chemistry at metal centres within proteins. Application of IR spectroscopy to proteins has often targeted the amide bands as probes for gross structural change. This article focuses on the possibilities arising from recent IR technical developments for studies that monitor localized vibrational oscillators in proteins--native or exogenous ligands such as NO, CO, SCN(-) or CN(-), or genetically or chemically introduced probes with IR-active vibrations. These report on the electronic and coordination state of metals, the kinetics, intermediates and reaction pathways of ligand release, hydrogen-bonding interactions between the protein and IR probe, and the electrostatic character of sites in a protein. Metalloprotein reactions can be triggered by light/dark transitions, an electrochemical step, a change in solute composition or equilibration with a new gas atmosphere, and spectra can be obtained over a range of time domains as far as the sub-picosecond level. We can expect to see IR spectroscopy exploited, alongside other spectroscopies, and crystallography, to elucidate reactions of a wide range of metalloprotein chemistry with relevance to cell metabolism, health and energy catalysis.

  9. Fluorescence spectroscopy of UV-MALDI matrices and implications of ionization mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Hou-Yu; Hsu, Hsu Chen; Lu, I-Chung; Lee, Yuan-Tseh; Ni, Chi-Kung [Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan (China); Hsu, Kuo-Tung; Liao, Chih-Yu; Lee, Yin-Yu [National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China); Tseng, Chien-Ming [Department of Applied Chemistry, National Chiao Tung University, Hsinchu 30010, Taiwan (China)

    2014-10-28

    Matrix-assisted laser desorption ionization (MALDI) has been widely used in the mass analysis of biomolecules; however, there are a lot of debates about the ionization mechanisms. Previous studies have indicated that S{sub 1}-S{sub 1} annihilation might be a key process in the generation of primary ions. This study investigates S{sub 1}-S{sub 1} annihilation by examining the time-resolved fluorescence spectra of 12 matrices. No S{sub 1}-S{sub 1} annihilation was observed in six of these matrices (3-hydroxy-picolinic acid, 6-aza-2-thiothymine, 2,4-dihydroxy-acetophenone, 2,6-dihydroxy-acetophenone, 2,4,6-trihydroxy-acetophenone, and ferulic acid). We observed two matrix molecules reacting in an electronically excited state (S{sub 1}) in five of these matrices (2,5-dihydroxybenzoic acid, α-cyano-4-hydroxycinnamic acid, 2,5-dihydroxy-acetophenone, 2,3-dihydroxybenzoic acid, and 2,6-dihydroxybenzoic acid), and S{sub 1}-S{sub 1} annihilation was a possible reaction. Among these five matrices, no S{sub 1}-S{sub 1} annihilation was observed for 2,3-dihydroxybenzoic acid in typical peak power region of nanosecond laser pulses in MALDI, but a very small value of reaction rate constant was observed only in the high peak power region. The excited-state lifetime of sinapinic acid was too short to determine whether the molecules reacted in an electronically excited state. No correlation was observed between the ion generation efficiency of MALDI and S{sub 1}-S{sub 1} annihilation. The results indicate that the proposal of S{sub 1}-S{sub 1} annihilation is unnecessary in MALDI and energy pooling model for MALDI ionization mechanism has to be modified.

  10. Laser Induced Fluorescence Spectroscopy of Neutral and Ionized Polycyclic Aromatic Hydrocarbons in a Cosmic Simulation Chamber

    Science.gov (United States)

    Bejaoui, Salma; Salama, Farid

    2015-08-01

    Polycyclic aromatic hydrocarbon (PAH) molecules are considered the best carriers to account for the ubiquitous infrared emission bands. PAHs have also been proposed as candidates to explain the diffuse interstellar bands (DIBs), a series of absorption features seen on the interstellar extinction curve and are plausible carriers for the extended red emission (ERE), a photoluminescent process associated with a wide variety of interstellar environments. Extensive efforts have been devoted over the past two decades to characterize the physical and chemical properties of PAH molecules and ions in space. Absorption spectra of PAH molecules and ions trapped in solid matrices have been compared to the DIBs [1, 2]. Absorption spectra of several cold, isolated gas-phase PAHs have also been measured under experimental conditions that mimic the interstellar conditions [see 3 for a review]. The purpose of this study is to provide a new dimension to the existing spectroscopic database of neutral and single ionized PAHs that is largely based on absorption spectra by adding emission spectroscopy data. The measurements are based on the laser-induced fluorescence (LIF) technique [4] and are performed with the Pulsed Discharge Nozzle (PDN) of the COSmIC laboratory facility at NASA Ames laboratory. The PDN generates plasma in a free supersonic jet expansion to simulate the physical and the chemical conditions in interstellar environments. We focus, here, on the fluorescence spectra of large neutral PAHs and their cations where there is a lack of fluorescence spectroscopy data. The astronomical implications of the data (e.g., ERE) are examinedReferences[1] F. Salama, E. Bakes, L.J. Allamandola, A.G.G.M. Tielens, Astrophys. J., 458 (1996) p.621[2] F. Salama, The ISO Revolution, EDP Sciences, Les Ulis, France (1999) p.65[3] Salama F., In Organic Matter in Space, IAU Symposium 251, Kwok & Sandford Eds.Cambridge University Press,4, S251,(2008), p. 357 (2008) and references therein.[4

  11. Electronic states of neutral and ionized tetrahydrofuran studied by VUV spectroscopy and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Giuliani, A. [Synchrotron Soleil, DISCO beamline, L' Orme des Merisiers, 91 - Gif-sur-Yvette (France); Giuliani, A. [Cepia, Institut National de la Recherche Agronomique (INRA), 44 - Nantes (France); Limiao-Vieira, P. [Lisboa Univ. Nova, Lab. de Colisoes Atomicas e Moleculares, CEFITEC, Dept. de Fysica, Caparica (Portugal); Limao-Vieira, P.; Mason, N. [Open Univ., Centre of Molecular and Optical Sciences, Dept. of Physics and Astronomy, Milton Keynes, MK (United Kingdom); Duflot, D. [Lille Univ. des Sciences et Technologies, Lab. de Physique des Lasers, Atomes et Molecules (PhLAM), UMR CNRS 8523, Centre d' Etudes et de Recherches Lasers et Applications, CERLA, FR CNRS 2416, 59 - Villeneuve d' Ascq (France); Milosavljevic, A.R.; Marinkovic, B.P. [Laboratory for atomic collision processes, Institute of Physics, Belgrade, Serbia (Yugoslavia); Hoffmann, S.V. [Aarhus Univ., Institute for Storage Ring Facilities (Denmark); Delwiche, J.; Hubin-Franskin, M.J. [Liege Univ., Laboratoire de Spectroscopie d' Electrons Diffuses, Institut de Chimie (Belgium)

    2009-01-15

    The electronic spectroscopy of isolated tetrahydrofuran (THF) in the gas phase has been investigated using high-resolution photoabsorption spectroscopy in the 5.8 - 10.6 eV with absolute cross-section measurements derived. In addition, an electron energy loss spectrum was recorded at 100 eV and 10 degrees over the 5 - 11.4 eV range. The He(I) photoelectron spectrum was also collected to quantify ionisation energies in the 9 - 16.1 eV spectral region. These experiments are supported by the first high-level ab initio calculations performed on the excited states of the neutral molecule and on the ground state of the positive ion. The excellent agreement between the theoretical results and the measurements allows us to solve several discrepancies concerning the electronic state spectroscopy of THF. The present work reconsiders the question of the lowest energy conformers of the molecule and its population distribution at room temperature. (authors)

  12. Investigation of the interaction between HIV-1 DNA and cyclic peptides by electrospray ionization mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    Yi Quan Liu; Hui Hui Li; Yun Hua Ye; Gu Yuan

    2009-01-01

    The interaction between HIV-I DNA and five cyclic peptides (CPI-CP5) was investigated using electrospray ionization mass spectrometry (ESI-MS). It revealed that CPI [c(Ala-Tyr-Leu-Ala-Gly)] and CP4 [c(Pro-D-Tyr-Leu-D-Ala-Gly)] have the higher binding affinity with the duplex DNA among the five cyclic peptides.

  13. Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

    Science.gov (United States)

    Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

    2010-02-28

    Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

  14. Spectroscopy of AlAr and AlKr from 31 000 cm-1 to the ionization limit

    Science.gov (United States)

    Heidecke, Scott A.; Fu, Zhenwen; Colt, John R.; Morse, Michael D.

    1992-08-01

    Spectra of jet-cooled AlAr and AlKr have been collected over the range from 31 000 cm-1 to the ionization limit, using the technique of resonant two-photon ionization spectroscopy with mass spectrometric detection. Adiabatic ionization potentials have been accurately measured for both molecules, and have been estimated for AlAr2 and AlAr3. The spin-orbit splittings in the X 2Π ground state have been determined for both AlAr and AlKr, and ground-state bond strengths have been accurately measured as D0[AlAr, X1 2Π1/2(3p)] =122.4±4 cm-1 and D0[27Al 84Kr, X1 2Π1/2(3p)] =194.7±0.8 cm-1. These values have also been combined with the measured ionization potentials to derive D0(Al+-Ar)=982.3± 5 cm-1 and D0(Al+-Kr)=1528.5±2 cm-1.

  15. First-principles investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications

    Energy Technology Data Exchange (ETDEWEB)

    Hu, S. X., E-mail: shu@lle.rochester.edu; Goncharov, V. N.; McCrory, R. L.; Skupsky, S. [Laboratory for Laser Energetics, University of Rochester, 250 East River Road, Rochester, New York 14623 (United States); Collins, L. A.; Kress, J. D. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2016-04-15

    Using quantum molecular-dynamics (QMD) methods based on the density functional theory, we have performed first-principles investigations of the ionization and thermal conductivity of polystyrene (CH) over a wide range of plasma conditions (ρ = 0.5 to 100 g/cm{sup 3} and T = 15 625 to 500 000 K). The ionization data from orbital-free molecular-dynamics calculations have been fitted with a “Saha-type” model as a function of the CH plasma density and temperature, which gives an increasing ionization as the CH density increases even at low temperatures (T < 50 eV). The orbital-free molecular dynamics method is only used to gauge the average ionization behavior of CH under the average-atom model in conjunction with the pressure-matching mixing rule. The thermal conductivities (κ{sub QMD}) of CH, derived directly from the Kohn–Sham molecular-dynamics calculations, are then analytically fitted with a generalized Coulomb logarithm [(lnΛ){sub QMD}] over a wide range of plasma conditions. When compared with the traditional ionization and thermal conductivity models used in radiation–hydrodynamics codes for inertial confinement fusion simulations, the QMD results show a large difference in the low-temperature regime in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Hydrodynamic simulations of cryogenic deuterium–tritium targets with CH ablators on OMEGA and the National Ignition Facility using the QMD-derived ionization and thermal conductivity of CH have predicted ∼20% variation in target performance in terms of hot-spot pressure and neutron yield (gain) with respect to traditional model simulations.

  16. State-resolved study of keV sputtered neutral atoms by resonance ionization spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    He, C.; Postawa, Z.; Rosencrance, S.; Chatterjee, R.; Garrison, B.J.; Winograd, N. [Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    1995-04-01

    We have performed simultaneous measurements of energy-, and angle-resolved distributions of Ni atoms desorbed from a single crystal Ni{l_brace}100{r_brace} surface bombarded by 5 keV Ar{sup +} ions. Ground state and six low-lying excited states from the {ital a}{sup 3}{ital F}{sub {ital J}} ({ital J}=4,3,2) and {ital a}{sup 3}{ital D}{sub {ital J}} ({ital J}=3,2,1) manifolds as well as {ital a}{sup 1}{ital D}{sub 2} have been investigated along different azimuths. Both {ital a}{sup 3}{ital F}{sub {ital J}} and {ital a}{sup 1}{ital D}{sub 2} states have closed shell electronic structure, 3{ital d}{sup 8}4{ital s}{sup 2}, while the {ital a}{sup 3}{ital D}{sub {ital J}} states are open shell electronic states, 3{ital d}{sup 9}4{ital s}{sup 1}. Angle-integrated energy distributions demonstrate a strong dependence on the electronic structure while the magnitude of the excitation energy does not significantly alter the results. This is the first conclusive evidence that electronic structure rather than excitation energy is the primary factor in determining kinetic energy distributions of sputtered neutral species. Population distribution among the seven electronic states are obtained through two sets of measurements performed on two experimental apparati: one measures the energy- and angle-integrated resonance ionization signal intensities of the sputtered Ni; the other measures the resonance ionization signal intensities of thermally evaporated Ni atoms with a known heating temperature. The experiment results show that the population distribution is very different from Boltzman-type distribution with {ital a}{sup 3}{ital D}{sub 3} and {ital a}{sup 3}{ital D}{sub 2} states more intensely populated. The work also illustrates the power of RIS to perform quantum state specific measurements on fast moving atoms. {copyright} 1995 {ital American} {ital Institute} {ital of} {ital Physics}

  17. Resonance Enhanced Multi-Photon Ionization (rempi) and Double Resonance Uv-Uv and Ir-Uv Spectroscopic Investigation Isocytosine

    Science.gov (United States)

    Lee, Seung Jun; Min, Ahreum; Ahn, Ahreum; Moon, Cheol Joo; Choi, Myong Yong; Ishiuchi, Shun-Ichi; Miyazaki, Mitsuhiko; Fujii, Masaaki

    2013-06-01

    Isocytosine(iC), 2-aminouracil, is a non-natural nucleobase and its functional group's positions resemble those of guanine; therefore, its spectroscopic investigation is worthy of attention especially for the natural/unnatural base pairs with guanine and isoguanine. In this study, resonance enhanced multi-photon ionization (REMPI) and UV/IR-UV double resonance spectra of iC in the gas phase are presented. The collaboration work between Tokyo Institute of Technology, Japan and Gyeongsang National University, Korea using laser ablation and thermal evaporation, respectively, for producing jet-cooled iC is presented and discussed. The REMPI spectrum of iC monomers is recorded in the spectral range of 35000 to 36400cm-1, showing very congested π-π* vibronic bands. UV-UV hole burning spectroscopy is further conducted to investigate the conformational landscapes of iC monomers. Moreover, the presence of free OH band from IR-UV double resonance spectroscopy in combination with quantum chemical calculations convinces that the iC monomer in free-jet expansion experiment is an enol tautomer. However, a possible presence of a keto tautomer of iC may be provided by employing a pico-second experiment on iC.

  18. An instrument for the investigation of actinides with spin resolved photoelectron spectroscopy and bremsstrahlung isochromat spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yu, S.-W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Tobin, J. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Chung, B. W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2011-01-01

    A new system for spin resolved photoelectron spectroscopy and bremsstrahlung isochromat spectroscopy has been built and commissioned at Lawrence Livermore National Laboratory for the investigation of the electronic structure of the actinides.Actinide materials are very toxic and radioactive and therefore cannot be brought to most general user facilities for spectroscopic studies. The technical details of the new system and preliminary data obtained therein will be presented and discussed.

  19. Investigation of non-covalent complexes of glutathione with common amino acids by electrospray ionization mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    Zhao-yun DAI; Yan-qiu CHU; Bo WU; Liang WU; Chuan-fan DING

    2008-01-01

    Aim: To study the non-covalent interaction between glutathione and common amino acids. Methods: A stoichiometry of glutathione and common amino acids were mixed to reach the equilibrium, and then the mixed solution was investigated by electrospray ionization mass spectrometry (ESI-MS). The binding of the com-plexes was further examined by collision-induced dissociation (CID) in a tandem mass spectrometer as well as UV spectroscopy. To avoid distinct ionization effi-ciency discrepancy and signal suppression in the ESI-MS measurements, the interaction between glutathione (GSH) and glutamate (Glu) was quantitatively evaluated. The total concentrations and series of m/z of peak intensities for glu-tathione and amino acids could be achieved, respectively. Due to the existence of some oligomeric species arising from glutathione or amino acids, an improved calculation formula was proposed to calculate the dissociation constants of glu-tathione binding to amino acids. Results: The ESI mass spectra revealed that glutathione could interact easily with Met, Phe, Tyr, Ser, or lie to form non-cova-lent complexes. The binding of the complexes was further confirmed by CID experiments in a tandem mass spectrometer as well as UV spectroscopy. Moreover, an improved calculation formula was successfully applied to determine the disso-ciation constants of glutathione binding to Glu, His, or Gln. Finally, a possible formation mechanism for the complexes of glutathione with amino acids was proposed. Conclusion: The reduced polypeptide y-glutathione can interact with each of 8 common amino acids, including Glu, His, and Gin to form non-covalent complexes with different affinity.

  20. Spatially resolved integral field spectroscopy of the ionized gas in IZw18

    CERN Document Server

    Kehrig, C; Perez-Montero, E; Iglesias-Paramo, J; Hernandez-Fernandez, J D; Puertas, S Duarte; Brinchmann, J; Durret, F; Kunth, D

    2016-01-01

    We present a detailed 2D study of the ionized ISM of IZw18 using new PMAS-IFU optical observations. IZw18 is a high-ionization galaxy which is among the most metal-poor starbursts in the local Universe. This makes IZw18 a local benchmark for understanding the properties most closely resembling those prevailing at distant starbursts. Our IFU-aperture (~ 1.4 kpc x 1.4 kpc) samples the entire IZw18 main body and an extended region of its ionized gas. Maps of relevant emission lines and emission line ratios show that higher-excitation gas is preferentially located close to the NW knot and thereabouts. We detect a Wolf-Rayet feature near the NW knot. We derive spatially resolved and integrated physical-chemical properties for the ionized gas in IZw18. We find no dependence between the metallicity-indicator R23 and the ionization parameter (as traced by [OIII]/[OII]) across IZw18. Over ~ 0.30 kpc^2, using the [OIII]4363 line, we compute Te[OIII] values (~ 15000 - 25000 K), and oxygen abundances are derived from the...

  1. Experimental investigation on ionized ultracold molecules formed in a magneto-optical trap by time-of-flight mass spectroscopy%飞行时问质谱探测磁光阱中超冷分子离子的实验研究

    Institute of Scientific and Technical Information of China (English)

    元晋鹏; 姬中华; 杨艳; 张洪山; 赵延霆; 马杰; 汪丽蓉; 肖连团; 贾锁堂

    2012-01-01

    We use time-of-flight mass spectroscopy to detect the ultracold ground state Cs2 molecules formed directly by a photoassociation due to the trapping laser beams and repumping laser beam in a magneto-optical trap. We investigate the dependences of the Cs+ intensity on operating voltage of micro-channel-plate, accelerating field intensity and duration time of the accelerating field. The experimental results are consistent with theoretical fitting. We obtain the best optimal parameters suited to our experimental condition, which is important for the future experiment on ultracold molecule photoassociation and photoionization spectroscopy.%利用飞行时间质谱探测了由磁光阱中的俘获光和再泵浦光光缔合作用形成的超冷基态铯分子,研究了微通道板工作电压、加速电场强度和加速电场持续时间对铯分子离子信号强度的影响.实验结果与理论模型的拟合一致;获得了适合实验条件的最优化实验参数,为进一步研究超冷分子的光缔合光谱和光电离光谱奠定了实验基础.

  2. Spectroscopic studies on technetium and silicon. A solid-state laser system for the resonance-ionization spectroscopy; Spektroskopische Untersuchungen an Technetium und Silizium. Ein Festkoerperlasersystem fuer die Resonanzionisationsspektroskopie

    Energy Technology Data Exchange (ETDEWEB)

    Mattolat, Christoph

    2010-11-15

    This doctoral thesis describes advancement and refinement of the titanium:sapphire laser system of the working group LARISSA, Institut fuer Physik, Johannes Gutenberg- Universitaet Mainz and its application to resonance ionization spectroscopy. Activities on the laser systems comprised three major tasks: The output power of the conventional titanium:sapphire lasers could be increased by a factor of two in order to match the needs at resonance ionization laser ion source at ISOL facilities. Additionally, the laser system was complemented by a titanium:sapphire laser in Littrow geometry, which ensures a mode-hop free tuning range from 700 nm to 950 nm, and by an injection seeded titanium:sapphire laser with a spectral width of 20 MHz (in respect to a spectral width of 3 GHz for the conventional lasers). The performance of the new laser system was tested in spectroscopic investigations of highly excited atomic levels of gold and technetium. From the measured level positions the ionization potential of gold could be verified by using the Rydberg-Ritz formula, while the ionization potential of technetium could be determined precisely for the first time. Using the seeded titanium: sapphire laser Doppler-free two-photon spectroscopy inside a hot ionizer cavity was demonstrated. A width of the recorded resonances of 90 MHz was achieved and the hyperfine structure and isotope shift of stable silicon isotopes was well resolved with this method. (orig.)

  3. Improving the Selectivity of the ISOLDE Resonance Ionization Laser Ion Source and In-Source Laser Spectroscopy of Polonium

    CERN Document Server

    Fink, Daniel Andreas; Jochim, Selim

    Exotic atomic nuclei far away from stability are fascinating objects to be studied in many scientic elds such as atomic-, nuclear-, and astrophysics. Since these are often short-lived isotopes, it is necessary to couple their production with immediate extraction and delivery to an experiment. This is the purpose of the on-line isotope separator facility, ISOLDE, at CERN. An essential aspect of this laboratory is the Resonance Ionization Laser Ion Source (RILIS) because it provides a fast and highly selective means of ionizing the reaction products. This technique is also a sensitive laser-spectroscopy tool for the development and improvement of electron excitation schemes for the resonant laser photoionization and the study of the nuclear structure or fundamental atomic physics. Each of these aspects of the RILIS applications are subjects of this thesis work: a new device for the suppression of unwanted surface ionized contaminants in RILIS ion beams, known as the Laser Ion Source and Trap (LIST), was impleme...

  4. Flash Spectroscopy: Emission Lines from the Ionized Circumstellar Material around $<10$-Day-Old Type II Supernovae

    CERN Document Server

    Khazov, D; Gal-Yam, A; Manulis, I; Rubin, A; Kulkarni, S R; Arcavi, I; Kasliwal, M M; Ofek, E O; Cao, Y; Perley, D; Sollerman, J; Horesh, A; Sullivan, M; Filippenko, A V; Nugent, P E; Howell, D A; Cenko, S B; Silverman, J M; Ebeling, H; Taddia, F; Johansson, J; Laher, R R; Surace, J; Rebbapragada, U D; Wozniak, P R; Matheson, T

    2015-01-01

    Supernovae (SNe) embedded in dense circumstellar material (CSM) may show prominent emission lines in their early-time spectra ($\\leq 10$ days after the explosion), owing to recombination of the CSM ionized by the shock-breakout flash. From such spectra ("flash spectroscopy"), we can measure various physical properties of the CSM, as well as the mass-loss rate of the progenitor during the year prior to its explosion. Searching through the Palomar Transient Factory (PTF and iPTF) SN spectroscopy databases from 2009 through 2014, we found 12 Type II SNe showing flash-ionized (FI) signatures in their first spectra. All are younger than 10 days. These events constitute 14\\% of all 84 SNe in our sample having a spectrum within 10 days from explosion, and 18\\% of SNe~II observed at ages $<5$ days, thereby setting lower limits on the fraction of FI events. We classified as "blue/featureless" (BF) those events having a first spectrum which is similar to that of a black body, without any emission or absorption signa...

  5. Observation of new satellites in Cs-Ar system using resonance ionization spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nayfeh, M.H.; Hurst, G.S.; Payne, M.G.; Young, J.P.

    1978-07-31

    The absorption line shape of Cs-Ar system is recorded using two-photon ionization of the system with Cs(7P) as an intermediate state. New satellite structures in the wings of Cs(7P) are observed which were not resolved in previous absorption measurements. Also the absolute absorption cross section in the blue wing is measured.

  6. Relativistic ab initio spectroscopy study of forbidden lines of singly ionized zinc

    NARCIS (Netherlands)

    Dixit, Gopal; Sahoo, Bijaya K.; Chaudhuri, Rajat K.; Majumder, Sonjoy

    2009-01-01

    The ab initio calculation has been carried out to study the astrophysically important forbidden electromagnetic transition rates of singly ionized zinc (Zn II). Electron correlations are considered to all orders using coupled-cluster theory in the relativistic framework. Calculated excitation energi

  7. Relativistic ab initio spectroscopy study of forbidden lines of singly ionized zinc

    NARCIS (Netherlands)

    Dixit, Gopal; Sahoo, Bijaya K.; Chaudhuri, Rajat K.; Majumder, Sonjoy

    2009-01-01

    The ab initio calculation has been carried out to study the astrophysically important forbidden electromagnetic transition rates of singly ionized zinc (Zn II). Electron correlations are considered to all orders using coupled-cluster theory in the relativistic framework. Calculated excitation

  8. Penning ionization electron spectroscopy of hydrogen sulfide by metastable helium and neon atoms.

    Science.gov (United States)

    Falcinelli, Stefano; Candori, Pietro; Bettoni, Marta; Pirani, Fernando; Vecchiocattivi, Franco

    2014-08-21

    The dynamics of the Penning ionization of hydrogen sulfide molecules by collision with helium and metastable neon atoms, occurring in the thermal energy range, has been studied by analyzing the energy spectra of the emitted electrons obtained in our laboratory in a crossed beam experiment. These spectra are compared with the photoelectron spectra measured by using He(I) and Ne(I) photons under the same experimental conditions. In this way we obtained the negative energy shifts for the formation of H2S(+) ions in the first three accessible electronic states by He*(2(3,1)S1,0) and Ne*((3)P2,0) Penning ionization collisions: the 2b1 (X̃(2)B1) fundamental one, the first 5a1 (Ã(2)A1), and the second 2b2 (B̃(2)B2) excited states, respectively. The recorded energy shifts indicate that in the case of He* and Ne*-H2S the autoionization dynamics depends on the features of the collision complex and is mainly driven by an effective global attraction that comes from a balance among several non covalent intermolecular interaction components. This suggests that the Penning ionization should take place, in a specific range of intermolecular distances, as we have already observed in the case of Penning ionization of water molecules [Brunetti, B. G.; Candori, P.; Falcinelli, S.; Pirani, F.; Vecchiocattivi, F. J. Chem. Phys. 2013, 139, 164305-1-164305-8].

  9. ISO spectroscopy of compact HII regions in the Galaxy - II. Ionization and elemental abundances

    NARCIS (Netherlands)

    Martin-Hernandez, NL; Peeters, E; Morisset, C; Tielens, AGGM; Cox, P; Roelfsema, PR; Baluteau, JP; Schaerer, D; Mathis, JS; Damour, F; Churchwell, E; Kessler, MF

    2002-01-01

    Based on the ISO spectral catalogue of compact H II regions by Peeters et al. (2002), we present a first analysis of the hydrogen recombination and atomic fine-structure lines originated in the ionized gas. The sample consists of 34 H II regions located at galactocentric distances between R-Gal = 0

  10. In-Source laser ionization spectroscopy of 181,182Hg

    CERN Document Server

    AUTHOR|(CDS)2096834

    The mean square charge radii of the mercury isotopes exhibit a large odd-even staggering for the neutron-deficient mercury isotopes, which is suggested to be a manifestation of shape coexistence. Shape coexistence is the phenomenon in which two (or more) distinct types of deformation occur at low energy in one and the same atomic nucleus. Understanding the occurrence of shape coexistence in atomic nuclei is a challenge faced by theories of nuclear structure. The investigation of the neutron-deficient mercury isotopes (Z = 80) plays an important role in the understanding of shape coexistence in this region of the nuclear chart. The theoretical description of shape coexistence is discussed in chapter 1. In a recent laser-spectroscopy experiment performed at the ISOLDE facility in CERN, the hyperfine spectra were measured for 15 different mercury isotopes ranging from $^{177}$Hg to $^{208}$Hg. One of the main goals of this experiment was to extend the currently existing knowledge of the mean square charge radius...

  11. Awareness of ionizing radiation exposure among junior doctors and senior medical students in radiological investigations.

    Science.gov (United States)

    Abuelhia, Elfatih

    2017-03-01

    The awareness and knowledge of ionizing radiation exposure in radiological investigations among junior doctors and medical students were studied. The participants were year four to year six senior medical students enrolled at University of Dammam and interns in King Fahad University Hospital. The survey consisted of 22 questions designed online using the software 'QuestionPro' licensed to the University of Dammam. 100 hard copies were also distributed manually and collected. A total of 221 (88.5%) questionnaires were completed. 213 participants viewed, 151 started and 128 (84.7%) completed online. 93% of the distributed samples were completed. Overall knowledge was poor; 44% and 19% of the respondents thought incorrectly that MRI and ultrasound emit ionizing radiation, respectively. Respondents (92%; n  =  203) underestimated the dose of abdominal spiral computed tomography (CT) and 4% thought no ionizing radiation involved in CT. 59% of respondents underestimated the radiation doses in nuclear medicine; bone scan 87%, PET/CT scan 67%, thyroid isotope scan 45% and PET scan 36%. 47% of the subjects had attended formal lectures, tutorials or workshops on radiation protection while 53% (n  =  119) had not. For future education the majority stated they would prefer tutorials or workshops (42.3%) or problem-based learning/case studies (32.4%), while web-based modules would be their last choice (8.1%).

  12. Theoretical investigations of single particle spectroscopies of novel materials

    Energy Technology Data Exchange (ETDEWEB)

    Randeria, Mohit [The Ohio State Univ., Columbus, OH (United States)

    2017-02-24

    The project focused on three areas in the theoretical investigation of quantum materials. The first was novel magnetism in low dimensional systems, especially chiral magnetism and topological spin textures that can arise in thin films and at interfaces. The second related to high temperature superconductivity, and particularly on understanding puzzling features of quantum oscillations. The third related to collaborations with experimentalists on angle-resolved photoemission spectroscopy of high Tc superconductors and charge density wave materials.

  13. Active Galactic Nuclei Selected from GALEX Spectroscopy: The Ionizing Source Spectrum at z ~ 1

    Science.gov (United States)

    Barger, Amy J.; Cowie, Lennox L.

    2010-08-01

    We use a complete sample of Lyα-emission-line-selected active galactic nuclei (AGNs) obtained from nine deep blank fields observed with the grism spectrographs on the Galaxy Evolution Explorer (GALEX) satellite to measure the normalization and the spectral shape of the AGN contribution to the ionizing background (rest-frame wavelengths 700-900 Å) at z ~ 1. Our sample consists of 139 sources selected in the redshift range z = 0.65-1.25 in the near-ultraviolet (NUV; 2371 Å central wavelength) channel. The area covered is 8.2 deg2 to a NUV magnitude of 20.5 (AB) and 0.92 deg2 at the faintest magnitude limit of 21.8. The GALEX AGN luminosity function agrees well with those obtained using optical and X-ray AGN samples, and the measured redshift evolution of the ionizing volume emissivity is similar to that previously obtained by measuring the GALEX far-ultraviolet (FUV; 1528 Å central wavelength) magnitudes of an X-ray-selected sample. For the first time, we are able to construct the shape of the ionizing background at z ~ 1 in a fully self-consistent way. Based in part on data obtained from the Multimission Archive at the Space Telescope Science Institute (STScI). STScI is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS5-26555. Support for Multimission Archive at STScI (MAST) for non-HST data is provided by the NASA Office of Space Science via grant NAG5-7584 and by other grants and contracts. Based in part on data obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and NASA, and was made possible by the generous financial support of the W. M. Keck Foundation.

  14. Rapid Determination of Ionization Constants (pK a) by UV Spectroscopy Using 96-Well Microtiter Plates.

    Science.gov (United States)

    Martínez, Carlos H Ríos; Dardonville, Christophe

    2013-01-10

    We have developed a methodology that enables for the rapid measurement of ionization constants (pK a) of series of compounds by UV spectrophotometry. This protocol, which is straightforward to set up, takes advantage of the sensitivity of UV spectroscopy and the throughput enabled by the 96-well microplate (as opposed to the use of 1 cm quartz cuvette). The compounds, in stock solutions in DMSO, are dissolved in several aqueous buffer solutions directly in the microtiter plate, allowing the simultaneous determination of the UV spectra as a function of pH. Further treatment of the data provides the pK a values in a medium-throughput manner. The pK a values of 11 new antitrypanosomal dibasic compounds were determined using this methodology.

  15. Pulsed-field ionization electron spectroscopy and binding energies of alkali metal-dimethyl ether and -dimethoxyethane complexes.

    Science.gov (United States)

    Sohnlein, Bradford R; Li, Shenggang; Fuller, Jason F; Yang, Dong-Sheng

    2005-07-01

    Lithium and sodium complexes of dimethyl ether (DME) and dimethoxyethane (DXE) were produced by reactions of laser-vaporized metal atoms with organic vapors in a pulsed nozzle cluster source. The mono-ligand complexes were studied by photoionization and pulsed field ionization zero electron kinetic energy (ZEKE) spectroscopy. Vibrationally resolved ZEKE spectra were obtained for Li(DME), Na(DME) and Li(DXE) and a photoionization efficiency spectrum for Na(DXE). The ZEKE spectra were analyzed by comparing with the spectra of other metal-ether complexes and with electronic structure calculations and spectral simulations. Major vibrations measured for the M(DME) (M=Li,Na) ions were M-O and C-O stretches and M-O-C and C-O-C bends. These vibrations and additional O-Li-O and O-C-C-O bends were observed for the Li(DXE) ion. The M(DME) complexes were in C2v symmetry with the metal atom binding to oxygen, whereas Li(DXE) was in a C2 ring configuration with the Li atom attaching to both oxygen atoms. Moreover, the ionization energies of these complexes were measured from the ZEKE or photoionization spectra and bond dissociation energies were derived from a thermodynamic cycle.

  16. Raman spectroscopy investigations of chemically derived zigzag edge graphene nanoribbons

    Directory of Open Access Journals (Sweden)

    R. Nishinakagawa

    2013-09-01

    Full Text Available We fabricated graphene nanoribbons (GNRs chemically derived from expandable graphite. All GNRs exhibit atomically smooth edges that extended over their entire length. We investigated four of the fabricated GNRs using Raman spectroscopy. Two of the investigated GNRs show Raman spectra with a missing D-band peak, while D-band peaks can be clearly observed for the other two GNRs. The two GNRs which do not show the D-band peak are GNRs with zigzag edges, and the two other GNRs which show clearly the D-band peaks are possibly GNRs with armchair edges.

  17. The interplay between ionized gas and massive stars in the HII galaxy IIZw70: integral field spectroscopy with PMAS

    CERN Document Server

    Kehrig, C; Sánchez, S F; Telles, E; Pérez-Montero, E; Martin-Gordon, D

    2007-01-01

    We performed an integral field spectroscopic study for the HII galaxy IIZw70 in order to investigate the interplay between its ionized interstellar medium (ISM) and the massive star formation (SF). Observations were taken in the optical spectral range (3700-6800 A) with the Potsdam Multi-Aperture Spectrophotometer (PMAS) attached to the 3.5 m telescope at CAHA. We created and analysed maps of spatially distributed emission-lines, continuum emission and properties of the ionized ISM (e.g. physical-chemical conditions, dust extinction, kinematics). We investigated the relation of these properties to the spatial distribution and evolutionary stage of the massive stars. For the first time we detected the presence of Wolf-Rayet (WR) stars in this galaxy. The peak of the ionized gas emission coincides with the location of the WR bump. The region of the galaxy with lower dust extinction corresponds to the region that shows the lowest values of velocity dispersion and radial velocity. The overall picture suggests tha...

  18. Mysterious ionization in cooling flow filaments: a test with deep COS FUV spectroscopy

    Science.gov (United States)

    Tremblay, Grant

    2013-10-01

    The Cosmic Origins Spectrograph is capable of unraveling a two decade old mystery regarding the filamentary emission line nebulae found in the brightest cluster galaxies {BCGs} of cool core {CC} clusters. These kpc-scale filaments are characterized by elevated H-alpha luminosities and puzzling ionization states that cannot be accounted for by recombination or photionization alone, and are instead excited by an unknown ionization mechanism. The most hotly debated proposed solutions invoke thermal conduction, shocks, or cosmic-ray heating, but progress toward consensus awaits unambiguous spectral discriminants between these models that can only be found in the FUV. We propose deep {9 orbit}, off-nuclear observations of two strategically selected BCGs in well-studied cool core clusters with cross-spectrum archival datasets. We also propose a shorter {5 orbit} on-nuclear observation for one of our targets to assess possible AGN contributions to the spectra. These proposed observations represent critical tests that can unambiguously discriminate between the various candidate ionziation models. Constraining the mechanisms by which CC BCG filaments are excited remains one of the most important roadblocks to a better understanding of cooling from hot ambient medium to cold star forming clouds and filaments, a process important for both galaxy and black hole growth. It is therefore important that, before HST ends its mission and we lose FUV capability, we advance our understanding of this decades old mystery.

  19. Characterization of the chemical composition of a block copolymer by liquid chromotography/mass spectroscopy using atomspheric pressure chemical ionization and electrospray ionization

    NARCIS (Netherlands)

    van Leeuwen, S.M.; Tan, B.H.; Grijpma, Dirk W.; Feijen, Jan; Karst, U.

    2007-01-01

    Liquid chromatography/mass spectrometry (LC/MS) with electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) in the positive and negative ion modes was used for the characterization of a block copolymer consisting of methoxy poly(ethylene oxide) (mPEO), an -caprolactone

  20. Investigation of the hydrated 7-hydroxy-4-methylcoumarin dimer by combined IR/UV spectroscopy.

    Science.gov (United States)

    Stamm, A; Schwing, K; Gerhards, M

    2014-11-21

    The first molecular beam investigations on a coumarin dimer and clusters of a coumarin dimer with water both in the neutral (S0) and cationic (D0) electronic ground state are performed. The structure and structural changes due to ionization of the isolated 7-hydroxy-4-methylcoumarin dimer (7H4MC)2 as well as its mono- and dihydrate (7H4MC)2(H2O)1-2 are analyzed by applying combined IR/UV spectroscopy compared with density functional theory calculations. In case of the neutral dimer of 7H4MC a doubly hydrogen-bonded structure is formed. This doubly hydrogen-bonded arrangement opens to a singly hydrogen-bonded structure in the ion presenting a rearrangement reaction within an isolated dimer. By attaching one or two water molecules to the neutral 7H4MC dimer water is inserted into the hydrogen bonds. In contrast to the non-hydrated species this general binding motif with water in a bridging function does not change via ionization but especially for the dihydrate the spatial arrangement of the two 7H4MC units changes strengthening the interaction between the aromatic chromophores. The presented analyses illustrate the strong dependence of binding motifs as a function of successive hydration and charge including a rearrangement reaction.

  1. Investigation of the molecular conformations of ethanol using electron momentum spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ning, C G; Luo, Z H; Huang, Y R; Liu, K; Zhang, S F; Deng, J K [Department of Physics and Key Laboratory of Atomic and Molecular NanoSciences of MOE, Tsinghua University, Beijing 100084 (China); Hajgato, B; Morini, F; Deleuze, M S [Research Group of Theoretical Chemistry, Department SBG, Hasselt University, Agoralaan Gebouw D, B-3590 Diepenbeek (Belgium)], E-mail: ningcg@tsinghua.edu.cn, E-mail: djk-dmp@tsinghua.edu.cn, E-mail: michael.deleuze@uhasselt.be

    2008-09-14

    The valence electronic structure and momentum-space electron density distributions of ethanol have been investigated with our newly constructed high-resolution electron momentum spectrometer. The measurements are compared to thermally averaged simulations based on Kohn-Sham (B3LYP) orbital densities as well as one-particle Green's function calculations of ionization spectra and Dyson orbital densities, assuming Boltzmann's statistical distribution of the molecular structure over the two energy minima defining the anti and gauche conformers. One-electron ionization energies and momentum distributions in the outer-valence region were found to be highly dependent upon the molecular conformation. Calculated momentum distributions indeed very sensitively reflect the distortions and topological changes that molecular orbitals undergo due to the internal rotation of the hydroxyl group, and thereby exhibit variations which can be traced experimentally. The B3LYP model Kohn-Sham orbital densities are overall in good agreement with the experimental distributions, and closely resemble benchmark ADC(3) Dyson orbital densities. Both approaches fail to quantitatively reproduce the experimental momentum distributions characterizing the highest occupied molecular orbital. Since electron momentum spectroscopy measurements at various electron impact energies indicate that the plane wave impulse approximation is valid, this discrepancy between theory and experiment is tentatively ascribed to thermal disorder, i.e. large-amplitude and thermally induced dynamical distortions of the molecular structure in the gas phase.

  2. Investigation of the hydrated 7-hydroxy-4-methylcoumarin dimer by combined IR/UV spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Stamm, A.; Schwing, K.; Gerhards, M., E-mail: gerhards@chemie.uni-kl.de [TU Kaiserslautern, Fachbereich Chemie and Research Center Optimas, Erwin-Schroedinger-Straße 52, D-67663 Kaiserslautern (Germany)

    2014-11-21

    The first molecular beam investigations on a coumarin dimer and clusters of a coumarin dimer with water both in the neutral (S{sub 0}) and cationic (D{sub 0}) electronic ground state are performed. The structure and structural changes due to ionization of the isolated 7-hydroxy-4-methylcoumarin dimer (7H4MC){sub 2} as well as its mono- and dihydrate (7H4MC){sub 2}(H{sub 2}O){sub 1-2} are analyzed by applying combined IR/UV spectroscopy compared with density functional theory calculations. In case of the neutral dimer of 7H4MC a doubly hydrogen-bonded structure is formed. This doubly hydrogen-bonded arrangement opens to a singly hydrogen-bonded structure in the ion presenting a rearrangement reaction within an isolated dimer. By attaching one or two water molecules to the neutral 7H4MC dimer water is inserted into the hydrogen bonds. In contrast to the non-hydrated species this general binding motif with water in a bridging function does not change via ionization but especially for the dihydrate the spatial arrangement of the two 7H4MC units changes strengthening the interaction between the aromatic chromophores. The presented analyses illustrate the strong dependence of binding motifs as a function of successive hydration and charge including a rearrangement reaction.

  3. Nuclear structure studies of rare francium isotopes using Collinear Resonance Ionization Spectroscopy (CRIS)

    CERN Document Server

    AUTHOR|(CDS)2084441

    It was known for many years that nuclei possessing certain numbers of protons (Z) and neutrons (N), called the magic numbers (8,20,28,50,82,126...), exhibit characteristic behavior and are in general more stable than their neighboring isotopes. As the capabilities of producing isotopes with more extreme values of Z and N increased, it was realized that those spherical nuclei only represent a small fraction of the total number of isotopes and that most isotopes are deformed. In order to study exotic isotopes and their deformation, it was necessary to develop new experimental techniques that would be powerful enough to be able to cope with very small production yields, but precise enough to measure the nuclear properties (such as radii and moments) with relatively small uncertainties. One technique that can measure nuclear properties of scarcely produced isotopes is in-source resonant ionization, but this technique does not allow for sufficient precision to deduce nuclear quadrupole moments. Furthermore, this t...

  4. Analysis of the (1)A' S1 ← (1)A' S0 and (2)A' D0 ← (1)A' S1 band systems in 1,2-dichloro-4-fluorobenzene by means of resonance-enhanced-multi-photon-ionization (REMPI) and mass-analyzed-threshold-ionization (MATI) spectroscopy.

    Science.gov (United States)

    Krüger, Sascha; Grotemeyer, Jürgen

    2016-03-14

    Resonance enhanced multiphoton ionization (REMPI) and mass analyzed threshold ionization (MATI) spectroscopy have been applied in order to investigate the vibrational structure of 1,2-dichloro-4-fluorobenzene (1,2,4-DCFB) in its first excited state (S1) and the cationic ground state (D0). The selection of the state prior to ionization resulted in MATI spectra with different intensity distributions thus giving access to many vibrational levels. To support the experimental findings, geometry optimizations and frequency analyses at DFT (density functional) and TDDFT (time-dependent density functional) levels of theory have been applied. Additionally, a multidimensional Franck-Condon approach has been used to calculate the vibrational intensities from the DFT calculations. An excellent agreement between simulated and measured REMPI and MATI spectra allowed for a confident assignment of vibrational levels and mechanisms active during excitation and ionization. In order to avoid any ambiguity regarding the assignment of the vibrational bands to normal modes, Duschinsky normal mode analysis has been performed to correlate the ground state (S0) normal modes of 1,2,4-DCFB with the benzene derived Wilson nomenclature. From the REMPI spectra the electronic excitation energy (EE) of 1,2-dichloro-4-fluorobenzene could be determined to be 35 714 ± 2 cm(-1) while the MATI spectra yielded the adiabatic ionization energy (IE) of 1,2-dichloro-4-fluorobenzene which could be determined to be 73 332 ± 7 cm(-1).

  5. First-Principles Investigations on Thermal Conductivity and Average Ionization of CH Ablators Under Extreme Conditions

    Science.gov (United States)

    Hu, S. X.; Goncharov, V. N.; McCrory, R. L.; Skupsky, S.; Collins, L. A.; Kress, J. D.

    2015-11-01

    A plastic CH ablator (polystyrene) is often used for inertial confinement fusion (ICF) target designs. Upon intense laser or x-ray ablations, a CH ablator can be shocked to warm-dense-matter (WDM) conditions. Many-body coupling and quantum electron degeneracy are expected to play an essential role in determining the properties of such warm dense plasmas. Using ab initio methods of quantum molecular dynamics (QMD), we have performed investigations on the principal Hugoniot of a CH ablator, the first-principles equation-of-state table of CH, and its effect on ICF simulations. In this presentation, we focus on the thermal conductivity and average ionization of CH-ablators under a wide range of plasma temperatures and densities. The resulting thermal conductivity (κ) and average ionization () show large differences from the usual model predictions in the WDM regime. These results, being fitted with analytical functions of plasma density and temperature, have been incorporated into radiation -hydrodynamics codes. Their effects on the ICF implosion simulations will be presented. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944 and the Scientific Campaign 10 at LANL under Contract No. DE-AC52-06NA25396.

  6. Theoretical investigation of the competitive mechanism between dissociation and ionization of H₂⁺ in intense field.

    Science.gov (United States)

    Yao, Hongbin; Zhao, Guangjiu

    2014-10-01

    The competitive mechanism between dissociation and ionization of hydrogen molecular ion in intense field has been theoretically investigated by using an accurate non-Born-Oppenheimer method. The relative yield of fragments indicates that the dissociation and ionization channels are competitive with the increasing laser intensity from 5.0 × 10(13) to 2.0 × 10(14) W/cm(2). In the case of intensity lower than 1.0 × 10(14) W/cm(2), the dissociation channel is dominant, with a minor contribution from ionization. The mechanism of dissociation includes the contributions from the bond softening, bond hardening, below-threshold dissociation, and above-threshold dissociation, which are strongly dependent on the laser intensity and initial vibrational state. Furthermore, the ionization dominates over the dissociation channel at the highest intensity of 2.0 × 10(14) W/cm(2). The reasonable origin of ionization is ascribed as the above-threshold Coulomb explosion, which has been demonstrated by the space-time dependent ionization rate. Moreover, the competition mechanism between dissociation and ionization channels are displayed on the total kinetic energy resolved (KER) spectra, which could be tested at current experimental conditions.

  7. Comparative study of deep levels in HVPE and MOCVD GaN by combining O-DLTS and pulsed photo-ionization spectroscopy

    Science.gov (United States)

    Pavlov, J.; Čeponis, T.; Gaubas, E.; Meskauskaite, D.; Reklaitis, I.; Vaitkus, J.; Grigonis, R.; Sirutkaitis, V.

    2015-12-01

    Operational characteristics of sensors made of GaN significantly depend on technologically introduced defects acting as rapid traps of excess carriers which reduce charge collection efficiency of detectors. In order to reveal the prevailing defects in HVPE and MOCVD grown GaN, the carrier lifetime and photo-ionization spectra have been simultaneously measured by using microwave probed photo-conductivity transient technique. Several traps ascribed to impurities as well as vacancy and anti-site type defects have been identified in HVPE GaN material samples by combining photo-ionization and electron spin resonance spectroscopy. The optical deep level transient spectroscopy technique has been applied for spectroscopy of the parameters of thermal emission from the traps ascribed to technological defects in the Schottky barrier terrace structures fabricated on MOCVD GaN.

  8. Atomic jet with ionization detection for laser spectroscopy of Rydberg atoms under collisions and fields

    Science.gov (United States)

    Philip, G.

    2008-03-01

    An efficient atomic jet setup offering many unprecedented advantages over a conventional heat pipe setup used in multi-photon spectroscopy, mainly of alkaline-earth metals, has been constructed by a scheme in which the sample material is encapsulated in a disposable cartridge oven located inside a thermally stabilised heat-pipe and is made to effuse in to a row of atomic beams merging to form a jet target. This novel scheme combines the advantages of both high density atomic beam with convenient geometry for orthogonal excitation and high sensitive ionisation detection capabilities of thermionic diodes, besides eliminating several problems inherent in the usual heat-pipe operation. Out of various designs, typical results are presented for a linear heat-pipe with vertical atomic jet used in two-photon spectroscopy of highly excited states of Sr I. Controlled excitations of both Rydberg and non-Rydberg states, which cannot otherwise be accessed from the ground state due to parity and spectroscopic selection rules, have been achieved by employing a weak electric field complimented by collisions. The atomic jet setup is also found very useful for the study of collisional broadening and shift of excited states and time evolution of Rydberg atoms.

  9. FLASH SPECTROSCOPY: EMISSION LINES FROM THE IONIZED CIRCUMSTELLAR MATERIAL AROUND <10-DAY-OLD TYPE II SUPERNOVAE

    Energy Technology Data Exchange (ETDEWEB)

    Khazov, D.; Yaron, O.; Gal-Yam, A.; Manulis, I.; Rubin, A.; Ofek, E. O.; Horesh, A. [Benoziyo Center for Astrophysics, Faculty of Physics, The Weizmann Institute for Science, Rehovot 76100 (Israel); Kulkarni, S. R.; Kasliwal, M. M.; Cao, Y.; Perley, D. [Astronomy Department, California Institute of Technology, 1200 E. California Boulevard, Pasadena, CA 91125 (United States); Arcavi, I.; Howell, D. A. [Las Cumbres Observatory Global Telescope Network, 6740 Cortona Drive, Suite 102, Goleta, CA 93111 (United States); Sollerman, J. [The Oskar Klein Centre, Department of Astronomy, Stockholm University, AlbaNova, SE-10691 Stockholm (Sweden); Sullivan, M. [School of Physics and Astronomy, University of Southampton, Southampton, SO17 1BJ (United Kingdom); Filippenko, A. V.; Nugent, P. E. [Department of Astronomy, University of California, Berkeley, CA 94720-3411 (United States); Cenko, S. B. [Astrophysics Science Division, NASA Goddard Space Flight Center, Mail Code 661, Greenbelt, MD 20771 (United States); Silverman, J. M. [Department of Astronomy, University of Texas at Austin, Austin, TX 78712 (United States); Ebeling, H. [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States); and others

    2016-02-10

    Supernovae (SNe) embedded in dense circumstellar material (CSM) may show prominent emission lines in their early-time spectra (≤10 days after the explosion), owing to recombination of the CSM ionized by the shock-breakout flash. From such spectra (“flash spectroscopy”), we can measure various physical properties of the CSM, as well as the mass-loss rate of the progenitor during the year prior to its explosion. Searching through the Palomar Transient Factory (PTF and iPTF) SN spectroscopy databases from 2009 through 2014, we found 12 SNe II showing flash-ionized (FI) signatures in their first spectra. All are younger than 10 days. These events constitute 14% of all 84 SNe in our sample having a spectrum within 10 days from explosion, and 18% of SNe II observed at ages <5 days, thereby setting lower limits on the fraction of FI events. We classified as “blue/featureless” (BF) those events having a first spectrum that is similar to that of a blackbody, without any emission or absorption signatures. It is possible that some BF events had FI signatures at an earlier phase than observed, or that they lack dense CSM around the progenitor. Within 2 days after explosion, 8 out of 11 SNe in our sample are either BF events or show FI signatures. Interestingly, we found that 19 out of 21 SNe brighter than an absolute magnitude M{sub R} = −18.2 belong to the FI or BF groups, and that all FI events peaked above M{sub R} = −17.6 mag, significantly brighter than average SNe II.

  10. Thin-Layer Chromatography/Desorption Electrospray Ionization Mass Spectrometry: Investigation of Goldenseal Alkaloids

    Energy Technology Data Exchange (ETDEWEB)

    Van Berkel, Gary J [ORNL; Tomkins, Bruce A [ORNL; Kertesz, Vilmos [ORNL

    2007-01-01

    Desorption electrospray ionization mass spectrometry was investigated as a means to qualitatively identify and to quantify analytes directly from developed normal-phase thin layer chromatography plates. The atmospheric sampling capillary of a commercial ion trap mass spectrometer was extended to permit sampling and ionization of analytes in bands separated on intact TLC plates (up to 10 cm x 10 cm). A surface positioning software package and the appropriate hardware enabled computer-controlled surface scanning along the length of development lanes or at fixed RF value across the plates versus the stationary desorption electrospray emitter. Goldenseal (Hydrastis canadensis) and related alkaloids and commercial dietary supplements were used as standards and samples. Alkaloid standards and samples were spotted and separated on aluminum- or glass-backed plates using established literature methods. The mass spectral signal levels as a function of desorption spray solvent were investigated with acetonitrile proving superior to methanol. The detection levels (ca. 5 ng each or 14 -28 pmol) in mass spectral full scan mode were determined statistically from the calibration curves (2.5 - 100 pmol) for the standards berberine, palmatine and hydrastinine spotted as a mixture and separated on the plates. Qualitative screening of the major alkaloids present in six different over-the-counter "goldenseal" dietary supplements was accomplished by obtaining full scan mass spectra during surface scans along the development lane in the direction of increasing RF value. In one sample, alkaloids were detected that strongly suggested the presence of at least one additional herb undeclared on the product label. These same data indicated the misidentification of one of the alkaloids in the TLC literature. Quantities of the alkaloids present in two of the samples determined using the mass spectral data were in reasonable agreement with the label values indicating the quantitative ability of

  11. Investigation of radiosterilization of Benzydamine Hydrochloride by electron spin resonance spectroscopy

    Science.gov (United States)

    Çolak, Şeyda

    2016-10-01

    The use of ionizing radiation for sterilization of pharmaceuticals is an attractive and growing technology. In the present work, the spectroscopic and kinetic features of the radicals induced in gamma irradiated solid Benzydamine Hydrochloride (BH) sample is investigated in the dose range of 3-34 kGy at different temperatures using Electron Spin Resonance (ESR) spectroscopy. Gamma irradiated BH indicated eight resonance peaks centered at g=2.0029 originating from two different radical species. Decay activation energy of the radical mostly responsible from central intense resonance line was calculated to be 25.6±1.5 kJ/mol by using the signal intensity decay data derived from annealing studies performed at high temperatures. A linear function of the applied dose was found to describe best the experimental dose-response data. However, the discrimination of irradiated BH from unirradiated one was possible even 3 months after storage at normal conditions. Basing on these findings it was concluded that BH and BH containing drugs could be safely sterilized by gamma radiation and that ESR spectroscopy could be successfully used as a potential technique for monitoring their radiosterilizations.

  12. NIRS - Near infrared spectroscopy - investigations in neurovascular diseases

    DEFF Research Database (Denmark)

    Schytz, Henrik Winther

    2015-01-01

    in cerebral blood flow (CBF), the first study investigated a multi-source detector separation configuration and indocyanine green (ICG) as a tracer to calculate a corrected blood flow index (BFI) value. The study showed no correlation between CBF changes measured by 133Xenon single photon emission computer......The purpose of this thesis was to explore and develop methods, where continuous wave near infrared spectroscopy (CW-NIRS) can be applied in different neurovascular diseases, in order to find biological markers that are useful in clinical neurology. To develop a new method to detect changes...... tomography (133Xe-SPECT) and the corrected BFI value. It was concluded, that it was not possible to obtain reliable BFI data with the ICG CW-NIRS method. NIRS measurements of low frequency oscillations (LFOs) may be a reliable method to investigate vascular alterations in neurovascular diseases...

  13. Investigating the Hydration of CM2 meteorites by IR spectroscopy

    CERN Document Server

    Góbi, S; Beck, P; Quirico, E; Schmidt, B

    2014-01-01

    Chondritic meteorites are of great interest since they are one of the most ancient remnants of the early solar system. Some of them, like the carbonaceous CM meteorites experienced aqueous alteration thus their olivine content transformed more or less into hydrated silicates such as phyllosilicates. These hydrated CM2 meteorites have been investigated in KBr pellets by means of Fourier transform infrared (FT-IR) spectroscopy. In our focus of interest was to study the 3 and 10 $\\mu$m (3000 and 1000 cm$^{-1}$, the O$-$H and silicate streching) bands of several CM2 chondrites. By investigating these signals the water content and the extent of hydration can be determined. In order to achieve this, development of a new pellet production method was essential. This technique facilitates the elimination of adsorbed water coming from the surrounding environment, which would complicate correct interpretation of the results.

  14. Investigation of multilayer painting by means of molecular spectroscopy

    Science.gov (United States)

    Kadikova, I. F.; Grigorieva, I. A.

    2016-12-01

    The study of paintings' layer structure under microscope was implemented in the early XX century; since that time method of cross-section preparation as well as composition of embedded materials changed and capabilities of optical microscopy broadened. Nevertheless, until recently cross-sections were prepared only for analysis of paintings' layer-specific structure, morphological and technological features, tracks of restoration treatments. Examination of chemical composition required additional sampling as well as division of these samples layer by layer in order to determine pigments and binding media; these procedures didn't always lead to proper results. Micro-Raman and micro-FTIR spectroscopy allow carrying out investigation of painting cross-sections without any additional preliminary sampling; this is shown on example of investigation of a number of paintings.

  15. Investigation of multilayer painting by means of molecular spectroscopy

    Directory of Open Access Journals (Sweden)

    Kadikova I.F.

    2017-01-01

    Full Text Available The study of paintings’ layer structure under microscope was implemented in the early XX century; since that time method of cross-section preparation as well as composition of embedded materials changed and capabilities of optical microscopy broadened. Nevertheless, until recently cross-sections were prepared only for analysis of paintings’ layer-specific structure, morphological and technological features, tracks of restoration treatments. Examination of chemical composition required additional sampling as well as division of these samples layer by layer in order to determine pigments and binding media; these procedures didn’t always lead to proper results. Micro-Raman and micro-FTIR spectroscopy allow carrying out investigation of painting cross-sections without any additional preliminary sampling; this is shown on example of investigation of a number of paintings.

  16. CHANDRA LETGS spectroscopy of ionized absorbers: The quasar MR 2251-178

    Science.gov (United States)

    Ramírez, J. M.; Komossa, S.; Burwitz, V.; Mathur, S.

    2008-04-01

    We analyze the Chandra Low Energy Transmission Grating Spectrometer (LETGS) observation of the quasar MR 2251-178. The warm absorber of MR 2251-178 is well described by a hydrogen column density of ≈ 2×10(21) cm(-2) , an ionization parameter log(xi) ≈ 0.6, and a global best-fit outflow velocity of ≈ -1100 km s(-1) . We find in the spectrum evidence of narrow absorption lines. The K_alpha and K_beta transitions of C VI and N VI ions display an outflow with (at least three) components traveling at ≈ -600, -2000 and -3000 km s(-1) . We measure a (0.1-2) keV flux of 2.58_{-0.04} (+0.03) ×10(-11) erg s cm(-2) s(-1) , and a (2-10) keV flux of 1.64_{-0.05} (+0.05) × 10(-11) erg s cm(-2) s(-1) . This flux implies that the nuclear source of MR 2251-178 is in a relatively low state. We did not find evidence for an extra cold material in the line of sight, that would be associated to the giant [O III] emission region surrounding the nucleus of MR 2251-178. If present, we can set an upper limit of ≈ 1.2×10(20) cm(-2) . The X-ray spectrum does not appear to show evidence for dusty material, though an upper limit in the neutral carbon and oxygen column densities can only be set to N_{CI} ≈ 2×10(19) cm(-2) and N_{OI} ≈ 9×10(19) cm(-2) , respectively.

  17. Deuterium isotope effects on acid ionization and transition metal hydrolysis at reactor conditions by Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yacyshyn, M.; Madekufamba, M.; Tremaine, P. [Univ. of Guelph, Dept. of Chemistry, Guelph, Ontario (Canada)

    2011-07-01

    This paper reports the preliminary measurements from an experimental study to measure the small differences between light (H{sub 2}O) and heavy (D{sub 2}O) water under reactor operating conditions (250-300 {sup o}C, 10 MPa), using Raman spectroscopy. The deuterium isotope effect δpK = pK{sub D2O} - pK{sub H2O}, for sodium bisulphate NaDSO{sub 4} and phosphoric acid D{sub 3}PO{sub 4}, has now been determined at temperatures of 25 {sup o}C and 80 {sup o}C by measuring the isotropic Raman spectra at different concentrations. The results for the pK and ΔpK at 25 {sup o}C agree with the literature, confirming the reliability of the method. High temperature cells have been constructed. (author)

  18. The Collinear Resonance Ionization Spectroscopy (CRIS) experimental setup at CERN-ISOLDE

    CERN Document Server

    Cocolios, T E; Procter, T J; Rothe, S; Garcia Ruiz, R F; Stroke, H H; Rossel, R E; Heylen, H; Franchoo, S; Marsh, B A; Verney, D; Papuga, J; Strashnov, I; Billowes, J; de Groote, R P; Le Blanc, F; Simpson, G S; Fedosseev, V N; Lynch, K M; Wood, R T; Budincevic, I; Mason, P J R; Wendt, K D A; Flanagan, K T; De Schepper, S; Rajabali, M M; Al Suradi, H H; Walker, P M; Smith, A J

    2013-01-01

    The CRIS setup at CERN-ISOLDE is a laser spectroscopy experiment dedicated to the high-resolution study of the spin, hyperfine structure and isotope shift of radioactive nuclei with low production rates (a few per second). It combines the Doppler-free resolution of the in-flight collinear geometry with the high detection efficiency of resonant ionisation. A recent commissioning campaign has demonstrated a 1\\% experimental efficiency, and as low as a 0.001\\% non-resonant ionisation. The current status of the experiment and its recent achievements with beams of francium isotopes are reported. The first identified systematic effects are discussed. (C) 2013 The Authors. Published by Elsevier B.V. All rights reserved.

  19. Investigating albendazole desmotropes by solid-state NMR spectroscopy.

    Science.gov (United States)

    Chattah, Ana K; Zhang, Rongchun; Mroue, Kamal H; Pfund, Laura Y; Longhi, Marcela R; Ramamoorthy, Ayyalusamy; Garnero, Claudia

    2015-03-02

    Characterization of the molecular structure and physicochemical solid-state properties of the solid forms of pharmaceutical compounds is a key requirement for successful commercialization as potential active ingredients in drug products. These properties can ultimately have a critical effect on the solubility and bioavailability of the final drug product. Here, the desmotropy of Albendazole forms I and II was investigated at the atomic level. Ultrafast magic angle spinning (MAS) solid-state nuclear magnetic resonance (NMR) spectroscopy, together with powder X-ray diffraction, thermal analysis, and Fourier transform infrared spectroscopy, were performed on polycrystalline samples of the two solids in order to fully characterize and distinguish the two forms. High-resolution one-dimensional (1)H, (13)C, and (15)N together with two-dimensional (1)H/(1)H single quantum-single quantum, (1)H/(1)H single quantum-double quantum, and (1)H/(13)C chemical shift correlation solid-state NMR experiments under MAS conditions were extensively used to decipher the intramolecular and intermolecular hydrogen bonding interactions present in both solid forms. These experiments enabled the unequivocal identification of the tautomers of each desmotrope. Our results also revealed that both solid forms may be described as dimeric structures, with different intermolecular hydrogen bonds connecting the tautomers in each dimer.

  20. Direct observation of ring-opening dynamics in strong-field ionized selenophene using femtosecond inner-shell absorption spectroscopy

    Science.gov (United States)

    Lackner, Florian; Chatterley, Adam S.; Pemmaraju, C. D.; Closser, Kristina D.; Prendergast, David; Neumark, Daniel M.; Leone, Stephen R.; Gessner, Oliver

    2016-12-01

    Femtosecond extreme ultraviolet transient absorption spectroscopy is used to explore strong-field ionization induced dynamics in selenophene (C4H4Se). The dynamics are monitored in real-time from the viewpoint of the Se atom by recording the temporal evolution of element-specific spectral features near the Se 3d inner-shell absorption edge (˜58 eV). The interpretation of the experimental results is supported by first-principles time-dependent density functional theory calculations. The experiments simultaneously capture the instantaneous population of stable molecular ions, the emergence and decay of excited cation states, and the appearance of atomic fragments. The experiments reveal, in particular, insight into the strong-field induced ring-opening dynamics in the selenophene cation, which are traced by the emergence of non-cyclic molecules as well as the liberation of Se+ ions within an overall time scale of approximately 170 fs. We propose that both products may be associated with dynamics on the same electronic surfaces but with different degrees of vibrational excitation. The time-dependent inner-shell absorption features provide direct evidence for a complex relaxation mechanism that may be approximated by a two-step model, whereby the initially prepared, excited cyclic cation decays within τ1 = 80 ± 30 fs into a transient molecular species, which then gives rise to the emergence of bare Se+ and ring-open cations within an additional τ2 = 80 ± 30 fs. The combined experimental and theoretical results suggest a close relationship between σ* excited cation states and the observed ring-opening reactions. The findings demonstrate that the combination of femtosecond time-resolved core-level spectroscopy with ab initio estimates of spectroscopic signatures provide new insights into complex, ultrafast photochemical reactions such as ring-opening dynamics in organic molecules in real-time and with simultaneous sensitivity for electronic and structural

  1. Analysis of ionization wave dynamics in low-temperature plasma jets from fluid modeling supported by experimental investigations

    Science.gov (United States)

    Yousfi, M.; Eichwald, O.; Merbahi, N.; Jomaa, N.

    2012-08-01

    This work is devoted to fluid modeling based on experimental investigations of a classical setup of a low-temperature plasma jet. The latter is generated at atmospheric pressure using a quartz tube of small diameter crossed by helium gas flow and surrounded by an electrode system powered by a mono-polar high-voltage pulse. The streamer-like behavior of the fast plasma bullets or ionization waves launched in ambient air for every high-voltage pulse, already emphasized in the literature from experimental or analytical considerations or recent preliminary fluid models, is confirmed by a numerical one-moment fluid model for the simulation of the ionization wave dynamics. The dominant interactions between electron and the main ions present in He-air mixtures with their associated basic data are taken into account. The gradual dilution of helium in air outside the tube along the axis is also considered using a gas hydrodynamics model based on the Navier-Stokes equation assuming a laminar flow. Due to the low magnitude of the reduced electric field E/N (not exceeding 15 Td), it is first shown that consideration of the stepwise ionization of helium metastables is required to reach the critical size of the electron avalanches in order to initiate the formation of ionization waves. It is also shown that a gas pre-ionization ahead of the wave front of about 109 cm-3 (coming from Penning ionization without considering the gas photo-ionization) is required for the propagation. Furthermore, the second ionization wave experimentally observed during the falling time of the voltage pulse, between the powered electrode and the tube exit, is correlated with the electric field increase inside the ionized channel in the whole region between the electrode and the tube exit. The propagation velocity and the distance traveled by the front of the ionization wave outside the tube in the downstream side are consistent with the present experimental measurements. In comparison with the

  2. Deep high spectral resolution spectroscopy and chemical composition of ionized nebulae

    CERN Document Server

    Esteban, C; Mesa-Delgado, A; Cipriano, L Toribio San

    2013-01-01

    High spectral resolution spectroscopy has proved to be very useful for the advancement of chemical abundances studies in photoionized nebulae, such as H II regions and planetary nebulae (PNe). Classical analyses make use of the intensity of bright collisionally excited lines (CELs), which have a strong dependence on the electron temperature and density. By using high resolution spectrophotometric data, our group has led the determination of chemical abundances of some heavy element ions, mainly O++, O+ and C++ from faint recombination lines (RLs), allowing us to deblend them from other nearby emission lines or sky features. The importance of these lines is that their emissivity depends weakly on the temperature and density structure of the gas. The unresolved issue in this field is that recombination lines of heavy element ions give abundances that are about 2-3 times higher than those derived from CELs -in H II regions- for the same ion, and can even be a factor of 70 times higher in some PNe. This uncertain...

  3. Raman spectroscopy as a tool for investigating lipid protein interactions

    DEFF Research Database (Denmark)

    Petersen, Frederic Nicolas Rønne; Helix Nielsen, Claus

    2009-01-01

    Raman spectroscopy is a very well-established technique for noninvasive probing of chemical compounds. The fad that Raman scattering is an inherently weak effect has prompted many new developments in sample signal enhancement and techniques (such as surface-enhancement Raman spectroscopy [SERS]) ...... to study using noninvasive vibrational spectroscopy....

  4. heterojunction interface investigated by X-ray photoemission spectroscopy

    Science.gov (United States)

    Lin, Lingyan; Yu, Jinling; Cheng, Shuying; Lu, Peimin; Lai, Yunfeng; Lin, Sile; Zhao, Pengyi

    2014-09-01

    The band alignment at the In2S3/Cu2ZnSnS4 heterojunction interface is investigated by X-ray photoemission spectroscopy. In2S3 is thermally evaporated onto the contamination-free polycrystalline Cu2ZnSnS4 surface prepared by magnetron sputtering. The valence band offset is measured to be 0.46 ± 0.1 eV, which matches well with the valance band offset value 0.49 eV calculated using "transitivity" method. The conduction band offset is determined to be 0.82 ± 0.1 eV, indicating a `type I' band alignment at the heterojunction interface.

  5. Protein Interactions Investigated by the Raman Spectroscopy for Biosensor Applications

    Directory of Open Access Journals (Sweden)

    R. P. Kengne-Momo

    2012-01-01

    Full Text Available Interaction and surface binding characteristics of staphylococcal protein A (SpA and an anti-Escherichia coli immunoglobulin G (IgG were studied using the Raman spectroscopy. The tyrosine amino acid residues present in the α-helix structure of SpA were found to be involved in interaction with IgG. In bulk interaction condition the native structure of proteins was almost preserved where interaction-related changes were observed in the overall secondary structure (α-helix of SpA. In the adsorbed state, the protein structure was largely modified, which allowed the identification of tyrosine amino acids involved in SpA and IgG interaction. This study constitutes a direct Raman spectroscopic investigation of SpA and IgG (receptor-antibody interaction mechanism in the goal of a future biosensor application for detection of pathogenic microorganisms.

  6. Strong resistance of Arabidopsis thaliana and Raphanus sativus seeds for ionizing radiation as studied by ESR, ENDOR, ESE spectroscopy and germination measurement: Effect of long-lived and super-long-lived radicals

    Science.gov (United States)

    Kumagai, Jun; Katoh, Hiromi; Kumada, Takayuki; Tanaka, Atsushi; Tano, Shigemitsu; Miyazaki, Tetsuo

    2000-01-01

    Resistance of seeds for ionizing radiation effects on Arabidopsis thaliana and Raphanus sativus seeds were investigated by ESR, ENDOR, ESE spectroscopy and germination measurement. Two types of free radicals, such as long-lived (LL) and super-long-lived (SL) radicals, were produced by the γ-irradiation in the seeds. More than 90% of the 1 kGy-irradiated-seeds can germinate probably by decreasing the LL radicals by absorbing water. 10 kGy-irradiated-seeds cannot germinate at all probably due to the existence of significant amounts of the SL radicals even after absorbing water.

  7. Strong resistance of Arabidopsis thaliana and Raphanus sativus seeds for ionizing radiation as studied by ESR, ENDOR, ESE spectroscopy and germination measurement: Effect of long-lived and super-long-lived radicals

    Energy Technology Data Exchange (ETDEWEB)

    Kumagai, Jun E-mail: kumagai@apchem.nagoya-u.ac.jp; Katoh, Hiromi; Kumada, Takayuki; Tanaka, Atsushi; Tano, Shigemitsu; Miyazaki, Tetsuo

    2000-01-01

    Resistance of seeds for ionizing radiation effects on Arabidopsis thaliana and Raphanus sativus seeds were investigated by ESR, ENDOR, ESE spectroscopy and germination measurement. Two types of free radicals, such as long-lived (LL) and super-long-lived (SL) radicals, were produced by the {gamma}-irradiation in the seeds. More than 90% of the 1 kGy-irradiated-seeds can germinate probably by decreasing the LL radicals by absorbing water. 10 kGy-irradiated-seeds cannot germinate at all probably due to the existence of significant amounts of the SL radicals even after absorbing water. (author)

  8. Infrared investigation of hard human teeth tissues exposed to various doses of ionizing radiation from the 1986 Chernobyl accident

    OpenAIRE

    Darchuk, L. A.; Zaverbna, L. V.; Bebeshko, V. G.; Worobiec, A.; Stefaniak, E. A.; Van Grieken, R.

    2008-01-01

    Infrared spectroscopy (IR) was applied to study changes in solid teeth tissues of persons exposed to low (0.12–0.20 Gy) and high (0.5–1.7 Gy) doses of ionizing radiation during their work in the Chernobyl zone after the accident. Changes in the inorganic and organic matrix of teeth were noted for both high and low radiation doses. The obtained results demonstrated that high doses of radiation lead to imbalance between phosphate–carbonate phases level (because of increasing of CO32− content) a...

  9. Using NMR Spectroscopy to Investigate the Solution Behavior of Nerve Agents and Their Binding to Acetylcholinesterase

    Science.gov (United States)

    2016-01-01

    USING NMR SPECTROSCOPY TO INVESTIGATE THE SOLUTION BEHAVIOR OF NERVE AGENTS AND THEIR BINDING TO...XX-01-2016 2. REPORT TYPE Final 3. DATES COVERED (From - To) Jan – Jun 2015 4. TITLE AND SUBTITLE Using NMR Spectroscopy to Investigate the...MOLECULAR MOTIONS AND NMR SPECTROSCOPY ...................................................................................................3 4. THE

  10. Chemical analysis of surfaces by resonance ionization mass spectroscopy associated to ionic pulverization; Analyse chimique de surfaces par spectrometrie d`ionisation resonante associee a la pulverisation ionique

    Energy Technology Data Exchange (ETDEWEB)

    Kern, P.

    1995-12-19

    This work shows that if resonance ionization mass spectroscopy was first applied in isotopic separation, it`s also an analyzing method adapted to the study of semi-conductor materials and thin foils. We have improved this technic: a neodymium laser coupled with a dye laser, a new argon ions gun, a gallium ions gun and a new collection optic for the secondary ions quadrupole spectrometer to allow quantitative and selective measurements. (S.G.). 84 refs.

  11. In vivo diffuse correlation spectroscopy investigation of the ocular fundus

    Science.gov (United States)

    Cattini, Stefano; Staurenghi, Giovanni; Gatti, Antonietta; Rovati, Luigi

    2013-05-01

    Diffuse correlation spectroscopy (DCS) measurements in vivo recorded from rabbits' ocular fundus are presented. Despite the complexity of these ocular tissues, we provide a clear and simple demonstration of the DCS abilities to analyze variations in physiological quantities of clinical interest. Indeed, the reported experimental activities demonstrate that DCS can reveal both choroidal-flow and temperature variations and detect nano- and micro-aggregates in ocular fundus circulation. Such abilities can be of great interest both in fundamental research and practical clinical applications. The proposed measuring system can be useful in: (a) monitoring choroidal blood flow variations, (b) determining the end-point for photo-dynamic therapy and transpupillary thermo therapy and, (c) managing the dye injection and determining an end-point for dye-enhanced photothrombosis. Moreover, it could allow both diagnoses when the presence of nano- and micro-aggregates is related to specific diseases and verifying the effects of nanoparticle injection in nanomedicine. Even though the reported results demonstrate the applicability of DCS to investigate ocular fundus, a detailed and accurate investigation of the limits of detection is beyond the scope of this article.

  12. Raman spectroscopy as a tool for investigating lipid protein interactions

    DEFF Research Database (Denmark)

    Petersen, Frederic Nicolas Rønne; Helix Nielsen, Claus

    2009-01-01

    Raman spectroscopy is a very well-established technique for noninvasive probing of chemical compounds. The fad that Raman scattering is an inherently weak effect has prompted many new developments in sample signal enhancement and techniques (such as surface-enhancement Raman spectroscopy [SERS......]) as well as improved technical equipment for signal capture (such as improved sensitivity of charge-coupled devices [CCDs]). Combined, these technological advances have brought Raman spectroscopy into a new era in which hitherto inaccessible or hardly accessible research areas now are becoming possible...... to study using noninvasive vibrational spectroscopy....

  13. Theoretical and experimental investigation of (e,2e) ionization of argon 3p in asymmetric kinematics at intermediate energy

    Science.gov (United States)

    Amami, Sadek; Ulu, Melike; Ozer, Zehra Nur; Yavuz, Murat; Kazgoz, Suay; Dogan, Mevlut; Zatsarinny, Oleg; Bartschat, Klaus; Madison, Don

    2014-07-01

    The field of electron-impact ionization of atoms, or (e,2e), has provided significant detailed information about the physics of collisions. For ionization of hydrogen and helium, essentially exact numerical methods have been developed which can correctly predict what will happen. For larger atoms, we do not have theories of comparable accuracy. Considerable attention has been given to ionization of inert gases and, of the inert gases, argon seems to be the most difficult target for theory. There have been several studies comparing experiment and perturbative theoretical approaches over the last few decades, and generally qualitative but not quantitative agreement is found for intermediate energy incident electrons. Recently a nonperturbative method, the B-spline R-matrix (BSR) method, was introduced which appears to be very promising for ionization of heavier atoms. We have recently performed an experimental and theoretical investigation for ionization of argon, and we found that, although the BSR gave reasonably good agreement with experiment, there were also some cases of significant disagreement. The previous study was performed for 200-eV incident electrons and ejected electron energies of 15 and 20 eV. The purpose of the present work is to extend this study to a much larger range of ejected electron energies (15-50 eV) to see if theory gets better with increasing energy as would be expected for a perturbative calculation. The experimental results are compared with both the BSR and two different perturbative calculations.

  14. Theoretical investigation of incomplete ionization of dopants in uniform and ion-implanted 4H-SiC MESFETs

    Institute of Scientific and Technical Information of China (English)

    王守国; 张义门; 张玉明

    2003-01-01

    The effects of incomplete ionization ofnitrogen in 4H-SiC have been investigated. Poisson's equation is numerically analysed by considering the effects of Poole-Frenkel, and the effects of the potential on Nd+ (the concentration of ionized donors) and n (the concentration of electrons). The pinch-off voltages of the uniform and the ion-implanted channels of 4H-SiC metal-semiconductor field-effect transistors (MESFETs) and the capacitance of the gate are given at different temperatures. Both the Poole-Frenkel effect and the potential have influence on the pinch-off voltage VP of 4H-SiC MESFETs. Although the C-V characteristics of the ion-implanted and the uniform channel of 4H-SiC MESFETs have a clear distinction, the effects of incomplete ionization on the C-V characteristics are not significant.

  15. Molecular-orbital decomposition of the ionization continuum for a diatomic molecule by angle- and energy-resolved photoelectron spectroscopy. I. Formalism

    Science.gov (United States)

    Park, Hongkun; Zare, Richard N.

    1996-03-01

    A theoretical formalism is developed for the quantum-state-specific photoelectron angular distributions (PADs) from the direct photoionization of a diatomic molecule in which both the ionizing state and the state of the ion follow Hund's case (b) coupling. The formalism is based on the molecular-orbital decomposition of the ionization continuum and therefore fully incorporates the molecular nature of the photoelectron-ion scattering within the independent electron approximation. The resulting expression for the quantum-state-specific PADs is dependent on two distinct types of dynamical quantities, one that pertains only to the ionization continuum and the other that depends both on the ionizing state and the ionization continuum. Specifically, the electronic dipole-moment matrix element rlλ exp(iηlλ) for the ejection of a photoelectron with orbital angular momentum quantum number l making a projection λ on the internuclear axis is expressed as ΣαλŪlαλλ exp (iπτ¯αλλ) Mαλλ, where Ūλ is the electronic transformation matrix, τ¯αλλ is the scattering phase shift associated with the αλth continuum molecular orbital, and Mαλλ is the real electronic dipole-moment matrix element that connects the ionizing orbital to the αλth continuum molecular orbital. Because Ūλ and τ¯αλλ depend only on the dynamics in the ionization continuum, this formalism allows maximal exploitation of the commonality between photoionization processes from different ionizing states. It also makes possible the direct experimental investigation of scattering matrices for the photoelectron-ion scattering and thus the dynamics in the ionization continuum by studying the quantum-state-specific PADs, as illustrated in the companion article on the photoionization of NO.

  16. Electron-transfer acceleration investigated by time resolved infrared spectroscopy.

    Science.gov (United States)

    Vlček, Antonín; Kvapilová, Hana; Towrie, Michael; Záliš, Stanislav

    2015-03-17

    discussed process, back-ET in a porphyrin-Re(I)(CO)3(N,N) dyad, demonstrates that formation of a hot product accelerates highly exergonic ET in the Marcus inverted region. Overall, it follows that ET can be accelerated by enhancing the electronic interaction and by vibrational excitation of the reacting system and its medium, stressing the importance of quantum nuclear dynamics in ET reactivity. These effects are experimentally accessible by time-resolved vibrational spectroscopies (IR, Raman) in combination with quantum chemical calculations. It is suggested that structural dynamics play different mechanistic roles in light-triggered ET involving electronically excited donors or acceptors than in ground-state processes. While TRIR spectroscopy is well suitable to elucidate ET processes on a molecular-level, transient 2D-IR techniques combining optical and two IR (or terahertz) laser pulses present future opportunities for investigating, driving, and controlling ET.

  17. Study of the molecular structure, ionization spectrum, and electronic wave function of 1,3-butadiene using electron momentum spectroscopy and benchmark Dyson orbital theories

    Science.gov (United States)

    Deleuze, M. S.; Knippenberg, S.

    2006-09-01

    The scope of the present work is to reconcile electron momentum spectroscopy with elementary thermodynamics, and refute conclusions drawn by Saha et al. in J. Chem. Phys. 123, 124315 (2005) regarding fingerprints of the gauche conformational isomer of 1,3-butadiene in electron momentum distributions that were experimentally inferred from gas phase (e,2e) measurements on this compound [M. J. Brunger et al., J. Chem. Phys. 108, 1859 (1998)]. Our analysis is based on thorough calculations of one-electron and shake-up ionization spectra employing one-particle Green's function theory along with the benchmark third-order algebraic diagrammatic construction [ADC(3)] scheme. Accurate spherically averaged electron momentum distributions are correspondingly computed from the related Dyson orbitals. The ionization spectra and Dyson orbital momentum distributions that were computed for the trans-conformer of 1,3-butadiene alone are amply sufficient to quantitatively unravel the shape of all available experimental (e,2e) electron momentum distributions. A comparison of theoretical ADC(3) spectra for the s-trans and gauche energy minima with inner- and outer-valence high-resolution photoelectron measurements employing a synchrotron radiation beam [D. M. P. Holland et al., J. Phys. B 29, 3091 (1996)] demonstrates that the gauche structure is incompatible with ionization experiments in high-vacuum conditions and at standard temperatures. On the other hand, outer-valence Green's function calculations on the s-trans energy minimum form and approaching basis set completeness provide highly quantitative insights, within ˜0.2eV accuracy, into the available experimental one-electron ionization energies. At last, analysis of the angular dependence of relative (e,2e) ionization intensities nicely confirms the presence of one rather intense π-2 π*+1 satellite at ˜13.1eV in the ionization spectrum of the s-trans conformer.

  18. Total and ionization cross-sections of N2 and CO by positron impact: Theoretical investigations

    Indian Academy of Sciences (India)

    Harshit N Kothari; K N Joshipura

    2011-03-01

    In this paper we report our calculations on several important total cross-sections (TCS) of positron impact on isoelectronic N2 and CO molecules, treated in the complex spherical potential formalism. Basically the total (complete) cross-section T consists of elastic and inelastic contributions. Our total inelastic cross-section (inel) contains ionization and electronic excitations together with positronium formation. Our goal here is to bifurcate inel further to deduce total ionization cross-section, using the `complex scattering potential–ionization contribution’ (CSP-ic) method of electron–atom/molecule scattering. The present range of positron energy is 15–2000 eV. All the resulting cross-sections are in a good general accord with the existing data. This work highlights the importance of various scattering channels in + - 2 and + - CO interactions at intermediate and high energies.

  19. Molecular-level investigation on electrochemical interfaces by Raman spectroscopy

    Institute of Scientific and Technical Information of China (English)

    TIAN, Zhong-Qun; REN, Bin

    2000-01-01

    The structure and dynamics of electrode/liquid interfaces play an increasingly important role in electrochemistry. Raman spectroscopy is capable of providing detailed structural information at molecular level and new insight into the interfacial structure, adsorption, reaction, electrocatalysis and corrosion. In this account we will summarize some progresses of surface Raman spectroscopy in the study of electrochemical interfaces, mainly based on our group's work, laying emphasis on the detection sensitivity, spectral resolution, time resolution and spatial resolution as well as the hyphenated technique.

  20. The He II Emitting Nebula N44C in the LMC Optical\\/UV Spectroscopy of the Nebula and its Ionizing Star

    CERN Document Server

    Garnett, D R; Chu, Y H; Garnett, Donald R.; Galarza, Vanessa C.; Chu, You-Hua

    2000-01-01

    We present HST spectroscopy and imaging, along with new ground-based spectroscopy and ROSAT HRI imaging, of the He II emitting nebula N44C and its ionizing star. A GHRS spectrogram of the ionizing star yields a spectral type of about O7 for the star. The lack of P Cygni profiles for Si IV and C IV indicates that the star is not a supergiant. The nebular abundances in the ionized gas are consistent with average abundances for LMC H II regions, with the possible exception that nitrogen may be enhanced. Enrichment by a former evolved companion star is not evident. A long-slit echelle spectrogram in H-alpha + [N II] shows no evidence for high-velocity gas in N44C. This rules out high-velocity shocks as the source of the nebular He II emission. A 108 ks ROSAT HRI image of N44C shows no X-ray point source to a 3-sigma upper limit L(X) < 10^34 erg s^-1 in the 0.1-2.0 keV band. Based on new measurements of the electron density in the He II emitting region, we derive recombination timescales of approximately 20 yrs...

  1. Electron structure of excited configurations in Ca2V2O7 studied by electron-induced core-ionization loss spectroscopy, appearance-potential spectroscopy, and x-ray-photoelectron spectroscopy

    Science.gov (United States)

    Curelaru, I. M.; Strid, K.-G.; Suoninen, E.; Minni, E.; Rönnhult, T.

    1981-04-01

    We have measured the electron-induced core-ionization loss (CILS) spectra, the appearance-potential (APS) spectra, and the x-ray-photoelectron (XPS) spectra of Ca2V2O7, that is a prototype for a series of luminescent materials with general formula M2V2O7(M=Mg, Ca, Sr, Ba, Zn, Cd, Hg). From the analysis of the data provided by the edge spectroscopies (CILS and APS) and their comparison with the XPS binding energies, we deduced the electronic structure of the outer orbitals (occupied and empty) involved in these processes. Our data illustrate the strong many-body effects that occur in the excitation and decay of localized atomiclike configurations within the big ionic cluster V2O4-7. Excitation of core levels in calcium, outside the V2O4-7 ion, seems to involve more extended orbitals, since the screening is more efficient. Usefulness of complementary studies by x-ray emission and Auger electron spectroscopy is anticipated.

  2. Connecting the dots: a correlation between ionizing radiation and cloud mass-loss rate traced by optical integral field spectroscopy

    Science.gov (United States)

    McLeod, A. F.; Gritschneder, M.; Dale, J. E.; Ginsburg, A.; Klaassen, P. D.; Mottram, J. C.; Preibisch, T.; Ramsay, S.; Reiter, M.; Testi, L.

    2016-11-01

    We present an analysis of the effect of feedback from O- and B-type stars with data from the integral field spectrograph Multi Unit Spectroscopic Explorer (MUSE) mounted on the Very Large Telescope of pillar-like structures in the Carina Nebular Complex, one of the most massive star-forming regions in the Galaxy. For the observed pillars, we compute gas electron densities and temperatures maps, produce integrated line and velocity maps of the ionized gas, study the ionization fronts at the pillar tips, analyse the properties of the single regions, and detect two ionized jets originating from two distinct pillar tips. For each pillar tip, we determine the incident ionizing photon flux Q0, pil originating from the nearby massive O- and B-type stars and compute the mass-loss rate dot{M} of the pillar tips due to photoevaporation caused by the incident ionizing radiation. We combine the results of the Carina data set with archival MUSE data of a pillar in NGC 3603 and with previously published MUSE data of the Pillars of Creation in M16, and with a total of 10 analysed pillars, find tight correlations between the ionizing photon flux and the electron density, the electron density and the distance from the ionizing sources, and the ionizing photon flux and the mass-loss rate. The combined MUSE data sets of pillars in regions with different physical conditions and stellar content therefore yield an empirical quantification of the feedback effects of ionizing radiation. In agreement with models, we find that dot{M}∝ Q_0,pil^{1/2}.

  3. Investigation of formation and ageing of biogenic secondary aerosols by soft ionization aerosol mass spectrometry

    Science.gov (United States)

    Müller, Lars; Reinnig, Marc-Christopher; Vogel, Alexander; Mentel, Thomas; Tillmann, Ralf; Schlosser, E.; Wahner, Andreas; Donahue, Neil; Saathoff, Harald; Hoffmann, Thorsten

    2010-05-01

    The knowledge of the chemical composition of secondary organic aerosol is one essential key to understand the significance and fate of SOA in the atmosphere. However, the chemical evolution of SOA, from the very first condensing/nucleating molecules to the final oxidation products is still insufficiently understood and object of current research [1-3]. Consequently, the formation and photochemical ageing of secondary organic aerosol (SOA) was investigated in a series of reaction chamber experiments by applying on-line aerosol mass spectrometry (atmospheric pressure chemical ionization mass spectrometry (APCI/MS)) as well as off-line high performance liquid chromatography mass spectrometry (HPLC-MS). In a set of experiments, performed in the large outdoor reaction chamber SAPHIR (Jülich, Germany), SOA was generated from a boreal mixture of biogenic VOCs. During a two-day experiment the generated biogenic SOA was exposed to OH-radicals and the temporal evolution of the chemical composition was characterized. The applied on-line MS method not only provides highly time resolved chemical information (such as an AMS) but also allows molecular identification/quantification of specific marker compounds. Several first and higher generation BSOA products were identified. Among the higher generation products, especially a tricarboxylic acid (3-methyl-1,2,3-butanetricarboxylic acid) [2] was observed as an eye-catching oxidative processing marker. A more detailed investigation of hydroxyl radical induced SOA aging at the AIDA chamber facility in Karlsruhe, again using terpenes as SOA precursors, clearly showed that the formation of the tricarboxylic acid takes place in the gas phase by the reaction of semivolatile first generation products and hydroxyl radicals. Actually, there were no indications for OH induced oxidation of compounds in the condensed phase. The consequences of these results will be discussed in the contribution. 1. Rudich, Y., N.M. Donahue, and T.F. Mentel

  4. Investigating tunnel and above-barrier ionization using complex-scaled coupled-cluster theory

    Science.gov (United States)

    Jagau, Thomas-C.

    2016-11-01

    The theory and implementation of the complex-scaled coupled-cluster method with singles and doubles excitations (cs-CCSD) for studying resonances induced by static electric fields are presented. Within this framework, Stark shifts and ionization rates are obtained directly from the real and imaginary parts of the complex energy. The method is applied to the ground states of hydrogen, helium, lithium, beryllium, neon, argon, and carbon at varying field strengths. Complex-scaled Hartree-Fock, second-order many-body perturbation theory, and CCSD results are reported and analyzed with a focus on the impact of electron correlation on the ionization process. cs-CCSD calculations with suitably augmented standard Gaussian basis sets are found to deliver accurate strong-field ionization rates over a range of six orders of magnitude. The field-induced resonances are characterized beyond energy and ionization rate through their dipole moments, second moments, as well as Dyson orbitals and comparisons are drawn to autoionizing and autodetaching resonances. Marked differences are found between the tunneling and above-barrier regimes allowing for a clear distinction of the two mechanisms.

  5. Investigation of Singly Ionized Iodine Spectroscopy in Support of Electrostatic Propulsion Diagnostics Development

    Science.gov (United States)

    2012-07-02

    shifts in the spectral absorption of various plasma species. The fluorescence is moni- tored as a continuous-wave laser is tuned in frequency over...integral glass cooling bulb on the cold finger. This allows precise cooling of the discharge cold finger using a 50:50 water-glycol laboratory chiller ...Signal strength of absorption and LIF in the lamp may require further modification of our microwave dis- charge lamp. A Penning mixture of either neon or

  6. Characteristic MR spectroscopy in fucosidosis: in vitro investigation

    Energy Technology Data Exchange (ETDEWEB)

    Mamourian, Alex C.; Chawla, Sanjeev; Poptani, Harish [Hospital of the University of Pennsylvania, Department of Radiology, Philadelphia, PA (United States); Hopkin, Jeremy R. [Barrow Neurological Institute, Department of Neuroradiology, Phoenix, AZ (United States)

    2010-08-15

    Fucosidosis is a rare lysosomal storage disorder that results in the deposition of the sugar fucose within various organs, including the central nervous system. Neuroimaging abnormalities on MR, specifically T2 shortening in the basal ganglia, have been reported as suggestive of fucosidosis. A more recent report of MR spectroscopy (MRS) of one patient provided evidence that MRS is specific for fucosidosis. We present another confirmed case with nearly identical MR spectroscopic findings along with in vitro data that support the contention that MR spectroscopy, in the setting of typical clinical and imaging features, is characteristic for this rare disorder. (orig.)

  7. Development of selective photoionization spectroscopy technology - Development of a computer program to calculate selective ionization of atoms with multistep processes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young Soon; Nam, Baek Il [Myongji University, Seoul (Korea, Republic of)

    1995-08-01

    We have developed computer programs to calculate 2-and 3-step selective resonant multiphoton ionization of atoms. Autoionization resonances in the final continuum can be put into account via B-Spline basis set method. 8 refs., 5 figs. (author)

  8. Nuclear microprobe investigation of the effects of ionization and displacement damage in vertical, high voltage GaN diodes

    Science.gov (United States)

    Vizkelethy, G.; King, M. P.; Aktas, O.; Kizilyalli, I. C.; Kaplar, R. J.

    2017-08-01

    Radiation responses of high-voltage, vertical gallium-nitride (GaN) diodes were investigated using Sandia National Laboratories' nuclear microprobe. Effects of the ionization and the displacement damage were studied using various ion beams. We found that the devices show avalanche effect for heavy ions operated under bias well below the breakdown voltage. The displacement damage experiments showed a surprising effect for moderate damage: the charge collection efficiency demonstrated an increase instead of a decrease for higher bias voltages.

  9. Characterization of the ionization degree evolution of the PF-400J plasma sheath by means of time resolved optical spectroscopy

    Science.gov (United States)

    Avaria, G.; Cuadrado, O.; Moreno, J.; Pavez, C.; Soto, L.

    2016-05-01

    Spectral measurements in the visible range of the plasma sheath ionization degree evolution on the plasma focus device PF-400J are presented. The measurements were done with temporal and spatial resolution in a plasma focus device of low stored energy: PF-400J (176-539 J, 880 nF, 20-35 kV, quarter period ∼ 300ns) [1]. An ICCD was attached to a 0.5 m focal length visible spectrometer, which enabled the acquisition of time resolved spectrum with 20 ns integration time throughout the whole current pulse evolution. The spatial resolution was attained using a set of lenses which allowed the focusing of a small volume of the plasma sheath in different positions of the inter-electrode space. Discharges were carried out in mixtures of Hydrogen with gases in different proportions: 5% Neon, 5% Krypton and 2% Nitrogen. Discharges using Neon as an impurity showed no ionization of the gas, just a very low intensity emission of Ne I at times much larger than the maximum current. Nitrogen, on the other hand, showed a high ionization reaching N V (N 4+) at the end of the axial phase, with a distinctive evolution of the ionization degree as the plasma sheath moved towards the end of the electrodes. A mixed result was found when using Krypton, since the ionization degree only reached levels around Kr II/III, even though it has an ionization potential lower than Neon.

  10. Iron speciation in natural hyperacid water investigated by Mossbauer spectroscopy

    DEFF Research Database (Denmark)

    Koch, C. Bender; Rasmussen, Helge Kildahl; Mørup, Steen

    2009-01-01

    We have demonstrated the usefulness of the archetypical solid state-technique of Mössbauer spectroscopy to non-invasive studies of the redox and coordination chemistry of iron in a natural hyperacid solution from Iron Mountain, CA. Suitable fast cooling conditions were used to prepare a glass fro...

  11. Investigation of transfer ionization processes in the collision of partially stripped carbon ions on Argon

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The ratios of the cross section of the transfer-ionization to the single-electron-capture of Argon induced by Cq+ (q=1,2,3) ions are measured by means of position sensitive and time-of-flight techniques. Our experimental results are compared with the data of Heq+ (q=1,2)-Ar of DuBois. A qualitative interpretation is presented based on the Classical-Over-Barrier Model of Bohr.

  12. Investigation of transfer ionization processes in the collision of partially stripped carbon ions on Argon

    Institute of Scientific and Technical Information of China (English)

    WANG Jun; Du Juan; SUN GuangZhi; CHEN Lin; CHEN XiMeng; DING BaoWei; FU HongBin; CUI Ying; SHAO JianXiong; LU YanXia; GAO ZhiMin; LIU YuWen

    2008-01-01

    The ratios of the cross section of the transfer-ionization to the single-electroncapture of Argon induced by Cq+ (q=1,2,3) ions are measured by means of position sensitive and time-of-flight techniques. Our experimental results are compared with the data of Heq+ (q=1,2)-Ar of DuBois. A qualitative interpretation is presented based on the Classical-Over-Barrier Model of Bohr,

  13. Investigating the thermodynamics of UNCG tetraloops using infrared spectroscopy.

    Science.gov (United States)

    Stancik, Aaron L; Brauns, Eric B

    2013-10-31

    Using infrared (IR) absorption spectroscopy, we have explored the folding thermodynamics of the UNCG class of RNA hairpin tetraloops (N = U, A, C, or G). Without the need to introduce non-native probes, IR spectroscopy makes it possible to distinguish specific structural elements such as base pairing versus base stacking or loop versus stem motions. Our results show that different structural components exhibit different thermodynamics. Specifically, we have found that tetraloop melting proceeds in a thermally sequential fashion, where base pairing in the stem is disrupted before (i.e., at a lower temperature) base stacking along the entire chain. In addition, for N = A, our data argue that the structure immediately surrounding adenine is particularly stable and melts at a higher temperature than either base-pairing or base-stacking interactions. Taken together, these results suggest that hairpin loop formation is not a simple two-state process, even in the equilibrium limit.

  14. Near-IR integral field spectroscopy of ionizing stars and young stellar objects on the borders of HII regions

    CERN Document Server

    Martins, F; Deharveng, L; Zavagno, A; Bouret, J -C

    2009-01-01

    We present near-IR SINFONI observations of three Galactic HII regions: RVW79, RCW82 and RCW120. We identify the ionizing stars of each region: they are early to late O stars, close to the main sequence. We derive their stellar and wind properties using atmosphere models computed with the code CMFGEN. The cluster ionizing RCW~79 formed 2.3+/-0.5 Myr ago. Similar ages are estimated, albeit with a larger uncertainty, for the ionizing stars of the other two regions. In RCW79 the mechanical wind luminosity represents only 0.1% of the ionizing luminosity, questioning the influence of stellar winds on the dynamics of the the HII region. The young stellar objects show four main types of spectral features: H2 emission, Br gamma emission, CO bandheads emission and CO bandheads absorption. These features are typical of young stellar objects surrounded by disks and/or envelopes. The radial velocities of most YSOs are consistent with that of the ionized gas, firmly establishing that star formation is taking place on the b...

  15. GRIPS - Gamma-Ray Burst Investigation via Polarimetry and Spectroscopy

    CERN Document Server

    Greiner, J

    2008-01-01

    The primary scientific goal of the GRIPS mission is to revolutionize our understanding of the early universe using gamma-ray bursts. We propose a new generation gamma-ray observatory capable of unprecedented spectroscopy over a wide range of gamma-ray energies (200 keV--50 MeV) and of polarimetry (200--1000 keV). Secondary goals achievable by this mission include direct measurements of supernova interiors through gamma-rays from radioactive decays, nuclear astrophysics with massive stars and novae, and studies of particle acceleration near compact stars, interstellar shocks, and clusters of galaxies.

  16. Applications of Infrared and Raman Spectroscopies to Probiotic Investigation

    Directory of Open Access Journals (Sweden)

    Mauricio I. Santos

    2015-07-01

    Full Text Available In this review, we overview the most important contributions of vibrational spectroscopy based techniques in the study of probiotics and lactic acid bacteria. First, we briefly introduce the fundamentals of these techniques, together with the main multivariate analytical tools used for spectral interpretation. Then, four main groups of applications are reported: (a bacterial taxonomy (Subsection 4.1; (b bacterial preservation (Subsection 4.2; (c monitoring processes involving lactic acid bacteria and probiotics (Subsection 4.3; (d imaging-based applications (Subsection 4.4. A final conclusion, underlying the potentialities of these techniques, is presented.

  17. Applications of Infrared and Raman Spectroscopies to Probiotic Investigation

    Science.gov (United States)

    Santos, Mauricio I.; Gerbino, Esteban; Tymczyszyn, Elizabeth; Gomez-Zavaglia, Andrea

    2015-01-01

    In this review, we overview the most important contributions of vibrational spectroscopy based techniques in the study of probiotics and lactic acid bacteria. First, we briefly introduce the fundamentals of these techniques, together with the main multivariate analytical tools used for spectral interpretation. Then, four main groups of applications are reported: (a) bacterial taxonomy (Subsection 4.1); (b) bacterial preservation (Subsection 4.2); (c) monitoring processes involving lactic acid bacteria and probiotics (Subsection 4.3); (d) imaging-based applications (Subsection 4.4). A final conclusion, underlying the potentialities of these techniques, is presented. PMID:28231205

  18. Investigation of the influence of crystal quality on Borrmann spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kalaydzhyan, Aram

    2012-12-15

    The goal of thesis is to apply the dynamical theory of X-ray diffraction for perfect crystals to mosaic crystals, which are composed of slightly misoriented blocks. For this purpose statistical methods were used for the description of crystal defects. This concept was combined with the diffraction theory and implemented in code. This program was used for numerical simulations of diffraction processes in transmission geometry by plane barium titanate crystals. The computed dependencies on defects for Borrmann spectroscopy satisfy the initial expectations for medium orders of crystal defects qualitatively.

  19. Band gap and defect states of MgO thin films investigated using reflection electron energy loss spectroscopy

    Directory of Open Access Journals (Sweden)

    Sung Heo

    2015-07-01

    Full Text Available The band gap and defect states of MgO thin films were investigated by using reflection electron energy loss spectroscopy (REELS and high-energy resolution REELS (HR-REELS. HR-REELS with a primary electron energy of 0.3 keV revealed that the surface F center (FS energy was located at approximately 4.2 eV above the valence band maximum (VBM and the surface band gap width (EgS was approximately 6.3 eV. The bulk F center (FB energy was located approximately 4.9 eV above the VBM and the bulk band gap width was about 7.8 eV, when measured by REELS with 3 keV primary electrons. From a first-principles calculation, we confirmed that the 4.2 eV and 4.9 eV peaks were FS and FB, induced by oxygen vacancies. We also experimentally demonstrated that the HR-REELS peak height increases with increasing number of oxygen vacancies. Finally, we calculated the secondary electron emission yields (γ for various noble gases. He and Ne were not influenced by the defect states owing to their higher ionization energies, but Ar, Kr, and Xe exhibited a stronger dependence on the defect states owing to their small ionization energies.

  20. Band gap and defect states of MgO thin films investigated using reflection electron energy loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Heo, Sung [Analytical Engineering Group, Samsung Advanced Institute of Technology, 130, Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, S. Korea, 443-803 (Korea, Republic of); College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746, S. Korea (Korea, Republic of); Cho, Eunseog [CAE Group, Samsung Advanced Institute of Technology, 130, Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, S. Korea, 443-803 (Korea, Republic of); Lee, Hyung-Ik; Park, Gyeong Su [Analytical Engineering Group, Samsung Advanced Institute of Technology, 130, Samsung-ro, Yeongtong-gu, Suwon-si, Gyeonggi-do, S. Korea, 443-803 (Korea, Republic of); Kang, Hee Jae [Department of Physics, Chungbuk National University, Cheongju, S. Korea (Korea, Republic of); Nagatomi, T. [Analysis & Simulation Center, Asahi Kasei Corporation, 2-1 Samejima, Fuji, Shizuoka 416-8501 (Japan); Choi, Pyungho; Choi, Byoung-Deog, E-mail: bdchoi@skku.edu [College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746, S. Korea (Korea, Republic of)

    2015-07-15

    The band gap and defect states of MgO thin films were investigated by using reflection electron energy loss spectroscopy (REELS) and high-energy resolution REELS (HR-REELS). HR-REELS with a primary electron energy of 0.3 keV revealed that the surface F center (FS) energy was located at approximately 4.2 eV above the valence band maximum (VBM) and the surface band gap width (E{sub g}{sup S}) was approximately 6.3 eV. The bulk F center (F{sub B}) energy was located approximately 4.9 eV above the VBM and the bulk band gap width was about 7.8 eV, when measured by REELS with 3 keV primary electrons. From a first-principles calculation, we confirmed that the 4.2 eV and 4.9 eV peaks were F{sub S} and F{sub B}, induced by oxygen vacancies. We also experimentally demonstrated that the HR-REELS peak height increases with increasing number of oxygen vacancies. Finally, we calculated the secondary electron emission yields (γ) for various noble gases. He and Ne were not influenced by the defect states owing to their higher ionization energies, but Ar, Kr, and Xe exhibited a stronger dependence on the defect states owing to their small ionization energies.

  1. Macromolecular Dynamics in Red Blood Cells Investigated Using Neutron Spectroscopy

    CERN Document Server

    Stadler, Andreas Maximilian; Demmel, Franz; Artmann, Gerhard; 10.1098/rsif.2010.0306

    2011-01-01

    We present neutron scattering measurements on the dynamics of hemoglobin (Hb) in human red blood cells in vivo. Global and internal Hb dynamics were measured in the ps to ns time- and {\\AA} length-scale using quasielastic neutron backscattering spectroscopy. We observed the cross-over from global Hb short-time to long-time self-diffusion. Both short- and long-time diffusion coefficients agree quantitatively with predicted values from hydrodynamic theory of non-charged hard-sphere suspensions when a bound water fraction of around 0.23g H2O/ g Hb is taken into account. The higher amount of water in the cells facilitates internal protein fluctuations in the ps time-scale when compared to fully hydrated Hb powder. Slower internal dynamics of Hb in red blood cells in the ns time-range were found to be rather similar to results obtained with fully hydrated protein powders, solutions and E. coli cells.

  2. Understanding the two-dimensional ionization structure in luminous infrared galaxies. A near-IR integral field spectroscopy perspective

    CERN Document Server

    Colina, Luis; Arribas, Santiago; Riffel, Rogerio; Riffel, Rogemar A; Rodriguez-Ardila, Alberto; Pastoriza, Miriani; Storchi-Bergmann, Thaisa; Alonso-Herrero, Almudena; Sales, Dinalva

    2015-01-01

    We investigate the 2D excitation structure of the ISM in a sample of LIRGs and Seyferts using near-IR IFS. This study extends to the near-IR the well-known optical and mid-IR emission line diagnostics used to classify activity in galaxies. Based on the spatially resolved spectroscopy of prototypes, we identify in the [FeII]1.64/Br$\\gamma$ - H_2 1-0S(1)/Br$\\gamma$ plane regions dominated by the different heating sources, i.e. AGNs, young MS massive stars, and evolved stars i.e. supernovae. The ISM in LIRGs occupy a wide region in the near-IR diagnostic plane from -0.6 to +1.5 and from -1.2 to +0.8 (in log units) for the [FeII]/Br$\\gamma$ and H_2/Br$\\gamma$ line ratios, respectively. The corresponding median(mode) ratios are +0.18(0.16) and +0.02(-0.04). Seyferts show on average larger values by factors ~2.5 and ~1.4 for the [FeII]/Br$\\gamma$ and H_2/Br$\\gamma$ ratios, respectively. New areas and relations in the near-IR diagnostic plane are defined for the compact, high surface brightness regions dominated by ...

  3. Theoretical investigations of electron emission after water vapour ionization by light ion impact

    Energy Technology Data Exchange (ETDEWEB)

    Champion, C. [Laboratoire de Physique Moleculaire et des Collisions, ICPMB (FR2843), Institut de Physique, Universite Paul Verlaine-Metz, 1 Boulevard Arago, 57078 Metz Cedex 3 (France)], E-mail: champion@univ-metz.fr; Dal Cappello, C. [Laboratoire de Physique Moleculaire et des Collisions, ICPMB (FR2843), Institut de Physique, Universite Paul Verlaine-Metz, 1 Boulevard Arago, 57078 Metz Cedex 3 (France)

    2009-03-15

    An ab initio quantum-mechanical treatment is applied for treating the ionization process of water vapour by light ions. In this theoretical model, the initial state of the system is composed of a projectile and a water target described by a plane wave and an accurate one-centre molecular wave function, respectively, whereas the final state is constituted by a slow ejected electron and a scattered projectile represented by a Coulomb wave and a plane wave, respectively. The obtained results are compared to available experimental data in terms of doubly differential cross sections (DDCS), singly differential cross sections (SDCS) and total cross sections (TCS). A good agreement is generally found especially for the SDCS and the TCS.

  4. Investigation of thin ZnO layers in view of laser desorption-ionization

    Energy Technology Data Exchange (ETDEWEB)

    Grechnikov, A A; Borodkov, A S [Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, 19 Kosygin Str., 119991 Moscow (Russian Federation); Georgieva, V B [Georgi Nadjakov Institute of Solid State Physics, Bulgarian Academy of Sciences, 72 Tzarigradsko Chaussee, 1784 Sofia (Bulgaria); Alimpiev, S S; Nikiforov, S M; Simanovsky, Ya O [General Physics Institute, Russian Academy of Sciences, 38 Vavilov Str., 119991 Moscow (Russian Federation); Dimova-Malinovska, D; Angelov, O I, E-mail: lazarova@issp.bas.b [Laboratory for Solar Energy and New Energy Sources, Bulgarian Academy of Sciences, 72 Tzarigradsko Chaussee, 1784 Sofia (Bulgaria)

    2010-04-01

    Thin zinc oxide films (ZnO) were developed as a matrix-free platform for surface assisted laser desorption-ionization (SALDI) time-of-flight mass spectrometry. The ZnO films were deposited by RF magnetron sputtering of ZnO ceramic targets in Ar atmospheres on monocrystalline silicon. The generation under UV (355 nm) laser irradiation of positive ions of atenolol, reserpine and gramicidin S from the ZnO layers deposited was studied. All analytes tested were detected as protonated molecules with no or very structure-specific fragmentation. The mass spectra obtained showed low levels of chemical background noise. All ZnO films studied exhibited high stability and good reproducibility. The detection limits for test analytes are in the 10 femtomol range.

  5. Investigation of structure, dynamics and function of metalloproteins with electrospray ionization mass spectrometry.

    Science.gov (United States)

    Kaltashov, Igor A; Zhang, Mingxuan; Eyles, Stephen J; Abzalimov, Rinat R

    2006-10-01

    Electrospray ionization mass spectrometry (ESI MS) has emerged recently as a powerful tool for analyzing many structural and behavioral aspects of metalloproteins in great detail. In this review we discuss recent developments in the field, placing particular emphasis on the unique features of ESI MS that lend themselves to metalloprotein characterization at a variety of levels. Direct mass measurement enables the determination of protein-metal ion binding stoichiometry in solution and metalloprotein higher order structure in the case of multi-subunit proteins. MS techniques have been developed for determining the locations of metal-binding centers, metal oxidation states and reaction intermediates of metal-containing enzymes. Other ESI MS techniques are also discussed, such as protein ion charge state distributions and hydrogen/deuterium exchange studies, which can be used to measure metal binding affinities and to shed light on vital dynamic aspects of the functional properties of metalloproteins endowed by metal binding.

  6. [Investigation of fibrous cultural materials by infrared spectroscopy].

    Science.gov (United States)

    Luo, Xi-yun; Du, Yi-ping; Shen, Mei-hua; Zhang, Wen-qing; Zhou, Xin-guang; Fang, Shu-ying; Zhang, Xuan

    2015-01-01

    Cultural fibrous material includes both important categories, i. e. textile and paper, consisting of precious cultural materials in museum, such as costume, painting, and manuscript. In recent years more and more connoisseur and conservator's concerns are, through nondestructive method, the authenticity and the ageing identification of these cultural relics especially made from fragile materials. In this research, we used attenuated total reflection infrared spectroscopy to identify five traditional textile fibers, alongside cotton, linen, wool, mulberry silk and tussah silk, and another five paper fibers alongside straw, wheat straw, long qisong, Chinese alpine rush and mulberry bar, which are commonly used for making Chinese traditional xuan paper. The research result showed that the animal fiber (wool, mulberry silk and tussah silk) and plant fiber (cotton and linen) were easier to be distinguished by comparing the peaks at 3 280 cm-1 belonging to NH stretching vibration and a serious peaks related to amide I to amide III. In the spectrum of wool, the peak at 1 076 cm-1 was assigned to the S-O stretching vibration absorption of cystine in wool structure and can be used to tell wool from silk. The spectrum of mulberry silk and tussah silk seems somewhat difficult to be identified, as well as the spectrum of cotton and linen. Five rural paper fibers all have obvious characteristic peaks at 3 330, 2 900 cm-1 which are related to OH and CH stretching vibration. In the fingerprint wavenumber range of 1 600 - 800 cm, the similar peaks also appeared at 1 370, 1 320 cm-1 and 1 162, 1 050 cm-1, both group peaks respectively are related to CH and CO vibration in the structure of cellulose and hemicellulose in paper fibers. Although there is more similarity of the infrared spectroscopy of these 5 paper fibers, some tiny difference in absorbance also can be found at 3 300 cm-1 and in the fingerprint range at 1 332, 1 203, and 1 050 cm-1 which are related to C-O-C vibration

  7. Investigating molecule-semiconductor interfaces with nonlinear spectroscopies

    Science.gov (United States)

    Giokas, Paul George

    Knowledge of electronic structures and transport mechanisms at molecule-semiconductor interfaces is motivated by their ubiquity in photoelectrochemical cells. In this dissertation, optical spectroscopies are used uncover the influence of electronic coupling, coherent vibrational motion, and molecular geometry, and other factors on dynamics initiated by light absorption at such interfaces. These are explored for a family of ruthenium bipyridyl chromophores bound to titanium dioxide. Transient absorption measurements show molecular singlet state electron injection in 100 fs or less. Resonance Raman intensity analysis suggests the electronic excitations possess very little charge transfer character. The connections drawn in this work between molecular structure and photophysical behavior contribute to the general understanding of photoelectrochemical cells. Knowledge of binding geometry in nanocrystalline films is challenged by heterogeneity of semiconductor surfaces. Polarized resonance Raman spectroscopy is used to characterize the ruthenium chromophore family on single crystal titanium dioxide . Chromophores display a broad distribution of molecular geometries at the interface, with increased variation in binding angle due to the presence of a methylene bridge, as well as additional phosphonate anchors. This result implies multiple binding configurations for chromophores which incorporate multiple phosphonate ligands, and indicates the need for careful consideration when developing surface-assembled chromophore-catalyst cells. Electron transfer transitions occurring on the 100 fs time scale challenge conventional second-order approximations made when modeling these reactions. A fourth-order perturbative model which includes the relationship between coincident electron transfer and nuclear relaxation processes is presented. Insights provided by the model are illustrated for a two-level donor molecule. The presented fourth-order rate formula constitutes a rigorous

  8. Quantitative investigation of two metallohydrolases by X-ray absorption spectroscopy near-edge spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, W. [Hefei National Laboratory for Physical Sciences at Microscale and School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230027 (China); Chu, W.S.; Yang, F.F.; Yu, M.J.; Chen, D.L.; Guo, X.Y. [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Zhou, D.W.; Shi, N. [Hefei National Laboratory for Physical Sciences at Microscale and School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230027 (China); Marcelli, A. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, P.O. Box 13, Frascati 00044 (Italy); Niu, L.W.; Teng, M.K. [Hefei National Laboratory for Physical Sciences at Microscale and School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230027 (China); Gong, W.M. [Institute of Biophysics, Chinese Academy of Sciences, Beijing 100101 (China); Benfatto, M. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, P.O. Box 13, Frascati 00044 (Italy); Wu, Z.Y. [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, P.O. Box 13, Frascati 00044 (Italy)], E-mail: wuzy@ihep.ac.cn

    2007-09-21

    The last several years have witnessed a tremendous increase in biological applications using X-ray absorption spectroscopy (BioXAS), thanks to continuous advancements in synchrotron radiation (SR) sources and detector technology. However, XAS applications in many biological systems have been limited by the intrinsic limitations of the Extended X-ray Absorption Fine Structure (EXAFS) technique e.g., the lack of sensitivity to bond angles. As a consequence, the application of the X-ray absorption near-edge structure (XANES) spectroscopy changed this scenario that is now continuously changing with the introduction of the first quantitative XANES packages such as Minut XANES (MXAN). Here we present and discuss the XANES code MXAN, a novel XANES-fitting package that allows a quantitative analysis of experimental data applied to Zn K-edge spectra of two metalloproteins: Leptospira interrogans Peptide deformylase (LiPDF) and acutolysin-C, a representative of snake venom metalloproteinases (SVMPs) from Agkistrodon acutus venom. The analysis on these two metallohydrolases reveals that proteolytic activities are correlated to subtle conformation changes around the zinc ion. In particular, this quantitative study clarifies the occurrence of the LiPDF catalytic mechanism via a two-water-molecules model, whereas in the acutolysin-C we have observed a different proteolytic activity correlated to structural changes around the zinc ion induced by pH variations.

  9. Quantitative investigation of two metallohydrolases by X-ray absorption spectroscopy near-edge spectroscopy

    Science.gov (United States)

    Zhao, W.; Chu, W. S.; Yang, F. F.; Yu, M. J.; Chen, D. L.; Guo, X. Y.; Zhou, D. W.; Shi, N.; Marcelli, A.; Niu, L. W.; Teng, M. K.; Gong, W. M.; Benfatto, M.; Wu, Z. Y.

    2007-09-01

    The last several years have witnessed a tremendous increase in biological applications using X-ray absorption spectroscopy (BioXAS), thanks to continuous advancements in synchrotron radiation (SR) sources and detector technology. However, XAS applications in many biological systems have been limited by the intrinsic limitations of the Extended X-ray Absorption Fine Structure (EXAFS) technique e.g., the lack of sensitivity to bond angles. As a consequence, the application of the X-ray absorption near-edge structure (XANES) spectroscopy changed this scenario that is now continuously changing with the introduction of the first quantitative XANES packages such as Minut XANES (MXAN). Here we present and discuss the XANES code MXAN, a novel XANES-fitting package that allows a quantitative analysis of experimental data applied to Zn K-edge spectra of two metalloproteins: Leptospira interrogans Peptide deformylase ( LiPDF) and acutolysin-C, a representative of snake venom metalloproteinases (SVMPs) from Agkistrodon acutus venom. The analysis on these two metallohydrolases reveals that proteolytic activities are correlated to subtle conformation changes around the zinc ion. In particular, this quantitative study clarifies the occurrence of the LiPDF catalytic mechanism via a two-water-molecules model, whereas in the acutolysin-C we have observed a different proteolytic activity correlated to structural changes around the zinc ion induced by pH variations.

  10. FT-IR spectroscopy assessment of aesthetic dental materials irradiated with low-dose therapeutic ionizing radiation

    Science.gov (United States)

    Cruz, A. D.; Almeida, S. M.; Rastelli, A. N. S.; Bagnato, V. S.; Byscolo, F. N.

    2009-03-01

    The aim of the present study was to evaluate the effects of low-dose therapeutic ionizing radiation on different aesthetic dental materials. Forty five specimens ( n = 45) of three different aesthetic restorative materials were prepared and randomly divided into five groups: G1 (control group); G2, G3, G4, G5 experimental groups irradiated respectively with 0.25, 0.50, 0.75, and 1.00 Gy of gamma radiation by the 60Co teletherapy machine. Chemical analyses were performed using a FT-IR Nicolet 520 spectrophotometer with reflectance diffuse technique. Even a minimal exposition at ionizing radiation in therapeutic doses can provide chemical changes on light-cured composite resins. The three studied restorative materials showed changes after exposure at gamma radiation, however the increase of the radiation dose did not contribute to an increase in this effect.

  11. Investigating single molecule adhesion by atomic force spectroscopy.

    Science.gov (United States)

    Stetter, Frank W S; Kienle, Sandra; Krysiak, Stefanie; Hugel, Thorsten

    2015-02-27

    Atomic force spectroscopy is an ideal tool to study molecules at surfaces and interfaces. An experimental protocol to couple a large variety of single molecules covalently onto an AFM tip is presented. At the same time the AFM tip is passivated to prevent unspecific interactions between the tip and the substrate, which is a prerequisite to study single molecules attached to the AFM tip. Analyses to determine the adhesion force, the adhesion length, and the free energy of these molecules on solid surfaces and bio-interfaces are shortly presented and external references for further reading are provided. Example molecules are the poly(amino acid) polytyrosine, the graft polymer PI-g-PS and the phospholipid POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine). These molecules are desorbed from different surfaces like CH3-SAMs, hydrogen terminated diamond and supported lipid bilayers under various solvent conditions. Finally, the advantages of force spectroscopic single molecule experiments are discussed including means to decide if truly a single molecule has been studied in the experiment.

  12. Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal

    1968-01-01

    This booklet discusses spectroscopy, the study of absorption of radiation by matter, including X-ray, gamma-ray, microwave, mass spectroscopy, as well as others. Spectroscopy has produced more fundamental information to the study of the detailed structure of matter than any other tools.

  13. Investigation into photostability of soybean oils by thermal lens spectroscopy.

    Science.gov (United States)

    Savi, E L; Malacarne, L C; Baesso, M L; Pintro, P T M; Croge, C; Shen, J; Astrath, N G C

    2015-06-15

    Assessment of photochemical stability is essential for evaluating quality and the shelf life of vegetable oils, which are very important aspects of marketing and human health. Most of conventional methods used to investigate oxidative stability requires long time experimental procedures with high consumption of chemical inputs for the preparation or extraction of sample compounds. In this work we propose a time-resolved thermal lens method to analyze photostability of edible oils by quantitative measurement of photoreaction cross-section. An all-numerical routine is employed to solve a complex theoretical problem involving photochemical reaction, thermal lens effect, and mass diffusion during local laser excitation. The photostability of pure oil and oils with natural and synthetic antioxidants is investigated. The thermal lens results are compared with those obtained by conventional methods, and a complete set of physical properties of the samples is presented.

  14. Investigation into photostability of soybean oils by thermal lens spectroscopy

    Science.gov (United States)

    Savi, E. L.; Malacarne, L. C.; Baesso, M. L.; Pintro, P. T. M.; Croge, C.; Shen, J.; Astrath, N. G. C.

    2015-06-01

    Assessment of photochemical stability is essential for evaluating quality and the shelf life of vegetable oils, which are very important aspects of marketing and human health. Most of conventional methods used to investigate oxidative stability requires long time experimental procedures with high consumption of chemical inputs for the preparation or extraction of sample compounds. In this work we propose a time-resolved thermal lens method to analyze photostability of edible oils by quantitative measurement of photoreaction cross-section. An all-numerical routine is employed to solve a complex theoretical problem involving photochemical reaction, thermal lens effect, and mass diffusion during local laser excitation. The photostability of pure oil and oils with natural and synthetic antioxidants is investigated. The thermal lens results are compared with those obtained by conventional methods, and a complete set of physical properties of the samples is presented.

  15. Structural investigation of proapoptotic peptide by CD and NMR spectroscopy.

    Science.gov (United States)

    Pulsinelli, Emy; Vasile, Francesca; Vergani, Laura; Parodi, Silvio; Nicolini, Claudio

    2003-12-01

    We have performed a systematic investigation of the structural features of the peptides Int (a sequence able to cross cell membranes) and Int-H1(S6A,F8A) (which shows interesting antitumoral properties). After screening in aqueous solution at different ionic strength and pH values, we analyzed the structures of the peptides in different water/trifluoroethanol mixtures by Circular Dichroism and Nuclear Magnetic Resonance techniques.

  16. Spectroscopy

    CERN Document Server

    Walker, S

    1976-01-01

    The three volumes of Spectroscopy constitute the one comprehensive text available on the principles, practice and applications of spectroscopy. By giving full accounts of those spectroscopic techniques only recently introduced into student courses - such as Mössbauer spectroscopy and photoelectron spectroscopy - in addition to those techniques long recognised as being essential in chemistry teaching - sucha as e.s.r. and infrared spectroscopy - the book caters for the complete requirements of undergraduate students and at the same time provides a sound introduction to special topics for graduate students.

  17. Absorption Line Spectroscopy of Gravitationally-Lensed Galaxies: Further Evidence for an Increased Escape Fraction of Ionizing Photons at High Redshift

    CERN Document Server

    Leethochawalit, Nicha; Ellis, Richard S; Stark, Daniel P; Zitrin, Adi

    2016-01-01

    The fraction of ionizing photons that escape from high redshift star forming galaxies remains a key obstacle in evaluating whether galaxies were the primary agents of cosmic reionization. In our earlier work, we proposed using the covering fraction of low ionization gas, measured via deep absorption line spectroscopy, as a proxy. We present a significant update using this method, sampling seven gravitationally-lensed sources in the redshift range 4

  18. Detection of NO and NO(2) by (2 + 2) resonance-enhanced multiphoton ionization and photoacoustic spectroscopy near 454 nm.

    Science.gov (United States)

    Pastel, R L; Sausa, R C

    1996-07-20

    Trace concentrations of NO and NO(2) are detected with a dye laser operating near 454 nm. NO is detected by a (2 + 2) resonance-enhanced multiphoton ionization process by means of NO A(2)Σ+-X(2)Π(0, 0) transitions with miniature electrodes, and NO(2) is detected by a one-photon absorption photoacoustic process by means of NO(2)A¯' (2)B(1)(0, 8, 0)- X¯ (2)A(1)(0, 0, 0) transitions with a miniature microphone. Rotationally resolved excitation spectra show that the spectral resolution is sufficiently high to identify these species at 1 atm. The technique's analytical merits are evaluated as functions of concentration, pressure, and laser intensities. Low laser intensities favor NO(2) photoacoustic detection whereas high laser intensities favor NO ionization. Limits of detection (signal-to-noise ratio 3) of 160 parts in 10(9) for NO and 400 parts in 10(9) for NO(2) are determined at 1 atm for a 10-s integration time. Signal response and noise analyses show that three decades of NO/NO(2) mixtures can be measured with a computational relative error in concentration that is three times the relative error in measuring the NO and NO(2) signals.

  19. Chemotaxonomic Raman Spectroscopy Investigation of Ascomycetes and Zygomycetes

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Cheol Min [Hanyang Univ., Seoul (Korea, Republic of); Cho, Eunmin; Yang, Sung Ik [Kyung Hee Univ., Yongin (Korea, Republic of); Ochir, Erdeneganbold; Dembereldorj, Uuriintuya [Soongsil Univ., Seoul (Korea, Republic of)

    2013-04-15

    Enormous diversity exists in fungi, which cause epidemic diseases and infections by producing mycotoxins. Conventional fungal identification methods involve elaborate observations and time-consuming measurements of macroscopic and microscopic morphologies. The drawbacks with these methods include the need for an experienced investigator and the length of time taken to process the data. More recently, bioinformatic methods based on sequencing parts of the genome have been used to analyze fungi or fungal extracts by introducing chemotaxonomical markers. It is necessary to introduce a novel monitoring method that can accurately and efficiently identify fungal species. Spectroscopic analysis, which requires little sample preparation procedures, would meet the purpose of rapid analysis or identification of fungi.

  20. Investigation of zinc stannate synthesis using photoacoustic spectroscopy

    Directory of Open Access Journals (Sweden)

    Ivetić T.

    2007-01-01

    Full Text Available Mixtures of ZnO and SnO2 powders, with molar ratio of 2:1, were mechanically activated for 40, 80 and 160 minutes in a planetary ball mill. The resulting powders were compacted into pellets and non-isothermally sintered up to 1200°C with a heating rate of 5°C/min. X-ray diffraction analysis of obtained powders and sintered samples was performed in order to investigate changes of the phase composition. The microstructure of sintered samples was examined by scanning electron microscopy. The photoacoustic phase and amplitude spectra of sintered samples were measured as a function of the laser beam modulating frequency using a transmission detection configuration. Fitting of experimental data enabled determination of photoacoustic properties including thermal diffusivity. Based on the results obtained a correlation between thermal diffusivity and experimental conditions as well the samples microstructure characteristics was discussed. .

  1. Far-IR spectroscopy of the galactic center: Neutral and ionized gas in the central 10 pc of the galaxy

    Science.gov (United States)

    Hollenbach, D. J.; Watson, D. M.; Townes, C. H.; Dinerstein, H. L.; Hollenbach, D.; Lester, D. F.; Werner, M.; Storey, J. W. V.

    1983-01-01

    The 3P1 - 3P2 fine structure line emission from neutral atomic oxygen at 63 microns in the vicinity of the galactic center was mapped. The emission is extended over more than 4' (12 pc) along the galactic plane, centered on the position of Sgr A West. The line center velocities show that the O I gas is rotating around the galactic center with an axis close to that of the general galactic rotation, but there appear also to be noncircular motions. The rotational velocity at R is approximately 1 pc corresponds to a mass within the central pc of about 3 x 10(6) solar mass. Between 1 and 6 pc from the center the mass is approximately proportional to radius. The (O I) line probability arises in a predominantly neutral, atomic region immediately outside of the ionized central parsec of out galaxy. Hydrogen densities in the (O I) emitting region are 10(3) to 10(6) cm(-3) and gas temperatures are or = 100 K. The total integrated luminosity radiated in the line is about 10(5) solar luminosity, and is a substantial contribution to the cooling of the gas. Photoelectric heating or heating by ultraviolet excitation of H2 at high densities (10(5) cm(-3)) are promising mechanisms for heating of the gas, but heating due to dissipation of noncircular motions of the gas may be an alternative possibility. The 3P1 - 3P0 fine structure line of (O III) at 88 microns toward Sgr A West was also detected. The (O III) emission comes from high density ionized gas (n 10(4) cm(-3)), and there is no evidence for a medium density region (n 10(3) cm(-3)), such as the ionized halo in Sgr A West deduced from radio observations. This radio halo may be nonthermal, or may consist of many compact, dense clumps of filaments on the inner edges of neutral condensations at R or = 2 pc.

  2. Investigations of GMAW plasma by optical emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zielinska, S [Instytut Fizyki im. Mariana Smoluchowskiego, Uniwersytet Jagiellonski, ulica Reymonta 4, 30-059 Krakow (Poland); Musiol, K [Instytut Fizyki im. Mariana Smoluchowskiego, Uniwersytet Jagiellonski, ulica Reymonta 4, 30-059 Krakow (Poland); Dzierzega, K [Instytut Fizyki im. Mariana Smoluchowskiego, Uniwersytet Jagiellonski, ulica Reymonta 4, 30-059 Krakow (Poland); Pellerin, S [LASEP, Faculte des Sciences-Bourges, Universite d' Orleans, BP 4043, 18028 Bourges Cedex (France); Valensi, F [LASEP, Faculte des Sciences-Bourges, Universite d' Orleans, BP 4043, 18028 Bourges Cedex (France); Izarra, Ch de [LASEP, Faculte des Sciences-Bourges, Universite d' Orleans, BP 4043, 18028 Bourges Cedex (France); Briand, F [CTAS - Air Liquide Welding, Rue des Epluches, Saint Ouen l' Aumone (France)

    2007-11-15

    We report on investigations of gas metal arc welding plasma operated in pure argon and in a mixture of argon and CO{sub 2} at a dc current of 326 A. The spatially resolved electron densities and temperatures were directly obtained by measuring the Stark widths of the Ar I 695.5 nm and Fe I 538.3 nm spectral lines. Our experimental results show a reduction of the plasma conductivity and transfer from spray arc to globular arc operation with increasing CO{sub 2} concentration. Although the electron density n{sub e} increases while approaching the core of the plasma in the spray-arc mode, a drop in the electron temperature T{sub e} is observed. Moreover, the maximum T{sub e} that we measure is about 13 000 K. Our experimental results differ from the Haidar model where T{sub e} is always maximum on the arc axis and its values exceed 20 000 K. These discrepancies can be explained as a result of underestimation of the amount of metal vapours in the plasma core and of the assumption of local thermal equilibrium plasma in the model.

  3. High-energy photoemission spectroscopy for investigating bulk electronic structures of strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Sekiyama, Akira, E-mail: sekiyama@mp.es.osaka-u.ac.jp [Division of Materials Physics, Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531, Osaka (Japan); SPring-8/RIKEN, Sayo 679-5148, Hyogo (Japan)

    2016-04-15

    Progress of high-energy photoemission spectroscopy for investigating the bulk electronic structures of strongly correlated electron systems is reviewed. High-resolution soft X-ray photoemission has opened the door for revealing the bulk strongly correlated spectral functions overcoming the surface contributions. More bulk-sensitive hard X-ray photoemission spectroscopy (HAXPES) enables us to study the electronic structure with negligible surface contribution. The recent development of the polarization-dependent HAXPES is also described in this short review.

  4. Determination of Degree of Ionization of Poly(allylamine hydrochloride) (PAH) and Poly[1-[4-(3-carboxy‑4 hydroxyphenylazo)benzene sulfonamido]-1,2-ethanediyl, sodium salt] (PAZO) in Layer-by-Layer Films using Vacuum Photoabsorption Spectroscopy

    DEFF Research Database (Denmark)

    Ferreira, Q; Gomes, Paulo J.; Ribeiro, Paulo A.;

    2013-01-01

    Electrostatic and hydrophobic interactions govern most of the properties of supramolecular systems, which is the reason determining the degree of ionization of macromolecules has become crucial for many applications. In this paper, we show that high-resolution ultraviolet spectroscopy (VUV) can b...

  5. Gold nanoparticles bridging infra-red spectroscopy and laser desorption/ionization mass spectrometry for direct analysis of over-the-counter drug and botanical medicines.

    Science.gov (United States)

    Chau, Siu-Leung; Tang, Ho-Wai; Ng, Kwan-Ming

    2016-05-05

    With a coating of gold nanoparticles (AuNPs), over-the-counter (OTC) drugs and Chinese herbal medicine granules in KBr pellets could be analyzed by Fourier Transform Infra-red (FT-IR) spectroscopy and Surface-assisted Laser Desorption/Ionization mass spectrometry (SALDI-MS). FT-IR spectroscopy allows fast detection of major active ingredient (e.g., acetaminophen) in OTC drugs in KBr pellets. Upon coating a thin layer of AuNPs on the KBr pellet, minor active ingredients (e.g., noscapine and loratadine) in OTC drugs, which were not revealed by FT-IR, could be detected unambiguously using AuNPs-assisted LDI-MS. Moreover, phytochemical markers of Coptidis Rhizoma (i.e. berberine, palmatine and coptisine) could be quantified in the concentrated Chinese medicine (CCM) granules by the SALDI-MS using standard addition method. The quantitative results matched with those determined by high-performance liquid chromatography with ultraviolet detection. Being strongly absorbing in UV yet transparent to IR, AuNPs successfully bridged FT-IR and SALDI-MS for direct analysis of active ingredients in the same solid sample. FT-IR allowed the fast analysis of major active ingredient in drugs, while SALDI-MS allowed the detection of minor active ingredient in the presence of excipient, and also quantitation of phytochemicals in herbal granules. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Photoelectron spectroscopy investigations of pyrrolo[1,2-a][1,10]phenanthroline derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Prelipceanu, M.; Prelipceanu, O.S. [University of Applied Sciences Wildau, Department of Engineering, Institute of Photonics and Physics Technologies, Friedrich-Engels Street 63, 15745 Wildau (Germany); Leontie, L. [Faculty of Physics, ' Al.I. Cuza' University, 11 Carol I Boulevard, 700506 Iasi (Romania)], E-mail: lleontie@uaic.ro; Danac, R. [Faculty of Chemistry, ' Al.I. Cuza' University, 11 Carol I Boulevard, 700506 Iasi (Romania)

    2007-08-20

    Thin films of new pyrrolo[1,2-a][1,10]phenanthroline derivatives have been investigated by ultraviolet photoelectron spectroscopy, with a view of future applications in optoelectronic devices. The electronic band structure of investigated compounds (for electron energies {<=}25 eV) is to a great extent determined by substituent (R = NO{sub 2}, Cl) induced transformations of molecular orbitals.

  7. Stereochemical investigation of selegiline HCl with /sup 1/H and /sup 13/C NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Podanyi, B. (CHINOIN Gyogyszer- es Vegyeszeti Termekek Gyara, Budapest (Hungary))

    1982-12-01

    Selegiline HCl, the bioactive substance of the antiparkinsonic medicine, JUMEX was investigated by NMR spectroscopy. The dominant conformer was determined. Optically active shift-reagent was used for the determination of optical purity. The /sup 13/C spectrum was analyzed, and molecular dynamics was investigated at different temperatures.

  8. [An investigation of ionizing radiation dose in a manufacturing enterprise of ion-absorbing type rare earth ore].

    Science.gov (United States)

    Zhang, W F; Tang, S H; Tan, Q; Liu, Y M

    2016-08-20

    Objective: To investigate radioactive source term dose monitoring and estimation results in a manufacturing enterprise of ion-absorbing type rare earth ore and the possible ionizing radiation dose received by its workers. Methods: Ionizing radiation monitoring data of the posts in the control area and supervised area of workplace were collected, and the annual average effective dose directly estimated or estimated using formulas was evaluated and analyzed. Results: In the control area and supervised area of the workplace for this rare earth ore, α surface contamination activity had a maximum value of 0.35 Bq/cm(2) and a minimum value of 0.01 Bq/cm(2); β radioactive surface contamination activity had a maximum value of 18.8 Bq/cm(2) and a minimum value of 0.22 Bq/cm(2). In 14 monitoring points in the workplace, the maximum value of the annual average effective dose of occupational exposure was 1.641 mSv/a, which did not exceed the authorized limit for workers (5 mSv/a) , but exceeded the authorized limit for general personnel (0.25 mSv/a) . The radionuclide specific activity of ionic mixed rare earth oxides was determined to be 0.9. Conclusion: The annual average effective dose of occupational exposure in this enterprise does not exceed the authorized limit for workers, but it exceeds the authorized limit for general personnel. We should pay attention to the focus of the radiation process, especially for public works radiation.

  9. Investigating storm-enhanced density and polar tongue of ionization development during the 22 October 1999 great storm

    Science.gov (United States)

    Horvath, Ildiko; Lovell, Brian C.

    2015-02-01

    We investigate large-scale plasma density increases occurring during the 22 October 1999 great storm and focus on storm-enhanced density (SED) and polar tongue of ionization (TOI) development. Observations include two-hourly Global Ionosphere Map series coupled with multi-instrument in situ, space-based, and ground-based data plots, with Super Dual Auroral Radar Network two-cell convection maps and with model-generated neutral wind vector maps. Results demonstrate the equatorial electrojet events occurring in the Australian and American sectors, the high-density plasma features, and their underlying plasma transportation processes. During the main phase, a series of four prompt penetration electric field (PPEF) events occurred with subauroral polarization stream E field development forming a plasmaspheric drainage plume. These E field events caused the repeated development of equatorial ionization anomaly (EIA), SED bulge, and SED plume during the local dusk-midnight hours in those sectors that covered these local times. Showing a westward movement in accordance with their local time dependence, the EIA-SED structure developed first in the American sector, later on over the Pacific, and finally in the Australian sector. The SED plume plasma found its way into the polar cap through the dayside cusp region, created in the north some large polar cap enhancements reaching up to seven times of the quiet time levels, and evolved in each hemisphere into a polar TOI. We speculate that the enhanced growth of EIA, transporting high-density solar-produced plasma to the SED bulge via strong net eastward E field effects, and the mechanical effects of equatorward neutral winds contributed to the polar TOI's increasingly better development.

  10. Studies of Landé gJ-factors of singly ionized lanthanum by laser-induced fluorescence spectroscopy

    Science.gov (United States)

    Werbowy, S.; Güney, C.; Windholz, L.

    2016-08-01

    Laser-induced fluorescence spectroscopy, using a cooled hollow cathode discharge lamp as source of ions, was used to observe the Zeeman splitting of 18 lines of La II in the wavelength range 629.6-680.9 nm, in external intermediate magnetic fields up to 800 G. The recorded hyperfine-Zeeman patterns were analyzed in detail using already known accurate hyperfine structure A- and B-constants. From the recordings the Landé gJ-factors for some levels belonging to the 5d2, 5d6s, 5d6p, 4f5d, 4f6s and 4f6p configurations of La II were determined. The obtained experimental gJ-factors are compared with earlier measurements and theoretical calculations.

  11. Spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules.......This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules....

  12. Structural changes in a polyelectrolyte multilayer assembly investigated by reflection absorption infrared spectroscopy and sum frequency generation spectroscopy.

    Science.gov (United States)

    Kett, Peter J N; Casford, Michael T L; Yang, Amanda Y; Lane, Thomas J; Johal, Malkiat S; Davies, Paul B

    2009-02-12

    The structure of polyelectrolyte multilayer films adsorbed onto either a per-protonated or per-deuterated 11-mercaptoundecanoic acid (h-MUA/d-MUA) self assembled monolayer (SAM) on gold was investigated in air using two surface vibrational spectroscopy techniques, namely, reflection absorption infrared spectroscopy (RAIRS) and sum frequency generation (SFG) spectroscopy. Determination of film masses and dissipation values were made using a quartz crystal microbalance with dissipation monitoring (QCM-D). The films, containing alternating layers of the polyanion poly[1-[4-(3-carboxy-4-hydroxyphenylazo) benzenesulfonamido]-1,2-ethanediyl, sodium salt] (PAZO) and the polycation poly(ethylenimine) (PEI) built on the MUA SAM, were formed using the layer-by-layer electrostatic self-assembly method. The SFG spectrum of the SAM itself comprised strong methylene resonances, indicating the presence of gauche defects in the alkyl chains of the acid. The RAIRS spectrum of the SAM also contained strong methylene bands, indicating a degree of orientation of the methylene groups parallel to the surface normal. Changes in the SFG and RAIRS spectra when a PEI layer was adsorbed on the MUA monolayer showed that the expected electrostatic interaction between the polymer and the SAM, probably involving interpenetration of the PEI into the MUA monolayer, caused a straightening of the alkyl chains of the MUA and, consequently, a decrease in the number of gauche defects. When a layer of PAZO was subsequently deposited on the MUA/PEI film, further spectral changes occurred that can be explained by the formation of a complex PEI/PAZO interpenetrated layer. A per-deuterated MUA SAM was used to determine the relative contributions from the adsorbed polyelectrolytes and the MUA monolayer to the RAIRS and SFG spectra. Spectroscopic and adsorbed mass measurements combined showed that as further bilayers were constructed the interpenetration of PAZO into preadsorbed PEI layers was repeated, up to

  13. Calibration of impact ionization cosmic dust detectors: first tests to investigate how the dust density influences the signal

    Science.gov (United States)

    Jasmin Sterken, Veerle; Moragas-Klostermeyer, Georg; Hillier, Jon; Fielding, Lee; Lovett, Joseph; Armes, Steven; Fechler, Nina; Srama, Ralf; Bugiel, Sebastian; Hornung, Klaus

    2016-10-01

    Impact ionization experiments have been performed since more than 40 years for calibrating cosmic dust detectors. A linear Van de Graaff dust accelerator was used to accelerate the cosmic dust analogues of submicron to micron-size to speeds up to 80 km s^-1. Different materials have been used for calibration: iron, carbon, metal-coated minerals and most recently, minerals coated with conductive polymers. While different materials with different densities have been used for instrument calibration, a comparative analysis of dust impacts of equal material but different density is necessary: porous or aggregate-like particles are increasingly found to be present in the solar system: e.g. dust from comet 67P Churyumov-Gerasimenko [Fulle et al 2015], aggregate particles from the plumes of Enceladus [Gao et al 2016], and low-density interstellar dust [Westphal 2014 et al, Sterken et al 2015]. These recalibrations are relevant for measuring the size distributions of interplanetary and interstellar dust and thus mass budgets like the gas-to-dust mass ratio in the local interstellar cloud.We report about the calibrations that have been performed at the Heidelberg dust accelerator facility for investigating the influence of particle density on the impact ionization charge. We used the Cassini Cosmic Dust Analyzer for the target, and compared hollow versus compact silica particles in our study as a first attempt to investigate experimentally the influence of dust density on the signals obtained. Also, preliminary tests with carbon aerogel were performed, and (unsuccessful) attempts to accelerate silica aerogel. In this talk we explain the motivation of the study, the experiment set-up, the preparation of — and the materials used, the results and plans and recommendations for future tests.Fulle, M. et al 2015, The Astrophysical Journal Letters, Volume 802, Issue 1, article id. L12, 5 pp. (2015)Gao, P. et al 2016, Icarus, Volume 264, p. 227-238Westphal, A. et al 2014, Science

  14. High resolution pulsed field ionization photoelectron spectroscopy using multibunch synchrotron radiation: Time-of-flight selection scheme

    Energy Technology Data Exchange (ETDEWEB)

    Jarvis, G.K. [Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Song, Y.; Ng, C.Y. [Ames Laboratory, United States Department of Energy and Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States)

    1999-06-01

    We have developed an efficient electron time-of-flight (TOF) selection scheme for high resolution pulsed field ionization (PFI) photoelectron (PFI-PE) measurements using monochromatized multibunch undulator synchrotron radiation at the Advanced Light Source. By employing a simple electron TOF spectrometer, we show that PFI-PEs produced by the PFI in the dark gap of a synchrotron ring period can be cleanly separated from prompt background photoelectrons. A near complete suppression of prompt electrons was achieved in PFI-PE measurements by gating the PFI-PE TOF peak, as indicated by monitoring background electron counts at the Ar(11s{sup {prime}}) autoionizing Rydberg peak, which is adjacent to the Ar{sup +}({sup 2}P{sub 3/2}) PFI-PE band. The rotational-resolved PFI-PE band for H{sub 2}{sup +} (X {sup 2}{Sigma}{sub g}{sup +},v{sup +}=0) measured using this electron TOF selection scheme is nearly free from residues of nearby autoionizing features, which were observed in the previous measurement by employing an electron spectrometer equipped with a hemispherical energy analyzer. This comparison indicates that the TOF PFI-PE scheme is significantly more effective in suppressing the hot-electron background. In addition to attaining a high PFI-PE transmission, a major advantage of the electron TOF scheme is that it allows the use of a smaller pulsed electric field and thus results in a higher instrumental PFI-PE resolution. We have demonstrated instrumental resolutions of 1.0 cm{sup {minus}1} full width at half maximum (FWHM) and 1.9 cm{sup {minus}1} FWHM in the PFI-PE bands for Xe{sup +}({sup 2}P{sub 3/2}) and Ar{sup +}({sup 2}P{sub 3/2}) at 12.123 and 15.760 eV, respectively. These resolutions are more than a factor 2 better than those achieved in previous synchrotron based PFI-PE studies. {copyright} {ital 1999 American Institute of Physics.}

  15. 1064nm FT-Raman spectroscopy for investigations of plant cell walls and other biomass materials

    Science.gov (United States)

    Umesh P. Agarwal

    2014-01-01

    Raman spectroscopy with its various special techniques and methods has been applied to study plant biomass for about 30 years. Such investigations have been performed at both macro- and micro-levels. However, with the availability of the Near Infrared (NIR) (1064 nm) Fourier Transform (FT)-Raman instruments where, in most materials, successful fluorescence suppression...

  16. Sulfonated polyetherketone (SPEK-C) films investigated by positron annihilation lifetime spectroscopy and atomic force microscopy

    Institute of Scientific and Technical Information of China (English)

    Htwe Htwe Yin; YIN Ze-Jie; TANG Shi-Biao; HUANG Huan; ZHU Da-Ming

    2005-01-01

    The characterization of sulfonated polyetherketone (SPEK-C) films was investigated by using positron annihilation lifetime spectroscopy (PALS) and atomic force microscopy (AFM). It was found that free volume radius and intensity depend on the variation of sulfonation degree and solvent evaporation time of the films. Pore size and distribution determined from PALS and AFM measurements showed reasonable agreement.

  17. Moessbauer and EXAFS spectroscopy investigation of iron and arsenic adsorption to lettuce leaves

    Energy Technology Data Exchange (ETDEWEB)

    Vasconcelos, Igor F., E-mail: ifvasco@ufc.br [Universidade Federal do Ceara, Dep. Eng. Metalurgica e de Materiais (Brazil); Silva, Gabriela C.; Carvalho, Regina P.; Dantas, Maria Sylvia S.; Ciminelli, Virginia S. T. [Universidade Federal de Minas Gerais, Dep. Eng. Metalurgica e de Materiais (Brazil)

    2010-01-15

    The accumulation of iron and arsenic from aqueous solution by lettuce leaves biomass was investigated using Moessbauer and EXAFS spectroscopic techniques. Moessbauer spectroscopy results show that iron is oxidized during sorption while EXAFS results indicate that iron is coordinated by approximately 6 oxygen and 2 carbon atoms while arsenic is coordinated by approximately 4 oxygen atoms with iron as a second neighbor.

  18. Anisotropic crystal of the δ-BiB3O6 investigated by vibrational spectroscopy

    Science.gov (United States)

    Strikina, E. A.; Krylov, A. S.; Oreshonkov, A. S.; Vtyurin, A. N.; Maximova, A.

    2016-11-01

    The vibrational spectroscopy has been applied to investigate the structure the BiB3O6 (BIBO) crystal. Based on the experimental results, the total set of phonons mode of the polarized Raman spectra was proposed. To verify the obtained experimental data have been performed theoretical calculation in software package LADY.

  19. Investigation of aqueous alcohol and sugar solutions with reflection terahertz time-domain spectroscopy

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd; Møller, Uffe; Merbold, Hannes

    2007-01-01

    of the dielectric properties of especially liquids in environments where transmission measurements are difficult. We investigate the dielectric properties in the 0.1-1.0 THz frequency range of liquids using reflection terahertz time-domain spectroscopy. We apply the technique for the determination of alcohol......We give a detailed analysis of a general realization of reflection terahertz time-domain spectroscopy. The method is self-referenced and applicable at all incidence angles and for all polarizations of the incident terahertz radiation. Hence it is a general method for the determination...

  20. (17)O NMR and Raman Spectroscopies of Green Tea Infusion with Nanomaterial to Investigate Their Properties.

    Science.gov (United States)

    Zhou, Changyan; Zhang, Huiping; Yan, Ying; Zhang, Xinya

    2016-09-01

    (17)O NMR and Raman spectrograms of green tea infusions with nanomaterial were investigated. Different green tea infusions were prepared by steeping tea powder with different concentrations of nanomaterial aqueous solution. The tea infusions were tested with (17)O NMR and Raman spectroscopies. The (17)O NMR results showed that line width increased to 90 in the tea infusions after nanomaterial was added as a result of the effects of the self-association of Ca(2+) and tea polyphenol. The results of Raman spectroscopy showed that, in tea infusions, the enhancement of C─C and C─O stretching vibrations suggest an increase in the number of effective components in water.

  1. Using Moessbauer spectroscopy as key technique in the investigation of nanosized magnetic particles for drug delivery

    Energy Technology Data Exchange (ETDEWEB)

    Morais, P. C., E-mail: pcmor@unb.br [Universidade de Brasilia, Nucleo de Fisica Aplicada, Instituto de Fisica (Brazil)

    2008-01-15

    This paper describes how cobalt ferrite nanoparticles, suspended as ionic or biocompatible magnetic fluids, can be used as a platform to built complex nanosized magnetic materials, more specifically magnetic drug delivery systems. In particular, the paper is addressed to the discussion of the use of the Moessbauer spectroscopy as an extremely useful technique in supporting the investigation of key aspects related to the properties of the hosted magnetic nanosized particle. Example of the use of the Moessbauer spectroscopy in accessing information regarding the nanoparticle modification due to the empirical process which provides long term chemical stability is included in the paper.

  2. Absolute number densities of helium metastable atoms determined by atomic absorption spectroscopy in helium plasma-based discharges used as ambient desorption/ionization sources for mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Reininger, Charlotte; Woodfield, Kellie [Brigham Young University, Department of Chemistry and Biochemistry, Provo, UT 84602 (United States); Keelor, Joel D.; Kaylor, Adam; Fernández, Facundo M. [Georgia Institute of Technology, School of Chemistry and Biochemistry, Atlanta, GA 30332 (United States); Farnsworth, Paul B., E-mail: paul_farnsworth@byu.edu [Brigham Young University, Department of Chemistry and Biochemistry, Provo, UT 84602 (United States)

    2014-10-01

    The absolute number densities of helium atoms in the 2s {sup 3}S{sub 1} metastable state were determined in four plasma-based ambient desorption/ionization sources by atomic absorption spectroscopy. The plasmas included a high-frequency dielectric barrier discharge (HF-DBD), a low temperature plasma (LTP), and two atmospheric-pressure glow discharges, one with AC excitation and the other with DC excitation. Peak densities in the luminous plumes downstream from the discharge capillaries of the HF-DBD and the LTP were 1.39 × 10{sup 12} cm{sup −3} and 0.011 × 10{sup 12} cm{sup −3}, respectively. Neither glow discharge produced a visible afterglow, and no metastable atoms were detected downstream from the capillary exits. However, densities of 0.58 × 10{sup 12} cm{sup −3} and 0.97 × 10{sup 12} cm{sup −3} were measured in the interelectrode regions of the AC and DC glow discharges, respectively. Time-resolved measurements of metastable atom densities revealed significant random variations in the timing of pulsed absorption signals with respect to the voltage waveforms applied to the discharges. - Highlights: • We determine He metastable number densities for four plasma types • The highest number densities were observed in a dielectric barrier discharge • No helium metastable atoms were observed downstream from the exits of glow discharges.

  3. Formation of ultracold 7Li85Rb molecules in the lowest triplet electronic state by photoassociation and their detection by ionization spectroscopy

    Science.gov (United States)

    Altaf, Adeel; Dutta, Sourav; Lorenz, John; Pérez-Ríos, Jesús; Chen, Yong P.; Elliott, D. S.

    2015-03-01

    We report the formation of ultracold 7Li85Rb molecules in the a3Σ+ electronic state by photoassociation (PA) and their detection via resonantly enhanced multiphoton ionization (REMPI). With our dual-species Li and Rb magneto-optical trap apparatus, we detect PA resonances with binding energies up to ˜62 cm-1 below the 7Li 2s 2S1/2 + 85Rb 5p 2P1/2 asymptote. In addition, we use REMPI spectroscopy to probe the a3Σ+ state and excited electronic 33Π and 43Σ+ states and identify a3Σ+ (v″ = 7-13), 33Π (vΠ' = 0-10), and 43Σ+ (vΣ' = 0-5) vibrational levels. Our line assignments agree well with ab initio calculations. These preliminary spectroscopic studies on previously unobserved electronic states are crucial to discovering transition pathways for transferring ultracold LiRb molecules created via PA to deeply bound rovibrational levels of the electronic ground state.

  4. Gold-decorated titania nanotube arrays as dual-functional platform for surface-enhanced Raman spectroscopy and surface-assisted laser desorption/ionization mass spectrometry.

    Science.gov (United States)

    Nitta, Syuhei; Yamamoto, Atsushi; Kurita, Masahiro; Arakawa, Ryuichi; Kawasaki, Hideya

    2014-06-11

    In this report, we demonstrate gold-decorated titania nanotube arrays (Au-TNA substrate) as a dual-functional platform for surface-enhanced Raman spectroscopy (SERS) and surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS). The Au nanoparticles are grown on the substrate using vapor deposition of Au. The resulting substrates perform better than Au colloids in terms of the reproducibility of the SERS measurements, long-term stability of the fabricated structures, and clean surface of the Au. The nanostructure of the Au-TNA substrate was designed to optimize the SALDI-MS and SERS performance. Excellent reproducibility of the SERS measurements using the Au-TNA substrate was obtained, with a standard error less than 6 %. SALDI activity was also demonstrated for the same Au-TNA substrates. Finally, the Au-TNA substrate was used for combined SERS and SALDI-MS analysis (i) to discriminate the structural isomers of pyridine compounds (para-, meta-, and ortho-pyridinecarboxylic acid) and (ii) to detect polycarbamate, a dithiocarbamate fungicide. These results are difficult to obtain using either approach alone.

  5. Enhanced characterization of oil sands acid-extractable organics fractions using electrospray ionization-high-resolution mass spectrometry and synchronous fluorescence spectroscopy.

    Science.gov (United States)

    Bauer, Anthony E; Frank, Richard A; Headley, John V; Peru, Kerry M; Hewitt, L Mark; Dixon, D George

    2015-05-01

    The open pit oil sands mining operations north of Fort McMurray, Alberta, Canada, are accumulating tailings waste at a rate approximately equal to 4.9 million m(3) /d. Naphthenic acids are among the most toxic components within tailings to aquatic life, but structural components have largely remained unidentified. In the present study, electrospray ionization high-resolution mass spectrometry (ESI-HRMS) and synchronous fluorescence spectroscopy (SFS) were used to characterize fractions derived from the distillation of an acid-extractable organics (AEO) mixture isolated from oil sands process-affected water (OSPW). Mean molecular weights of each fraction, and their relative proportions to the whole AEO extract, were as follows: fraction 1: 237 Da, 8.3%; fraction 2: 240 Da, 23.8%; fraction 3: 257 Da, 26.7%; fraction 4: 308 Da, 18.9%; fraction 5: 355 Da, 10.0%. With increasing mean molecular weight of the AEO fractions, a concurrent increase occurred in the relative abundance of nitrogen-, sulfur-, and oxygen-containing ions, double-bond equivalents, and degree of aromaticity. Structures present in the higher-molecular-weight fractions (fraction 4 and fraction 5) suggested the presence of heteroatoms, dicarboxyl and dihydroxy groups, and organic acid compounds with the potential to function as estrogens. Because organic acid compositions become dominated by more recalcitrant, higher-molecular-weight acids during natural degradation, these findings are important in the context of oil sands tailings pond water remediation.

  6. Elemental and molecular analysis of metal containing biomolecules using laser induced breakdown spectroscopy and sonic spray ionization mass spectrometry: A step towards full integration and simultaneous analysis

    Science.gov (United States)

    Marmatakis, Konstantinos; Pergantis, Spiros A.; Anglos, Demetrios

    2016-12-01

    A novel methodology is proposed that combines sonic spray ionization (SSI) mass spectrometry (MS) with laser induced breakdown spectroscopy (LIBS) for analyzing metal-containing biomolecules and complexes. Focusing pulses from a nanosecond laser (Nd:YAG, λ = 1064 nm) in the microdroplet ensemble produced by a pneumatic nebulizer yielded LIBS spectra that enabled highly sensitive detection of several metal ions in aqueous and aqueous methanolic solutions. Based on the calibration curve method, LOD values at the ng/mL level were achieved for Ca (15 ng/mL), Ba (27 ng/mL), Cu (67 ng/mL) and Fe (650 ng/mL) with accuracy > 90%. LIBS measurements were performed for the first time on aerosols of solutions of known biomolecules such as superoxide dismutase and alpha-lactalbumin, which led to the reliable determination of the concentration of Cu and Ca, respectively, both in the range of a few μg/mL. In parallel, the relative molecular mass of the metalloproteins was determined by separate SSI-MS measurements performed using an identical pneumatic nebulizer based sample introduction system. This is a first step towards the ultimate aim of integrating the two analytical techniques by use of a single pneumatic nebulization system for simultaneous sample introduction for both LIBS and SSI-MS. Such a system is expected to greatly enhance our capabilities to simultaneously acquire molecular and atomic data.

  7. Absolute number densities of helium metastable atoms determined by atomic absorption spectroscopy in helium plasma-based discharges used as ambient desorption/ionization sources for mass spectrometry

    Science.gov (United States)

    Reininger, Charlotte; Woodfield, Kellie; Keelor, Joel D.; Kaylor, Adam; Fernández, Facundo M.; Farnsworth, Paul B.

    2014-10-01

    The absolute number densities of helium atoms in the 2s 3S1 metastable state were determined in four plasma-based ambient desorption/ionization sources by atomic absorption spectroscopy. The plasmas included a high-frequency dielectric barrier discharge (HF-DBD), a low temperature plasma (LTP), and two atmospheric-pressure glow discharges, one with AC excitation and the other with DC excitation. Peak densities in the luminous plumes downstream from the discharge capillaries of the HF-DBD and the LTP were 1.39 × 1012 cm- 3 and 0.011 × 1012 cm- 3, respectively. Neither glow discharge produced a visible afterglow, and no metastable atoms were detected downstream from the capillary exits. However, densities of 0.58 × 1012 cm- 3 and 0.97 × 1012 cm- 3 were measured in the interelectrode regions of the AC and DC glow discharges, respectively. Time-resolved measurements of metastable atom densities revealed significant random variations in the timing of pulsed absorption signals with respect to the voltage waveforms applied to the discharges.

  8. Investigation of uranium isotopic signatures in real-life particles from a nuclear facility by thermal ionization mass spectrometry.

    Science.gov (United States)

    Kraiem, Monia; Richter, Stephan; Kühn, Heinz; Stefaniak, Elzbieta A; Kerckhove, Giovani; Truyens, Jan; Aregbe, Yetunde

    2011-04-15

    An improved method was recently developed for the isotopic analysis of single-reference uranium oxide particles for nuclear safeguards. This method is a combination of analytical tools including in situ SEM micromanipulation, filament carburization and multiple ion counting (MIC) detection, which is found to improve sensitivity for thermal ionization mass spectrometry (TIMS) isotope ratio analysis. The question was raised whether this method could be applied for the detection of nuclear signatures in real-life particles with unknown isotopic composition. Therefore, environmental dust was collected in different locations within a nuclear facility. The screening of the samples to find the uranium particles of interest was performed using a scanning electron microscope (SEM) equipped with an energy-dispersive X-ray (EDX) detector. The comparison of the measurement results to reference data evaluated by international safeguards authorities was of key importance for data interpretation. For the majority of investigated particles, detection of uranium isotopic signatures provided information on current and past nuclear feed operations that compared well with facility declarations.

  9. Investigation of the phase separation of PNIPAM using infrared spectroscopy together with multivariate data analysis

    DEFF Research Database (Denmark)

    Munk, Tommy; Baldursdottir, Stefania G.; Hietala, S.

    2013-01-01

    to gain an oversight of small but systematic spectral differences anywhere within the spectra, providing further insight into structural changes and associated transformation mechanisms. In this study, the novel analytical approach of infrared spectroscopy combined with principal component analysis...... a complex re-organization of the hydrogen bonds and change of the hydration layer. The changes agreed with existing results from other techniques, and new insights were gained into the effect of controlled tacticity on phase transformation behaviour. The study demonstrates that infrared spectroscopy......The use of vibrational spectroscopy to investigate complex structural changes in polymers yields chemically rich data, but interpretation can be challenging and subtle but meaningful spectral changes may be missed through visual inspection alone. Multivariate analysis is an efficient approach...

  10. Investigation of Normalization Methods using Plasma Parameters for Laser Induced Breakdown Spectroscopy (LIBS) under simulated Martian Conditions

    OpenAIRE

    Vogt, David; Schröder, Susanne; Hübers, H.-W.

    2017-01-01

    Laser Induced Breakdown Spectroscopy data need to be normalized, especially in the field of planetary exploration We investigated plasma parameters as temperature and electron density for this purpose.

  11. Deep spectroscopy of the FUV-optical emission lines from a sample of radio galaxies at z~2.5: metallicity and ionization

    CERN Document Server

    Humphrey, A; Vernet, J; Fosbury, R; Alighieri, S di Serego; Binette, L

    2007-01-01

    We present long-slit NIR spectra, obtained using the ISAAC instrument at the Very Large Telescope, for nine radio galaxies at z~2.5. One-dimensional spectra have been extracted and cross calibrated with optical spectra from the literature to produce line spectra spanning a rest wavelength of ~1200-7000 A. We have also produced a composite of the rest-frame UV-optical line fluxes of powerful, z~2.5 radio galaxies. We have investigated the relative strengths of Ly-alpha, H-beta, H-alpha, HeII 1640 and HeII 4687, and we find that Av can vary significantly from object to object. In addition, we identify new line ratios to calculate electron temperature: [NeV] 1575/[NeV] 3426, [NeIV] 1602/[NeIV] 2423, OIII] 1663/[OIII] 5008 and [OII] 2471/[OII]3728. We model the emission line spectra and conclude they are best explained by AGN-photoionization with the ionization parameter U varying between objects. Single slab photoionization models are unable to reproduce the high- and the low-ionization lines simultaneously: thi...

  12. Threshold Ionization Spectroscopy of La(CH_{3}CN) and La(C_{4}H_{9}CN) Radicals Formed by la Reactions with Alkane Nitriles

    Science.gov (United States)

    Ullah, Ahamed; Kim, Jong Hyun; Cao, Wenjin; Yang, Dong-Sheng

    2017-06-01

    La atom reactions with acetonitrile (CH_{3}CN) and pentanenitrile (C_{4}H_{9}CN) are carried out in a laser-vaporization supersonic molecular beam source. Metal-containing species are observed using time-of-flight mass spectrometry. In this talk, we report the mass-analyzed threshold ionization (MATI) spectroscopic characterization of two metal-containing radicals, La(CH_{3}CN) and La(C_{4}H_{9}CN), formed by La associations with acetonitrile and pentanenitrile, respectively. Adiabatic ionization energies of the two La-alkane nitrile species and their vibrational frequencies are measured from the MATI spectra. Metal-ligand binding modes and molecular structures are investigated by comparing the spectroscopic measurements with density functional theory calculations and spectral simulations. For both alkane nitriles, the preferred La binding site is identified to be the nitrile group with a π-bind mode, the resultant metal complexes are three-membered metallacycles. While a single isomer is observed for La(CH_{3}CN), two rotational conformers are identified for La(C_{4}H_{9}CN). The binding and structures of these metal-alkane nitrile radicals are different from those formed by metal ion reactions, where metal ions were reported to favor σ binding with the nitrogen atom. K. Eller, W. Zummack, H. Schwarz, L. M. Roth, B. S. Freiser, J. Am. Chem. Soc., 1991, 113, 833-839

  13. Vibrational spectroscopy of the mass-selected tetrahydrofurfuryl alcohol monomers and its dimers in gas phase using IR depletion and VUV single photon ionization

    Science.gov (United States)

    Wang, Pengchao; Hu, Yongjun; Zhan, Huaqi; Chen, Jiaxin; Jin, Shan; Song, Wentao; Li, Yujian

    2017-10-01

    Tetrahydrofurfuryl alcohol (THFA, C5H10O2) is a close chemical analog of the sugar rings present in the phosphate-deoxyribose backbone structure of the nucleic acids. In present report, the infrared (IR) spectra of the size-selected THFA monomer and its dimer have been investigated in a pulsed supersonic jet using infrared-vacuum ultraviolet (VUV) ionization. Herein, the laser light at 118 nm wavelength served as the source of ;soft; ionization in a time-of-flight mass spectrometer. The IR features for the monomers located at 3622 cm- 1 can be assigned to the intramolecular hydrogen bonding stretch vibrations mainly referring to A and C conformers. Compared with the monomer, however, characteristic peaks for the dimer centered at 3415 and 3453 cm- 1, red shifted 207 and 169 cm- 1, respectively, were associated with the intermolecular hydrogen bonding stretch vibrations. Combined with the quantum-chemical calculations, the dimer in the gas phase preferred cyclic AC conformer stabled by forming two strong intermolecular hydrogen bonds, which shown the high hydrogen bond selectivity in the cluster. The conclusions drawn from the role played in the conformational flexibility by the hydroxyl and ether groups may be extended to other biomolecules.

  14. In vitro evaluation of ionizing radiation effects in bone tissue by FTIR spectroscopy and dynamic mechanical analysis; Avaliacao in vitro dos efeitos da radiacao ionizante em tecido osseo bovino por espectroscoia ATR-FTIR e analise dinamica-mecanica

    Energy Technology Data Exchange (ETDEWEB)

    Veloso, Marcelo Noronha

    2013-07-01

    Ionizing radiation from gamma radiation sources or X-ray generators is frequently used in Medical Science, such as radiodiagnostic exams, radiotherapy, and sterilization of haloenxerts. Ionizing radiation is capable of breaking polypeptidic chains and causing the release of free radicals by radiolysis.of water. It interacts also with organic material at the molecular level, and it may change its mechanical properties. In the specific case of bone tissue, studies report that ionizing radiation induces changes in collagen molecules and reduces the density of intermolecular crosslinks. The aim of this study was to verify the changes promoted by different doses of ionizing radiation in bone tissue using Fourier Transform Infrared Spectroscopy (FTIR) and dynamic mechanical analysis (DMA). Samples of bovine bone were irradiated using Cobalt-60 with five different doses: 0.01 kGy, 0.1 kGy, 1 kGy, 15 kGy and 75 kGy. To study the effects of ionizing irradiation on the chemical structure of the bone, the sub-bands of amide I, the crystallinity index and relation of organic and inorganic materials, were studied. The mechanical changes were evaluated using the elastic modulus and the damping value. To verify whether the chemical changes and the mechanical characteristics of the bone were correlated, the relation between the analysis made with spectroscopic data and the mechanical analysis data was studied. It was possible to evaluate the effects of different doses of ionizing radiation in bone tissue. With ATR-FTIR spectroscopy, it was possible to observe changes in the organic components and in the hydroxyapatite crystals organization. Changes were also observed in the elastic modulus and in the damping value. High correlation with statistical significance was observed among (amide III + collagen)/{sub v1,v3}, PO{sub 4}{sup 3-} and the delta tangent, and among 1/FHWM and the elastic modulus. (author)

  15. Investigation of organometallic reaction mechanisms with one and two dimensional vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Cahoon, James Francis [Univ. of California, Berkeley, CA (United States)

    2008-12-01

    One and two dimensional time-resolved vibrational spectroscopy has been used to investigate the elementary reactions of several prototypical organometallic complexes in room temperature solution. The electron transfer and ligand substitution reactions of photogenerated 17-electron organometallic radicals CpW(CO)3 and CpFe(CO)2 have been examined with one dimensional spectroscopy on the picosecond through microsecond time-scales, revealing the importance of caging effects and odd-electron intermediates in these reactions. Similarly, an investigation of the photophysics of the simple Fischer carbene complex Cr(CO)5[CMe(OMe)] showed that this class of molecule undergoes an unusual molecular rearrangement on the picosecond time-scale, briefly forming a metal-ketene complex. Although time-resolved spectroscopy has long been used for these types of photoinitiated reactions, the advent of two dimensional vibrational spectroscopy (2D-IR) opens the possibility to examine the ultrafast dynamics of molecules under thermal equilibrium conditions. Using this method, the picosecond fluxional rearrangements of the model metal carbonyl Fe(CO)5 have been examined, revealing the mechanism, time-scale, and transition state of the fluxional reaction. The success of this experiment demonstrates that 2D-IR is a powerful technique to examine the thermally-driven, ultrafast rearrangements of organometallic molecules in solution.

  16. Atmospheric pressure chemical ionization of explosives induced by soft X-radiation in ion mobility spectrometry: mass spectrometric investigation of the ionization reactions of drift gasses, dopants and alkyl nitrates.

    Science.gov (United States)

    Riebe, Daniel; Erler, Alexander; Ritschel, Thomas; Beitz, Toralf; Löhmannsröben, Hans-Gerd; Beil, Andreas; Blaschke, Michael; Ludwig, Thomas

    2016-08-01

    A promising replacement for the radioactive sources commonly encountered in ion mobility spectrometers is a miniaturized, energy-efficient photoionization source that produce the reactant ions via soft X-radiation (2.8 keV). In order to successfully apply the photoionization source, it is imperative to know the spectrum of reactant ions and the subsequent ionization reactions leading to the detection of analytes. To that end, an ionization chamber based on the photoionization source that reproduces the ionization processes in the ion mobility spectrometer and facilitates efficient transfer of the product ions into a mass spectrometer was developed. Photoionization of pure gasses and gas mixtures containing air, N2 , CO2 and N2 O and the dopant CH2 Cl2 is discussed. The main product ions of photoionization are identified and compared with the spectrum of reactant ions formed by radioactive and corona discharge sources on the basis of literature data. The results suggest that photoionization by soft X-radiation in the negative mode is more selective than the other sources. In air, adduct ions of O2(-) with H2 O and CO2 were exclusively detected. Traces of CO2 impact the formation of adduct ions of O2(-) and Cl(-) (upon addition of dopant) and are capable of suppressing them almost completely at high CO2 concentrations. Additionally, the ionization products of four alkyl nitrates (ethylene glycol dinitrate, nitroglycerin, erythritol tetranitrate and pentaerythritol tetranitrate) formed by atmospheric pressure chemical ionization induced by X-ray photoionization in different gasses (air, N2 and N2 O) and dopants (CH2 Cl2 , C2 H5 Br and CH3 I) are investigated. The experimental studies are complemented by density functional theory calculations of the most important adduct ions of the alkyl nitrates (M) used for their spectrometric identification. In addition to the adduct ions [M + NO3 ](-) and [M + Cl](-) , adduct ions such as [M + N2 O2 ](-) , [M

  17. Klimt artwork: material investigation by backscattering Fe-57 Mössbauer and Raman spectroscopy

    Science.gov (United States)

    Costa, B. F. O.; Blumers, M.; Sansano, A.; Klingelhöfer, G.; Rull, F.; Lehmann, R.; Renz, F.

    2014-04-01

    The long lost painting "Trumpeting Putto" was discovered and now is not only in the focus of art historian, but has also scientific interest too. We underwent this rare case of an inorganic layered artwork a non-destructive material investigation by employing Raman and MIMOSII Fe-57 Mössbauer spectroscopy. First results indicate several layers, where two layers of different pigments are on an inorganic background layer stabilised by a metallic wire within a wooden frame structure

  18. Yersinia enterocolitica in diagnostic fecal samples from European dogs and cats: identification by fourier transform infrared spectroscopy and matrix-assisted laser desorption ionization-time of flight mass spectrometry.

    Science.gov (United States)

    Stamm, Ivonne; Hailer, Mandy; Depner, Barbara; Kopp, Peter A; Rau, Jörg

    2013-03-01

    Yersinia enterocolitica is the main cause of yersiniosis in Europe, one of the five main bacterial gastrointestinal diseases of humans. Beside pigs, companion animals, especially dogs and cats, were repeatedly discussed in the past as a possible source of pathogenic Y. enterocolitica. To investigate the presence and types of Y. enterocolitica in companion animals, a total of 4,325 diagnostic fecal samples from dogs and 2,624 samples from cats were tested. The isolates obtained were differentiated by using matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF MS) and Fourier transform infrared spectroscopy (FT-IR). Isolated Y. enterocolitica strains were bioserotyped. The detection of the ail gene by PCR and confirmation by FT-IR were used as a pathogenicity marker. Y. enterocolitica strains were isolated from 198 (4.6%) of the dog and 8 (0.3%) of the cat fecal samples investigated. One hundred seventy-nine isolates from dogs were analyzed in detail. The virulence factor Ail was detected in 91.6% of isolates. Isolates of biotype 4 (54.7%) and, to a lesser extent, biotypes 2 (23.5%), 3 (11.2%), and 5 (2.2%) were detected. The remaining 8.4% of strains belonged to the ail-negative biotype 1A. All 7 isolates from cats that were investigated in detail were ail positive. These results indicate that companion animals could be a relevant reservoir for a broad range of presumptively human-pathogenic Y. enterocolitica types. MALDI-TOF MS and FT-IR proved to be valuable methods for the rapid identification of Y. enterocolitica, especially in regard to the large number of samples that were investigated in a short time frame.

  19. [Theoretical investigation of the saturation correction for ionization chambers irradiated with pulsed beams of arbitrary pulse length].

    Science.gov (United States)

    Karsch, Leonhard; Pawelke, Jörg

    2014-09-01

    In ionization chambers, not all released charge is collected due to the recombination of charge carriers. This effect is taken into account by the saturation correction factor kS. A physical description of the correction factor has been established for pulsed radiation. However, it is only accurate when the pulse length is short compared with the collection time of the ionization chamber. In this paper we develop a description of the saturation correction for radiation pulses of arbitrary length. For this, a system of partial differential equations is solved iteratively. The numerical solutions are verified experimentally for a Roos ionization chamber (PTW TM34001) exposed to a pulsed electron beam. The results of this iterative procedure describe the experimental data well. The calculations are also possible for beam structures which are experimentally hard to get and thereby contribute to a better understanding and correct description of the saturation correction at arbitrary pulse length. Among other things the pulse length dependent distributions of the charge carriers in the ionization chamber is calculated, inclusive of the transition to the conditions prevailing in the case of continuous irradiation. Furthermore is shown that the formula for kS established by Hochhäuser and Balk is applicable even at arbitrary pulse length, if pulse duration dependent effective values are used for the parameters a and p. These effective values have been determined for the Roos chamber at pulse lengths up to 300 μs.

  20. Substituent effects on the electron affinities and ionization energies of tria-, penta-, and heptafulvenes: a computational investigation

    DEFF Research Database (Denmark)

    Dahlstrand, Christian; Yamazaki, Kaoru; Kilså, Kristine

    2010-01-01

    The extent of substituent influence on the vertical electron affinities (EAs) and ionization energies (IEs) of 43 substituted tria-, penta-, and heptafulvenes was examined computationally at the OVGF/6-311G(d)//B3LYP/6-311G(d) level of theory and compared with those of tetracyanoquinodimethane (T...

  1. Investigating protein structure and folding with coherent two-dimensional infrared spectroscopy

    Science.gov (United States)

    Baiz, Carlos; Peng, Chunte; Reppert, Michael; Jones, Kevin; Tokmakoff, Andrei

    2012-02-01

    We present a new technique to quantitatively determine the secondary structure composition of proteins in solution based on ultrafast two-dimensional infrared (2DIR) spectroscopy. The percentage of residues in alpha-helix, beta-sheet, and unstructured conformations is extracted from a principal component analysis of the measured amide-I 2DIR spectra. We benchmark the method against a library of commercially-available proteins by comparing the predicted structure compositions with the x-ray crystal structures. The new technique offers sub-picosecond time resolution, and can be used to study systems that are difficult to study with conventional methods such as gels, intrinsically disordered peptides, fibers, and aggregates. We use the technique to investigate the structural changes and timescales associated with folding and denaturing of small proteins via equilibrium and transient temperature-jump 2DIR spectroscopy.

  2. An investigation of model forensic bone in soil environments studied using infrared spectroscopy.

    Science.gov (United States)

    Howes, Johanna M; Stuart, Barbara H; Thomas, Paul S; Raja, Sophil; O'Brien, Christopher

    2012-09-01

    Infrared spectroscopy has been used to examine changes to bone chemistry as a result of soil burial. Pig carcasses were buried as part of a controlled field study, and pig bone was used in soil environments established in the laboratory. The variables of species type, bone pretreatment, soil type and pH, moisture content, temperature, and burial time were investigated. The crystallinity index (CI) and the organic and carbonate contents of the bones were monitored. The data revealed decreasing trends in the organic and carbonate contents and an increase in the CI of the bone with burial time. An acidic soil environment and soil type are the factors that have the most influence on bone chemistry as a result of burial. The study demonstrates the potential of infrared spectroscopy as a straightforward method of monitoring the changes associated with aging of bones in a variety of soil environments.

  3. Spectroscopy Investigation on Conformational Transition of Tea Glycoconjugate from Green Tea

    Institute of Scientific and Technical Information of China (English)

    CHEN,Hai-Xia(陈海霞); ZHANG,Min(张民); XIE,Bi-Jun(谢笔钧)

    2004-01-01

    The conformational transition of a new glycoconjugate,tea glycoconjugate(TGC),was investigated by spectroscopy techniques including circular dichroism(CD)and ultraviolet(UV)spectroscopy.The solution behaviors of TGC inthe mediums of different temperature,pH value,and ions were compared.Results showed that the native conformation of TGC was partially ordered.The CD value and UV absorbance of TGC altered with the change of pH value,temperature,the addition of ions,and also accompanied order-disorder transition.Especially the conditions with temperature higher than the glasstransition temperature(Tg=62℃),higher pH value orlower pH value will have the most impact on the conformation of TGC,which will destroy the hydrogen bonds between the TGC molecules.The results indicated that the outside factors playimportant roles onthe stability of the conformation of TGC.

  4. Investigation of microplasma discharge in sea water for optical emission spectroscopy

    Science.gov (United States)

    Gamaleev, Vladislav; Okamura, Yo; Kitamura, Kensuke; Hashimoto, Yusuke; Oh, Jun-Seok; Furuta, Hiroshi; Hatta, Akimitsu

    2016-07-01

    Microplasma discharge in sea water for optical emission spectroscopy was investigated using a needle-to-plane electrode system. The electrodes of a Pd needle and a Pt plate were placed with a gap of 25 µm in typical artificial sea water or locally sampled natural deep sea water. A pulse current source, consisting of a MOSFET switch, a capacitor, an inductor and the resistance of the sea water between the electrodes, was used. The circuit parameters were optimized to decrease the breakdown voltage and the spark duration to suppress erosion of the electrodes. Using a microgap configuration, spark discharges were reproducibly ignited in the highly conductive sea water at low breakdown voltages. The ignition of spark discharges required not only a critical voltage sufficient for breakdown, but also a critical energy for preheating of the sea water, sufficient for bubble formation. The possibility of using optical emission spectroscopy of microplasma in water is shown for identifying elemental composition of sea water.

  5. Investigation on the overlapping bands of syndiotactic polystyrene by using 2D-IR spectroscopy

    Science.gov (United States)

    Jiang, Qianhong; Zhao, Ying; Zhang, Chunbo; Yang, Jian; Wang, Dujin

    2016-11-01

    In this work, WAXD and FTIR spectroscopy were utilized to investigate the phase transition of syndiotactic polystyrene (sPS) from amorphous phase to mesophase during the isothermal annealing process at 130 °C. Two dimensional (2D) correlation infrared spectroscopy was applied to reveal the sub-bands from the highly overlapping bands. The ∼900 cm-1 band is shown to be composed of two sub-bands. One band located around 906 cm-1 corresponds to the amorphous phase, another peak that occurs around 900 cm-1 is associated with mesophase. The trans-planar conformation band at 1223 cm-1 turns out to consist of two bands which might be related to trans-planar conformation with different sequence lengths.

  6. Communication: Investigation of the electron momentum density distribution of nanodiamonds by electron energy-loss spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Zhenbao; Yang, Bing; Lin, Yangming; Su, Dangsheng, E-mail: dssu@imr.ac.cn [Shenyang National Laboratory of Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Wenhua Road 72, Shenyang 110016 (China)

    2015-12-07

    The electron momentum distribution of detonation nanodiamonds (DND) was investigated by recording electron energy-loss spectra at large momentum transfer in the transmission electron microscope (TEM), which is known as electron Compton scattering from solid (ECOSS). Compton profile of diamond film obtained by ECOSS was found in good agreement with prior photon experimental measurement and theoretical calculation that for bulk diamond. Compared to the diamond film, the valence Compton profile of DND was found to be narrower, which indicates a more delocalization of the ground-state charge density for the latter. Combining with other TEM characterizations such as high-resolution transmission electron spectroscopy, diffraction, and energy dispersive X-ray spectroscopy measurements, ECOSS was shown to be a great potential technique to study ground-state electronic properties of nanomaterials.

  7. Investigation of the structure of alpha-lactalbumin protein nanotubes using optical spectroscopy.

    Science.gov (United States)

    Tarhan, Ozgür; Tarhan, Enver; Harsa, Sebnem

    2014-02-01

    Alpha-lactalbumin (α-la) is one of the major proteins in whey. When partially hydrolysed with Bacillus licheniformis protease, it produces nanotubular structures in the presence of calcium ions by a self-assembly process. This study presents investigation of α-la protein structure during hydrolysis and nanotube formation using optical spectroscopy. Before spectroscopic measurements, nanotubes were examined with microscopy. The observed α-la nanotubes (α-LaNTs) were in the form of regular hollow strands with a diameter of about 20 nm and the average length of 1 μm. Amide and backbone vibration bands of the Raman spectra displayed remarkable conformational changes in α and β domains in the protein structure during nanotube growth. This was confirmed by the Fourier-transform infrared (FTIR) spectroscopy data. Also, FTIR analysis revealed certain bands at calcium (Ca++) binding sites of COO- groups in hydrolysed protein. These sites might be critical in nanotube elongation.

  8. Resonance-enhanced multiphoton ionization time-of-flight mass spectrometry for detection of nitrogen containing aliphatic and aromatic compounds: resonance-enhanced multiphoton ionization spectroscopic investigation and on-line analytical application.

    Science.gov (United States)

    Streibel, T; Hafner, K; Mühlberger, F; Adam, T; Zimmermann, R

    2006-01-01

    Resonance-enhanced multiphoton ionization (REMPI) combined with time-of-flight mass spectrometry (TOFMS) is an analytical method capable of on-line monitoring of trace compounds in complex matrices. A necessary prerequisite for substance selective detection is spectroscopic investigation of the target molecules. Several organic nitrogen compounds comprising aliphatic and aromatic amines, nitrogen heterocyclic compounds, and aromatic nitriles are spectroscopically investigated with a tunable narrow bandwidth optical parametric oscillator (OPO) laser system providing a scannable wavelength range between 220 and 340 nm. These species are known as possible precursors in fuel-NO formation from combustion of solid fuels such as biomass and waste. A newly conceived double inlet system was used in this study, which allows rapid change between effusive and supersonic molecular beams. The resulting REMPI spectra of the compounds are discussed with respect to electronic transitions that could be utilized for a selective ionization of these compounds in complex mixtures such as combustion and process gases. The practicability of this approach is demonstrated by wavelength selected on-line REMPI-TOFMS detection of aniline and cyanonaphthalene in the burning chamber of a waste incineration plant. REMPI mass spectra recorded at different excitation wavelengths as well as variations in time show the utilization of species-selective REMPI-TOFMS detection for on-line monitoring of crucial substances in pollutant formation.

  9. Investigation of electron-loss and photon scattering correction factors for FAC-IR-300 ionization chamber

    Science.gov (United States)

    Mohammadi, S. M.; Tavakoli-Anbaran, H.; Zeinali, H. Z.

    2017-02-01

    The parallel-plate free-air ionization chamber termed FAC-IR-300 was designed at the Atomic Energy Organization of Iran, AEOI. This chamber is used for low and medium X-ray dosimetry on the primary standard level. In order to evaluate the air-kerma, some correction factors such as electron-loss correction factor (ke) and photon scattering correction factor (ksc) are needed. ke factor corrects the charge loss from the collecting volume and ksc factor corrects the scattering of photons into collecting volume. In this work ke and ksc were estimated by Monte Carlo simulation. These correction factors are calculated for mono-energy photon. As a result of the simulation data, the ke and ksc values for FAC-IR-300 ionization chamber are 1.0704 and 0.9982, respectively.

  10. Experimental and theoretical investigation of the triple differential cross section for electron impact ionization of pyrimidine molecules.

    Science.gov (United States)

    Builth-Williams, J D; Bellm, S M; Jones, D B; Chaluvadi, Hari; Madison, D H; Ning, C G; Lohmann, B; Brunger, M J

    2012-01-14

    Cross-section data for electron impact induced ionization of bio-molecules are important for modelling the deposition of energy within a biological medium and for gaining knowledge of electron driven processes at the molecular level. Triply differential cross sections have been measured for the electron impact ionization of the outer valence 7b(2) and 10a(1) orbitals of pyrimidine, using the (e, 2e) technique. The measurements have been performed with coplanar asymmetric kinematics, at an incident electron energy of 250 eV and ejected electron energy of 20 eV, for scattered electron angles of -5°, -10°, and -15°. The ejected electron angular range encompasses both the binary and recoil peaks in the triple differential cross section. Corresponding theoretical calculations have been performed using the molecular 3-body distorted wave model and are in reasonably good agreement with the present experiment.

  11. Measurement of quantum defects of nS and nD states using field ionization spectroscopy in ultracold cesium atoms

    Institute of Scientific and Technical Information of China (English)

    Zhang Lin-Jie; Feng Zhi-Gang; Li An-Ling; Zhao Jian-Ming; Li Chang-Yong; Jia Suo-Tang

    2009-01-01

    This paper reports that ultracold atoms are populated into different nS and nD Rydberg states (n=25~52) by two-photon excitation. The ionization spectrum of an ultracold Rydberg atom is acquired in a cesium magneto-optical trap by using the method of pulse field ionization. This denotes nS and nD states in the ionization spectrum and fits the data of energy levels of different Rydberg states to obtain quantum defects of nS and nD states.

  12. Variable Temperature Infrared Spectroscopy Investigations of Benzoic Acid Desorption from Sodium and Calcium Montmorillonite Clays.

    Science.gov (United States)

    Nickels, Tara M; Ingram, Audrey L; Maraoulaite, Dalia K; White, Robert L

    2015-12-01

    Processes involved in thermal desorption of benzoic acid from sodium and calcium montmorillonite clays are investigated by using variable temperature diffuse reflection Fourier transform infrared spectroscopy (DRIFTS). By monitoring the temperature dependence of infrared absorbance bands while heating samples, subtle changes in molecular vibrations are detected and employed to characterize specific benzoic acid adsorption sites. Abrupt changes in benzoic acid adsorption site properties occur for both clay samples at about 125 °C. Difference spectra absorbance band frequency variations indicate that adsorbed benzoic acid interacts with interlayer cations through water bridges and that these interactions can be disrupted by the presence of organic anions, in particular, benzoate.

  13. CHARACTERISTICS OF NEW CATHODE MATERIAL FOR LTSOFC INVESTIGATED BY IMPEDANCE SPECTROSCOPY

    Institute of Scientific and Technical Information of China (English)

    彭冉冉; 杨立寨; 毛宗强; 谢晓峰

    2004-01-01

    The characteristics of a new Li-NiO cathode were investigated. The crystal structure of Li-NiO was explored by XRD. Electrochemical behaviors of Li-NiO composite cathode were revealed by impedance spectroscopy from 400℃ to 650℃. The diameter of deformed arc increased with the decrease of temperature. Above the melting point of the eutectic salt in composite electrolyte, the Li-NiO curves are similar with two deformed semicircular arcs at high frequency which partially overlaps each other and corresponds...

  14. Investigation of hydrogen atom addition to vinyl monomers by time resolved ESR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Beckert, D.; Mehler, K.

    1983-07-01

    By means of time resolved ESR spectroscopy in the microsecond time scale the H atom addition to different vinyl monomers was investigated. The H atoms produced by pulse radiolysis of aqueous solutions show a strong recombination CIDEP effect which also allows the recombination rate constant of H atoms to be determined. By analysis of ESR time profiles with the modified Bloch equations the relaxation times T/sub 1/, T/sub 2/, the polarization factors and the chemical rate constants with scavengers were obtained. Besides the H atom addition rate constants to different vinyl monomers the structure of the monomer radical was determined for acrylic acid.

  15. Edge chlorination of hexa-peri-hexabenzocoronene investigated by density functional theory and vibrational spectroscopy.

    Science.gov (United States)

    Maghsoumi, Ali; Narita, Akimitsu; Dong, Renhao; Feng, Xinliang; Castiglioni, Chiara; Müllen, Klaus; Tommasini, Matteo

    2016-04-28

    We investigate the molecular structure and vibrational properties of perchlorinated hexa-peri-hexabenzocoronene (HBC-Cl) by density functional theory (DFT) calculations and IR and Raman spectroscopy, in comparison to the parent HBC. The theoretical and experimental IR and Raman spectra demonstrated very good agreement, elucidating a number of vibrational modes corresponding to the observed peaks. Compared with the parent HBC, the edge chlorination significantly alters the planarity of the molecule. Nevertheless, the results indicated that such structural distortion does not significantly impair the π-conjugation of such polycyclic aromatic hydrocarbons.

  16. Energy landscape investigation by wavelet transform analysis of atomic force spectroscopy data in a biorecognition experiment.

    Science.gov (United States)

    Bizzarri, Anna Rita

    2016-01-01

    Force fluctuations recorded in an atomic force spectroscopy experiment, during the approach of a tip functionalized with biotin towards a substrate charged with avidin, have been analyzed by a wavelet transform. The observation of strong transient changes only when a specific biorecognition process between the partners takes place suggests a drastic modulation of the force fluctuations when biomolecules recognize each other. Such an analysis allows to investigate the peculiar features of a biorecognition process. These results are discussed in connection with the possible role of energy minima explored by biomolecules during the biorecognition process.

  17. Solid-phase enolate chemistry investigated using HR-MAS NMR spectroscopy.

    Science.gov (United States)

    Fruchart, Jean-Sébastien; Lippens, Guy; Kuhn, Cyrille; Gras-Masse, Hélène; Melnyk, Oleg

    2002-01-25

    Supported P4-t-Bu enolate chemistry of phenylacetyloxymethyl polystyrene (PS) resin was investigated using high-resolution magic angle spinning (HR-MAS) NMR spectroscopy. Direct analysis of the crude reaction suspensions through the use of a diffusion filter (DF) allowed a rapid selection of the optimal experimental conditions, but also the characterization of the enolate on the solid phase. Comparison with solution experiments and literature data allowed us to address partially the structure of the enolate. HR-MAS NMR spectra of the enolate revealed also a tight interaction of P4-t-Bu base with the polymer matrix.

  18. Application of the Positron Annihilation Spectroscopy for Chromium Effect Investigation in Binary Fe-Cr Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Sojak, S.; Krsjak, V.; Slugen, V.; Stancek, S.; Petriska, M.; Vitazek, K.; Stacho, M. [Department of Nuclear Physics and Technology, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Ilkovicova 3, 812 19 Bratislava (Slovakia)

    2008-07-01

    Positron annihilation spectroscopy (PAS) is one of the non-destructive techniques applied with advantage for evaluation of the radiation treated materials microstructure. In this work, the PAS was used for study of different Fe-Cr alloys implanted by ions of helium. Investigation was focused on the chromium effect and the radiation defects resistance. In particular, the vacancy type defects (mono-vacancies, vacancy clusters) have been studied. The results show that the specific content of chromium has important influence on the size and distribution of induced defects. (authors)

  19. Investigation of the Interaction between Adenosine and Human Serum Albumin by Fluorescent Spectroscopy and Molecular Modeling

    Institute of Scientific and Technical Information of China (English)

    CUI Feng-Ling; WANG Jun-Li; LI Fang; FAN Jing; QU Gui-Rong; YAO Xiao-Jun; LEI Bei-Lei

    2008-01-01

    The binding interaction of adenosine with human serum albumin (HSA) was investigated under simulative physiological conditions by fluorescence spectroscopy in combination with a molecular modeling method. A strong fluorescence quenching reaction of adenosine to HSA was observed and the quenching mechanism was suggested as static quenching according to the Stern-Volmer equation. The binding constants (K) at different temperatures as well as thermodynamic parameters, enthalpy change (ΔH) and entropy change (ΔS), were calculated according to relevant fluorescent data and Vant'Hoff equation. The hydrophobic interaction was a predominant intermolecular force in order to stabilize the complex, which was in agreement with the results of molecular modeling study.

  20. Optical Emission Spectroscopy Investigation of a Surface Dielectric Barrier Discharge Plasma Aerodynamic Actuator

    Institute of Scientific and Technical Information of China (English)

    LI Ying-Hong; WU Yun; JIA Min; ZHOU Zhang-Wen; GUO Zhi-Gang; PU Yi-Kang

    2008-01-01

    The optical emission spectroscopy of a surface dielectric barrier discharge plasma aerodynamic actuator is investigated with different electrode configurations, applied voltages and driving frequencies. The rotational temperature of N2 (C3IIu) molecule is calculated according to its rotational emission band near 380.5 nm. The average electron energy of the discharge is evaluated by emission intensity ratio of first negative system to second positive system of N2. The rotational temperature is sensitive to the inner space of an electrode pair. The average electron energy shows insensitivity to the applied voltage, the driving frequency and the electrode configuration.

  1. Experimental and Theoretical Investigation of Valence Orbitals in 1,4-Dioxane by Electron momentum Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    YANG Tie-Cheng; NING Chuan-Gang; SU Guo-Lin; DENG Jing-Kang; ZHANG Shu-Feng; REN Xue-Guang; HUANG Yan-Ru

    2006-01-01

    @@ The binding energy spectrum of all valence orbitals and the momentum distributions of highest occupied molecular orbital (HOMO: 8ag), 7bu + 7ag, 4bu, 2bg + 4ag and 2au in 1, 4-dioxane are investigated by electron momentum spectroscopy (EMS) with 600 e V impact energy. The experimental results are consistent with theoretical calculations of C2h chair conformation using the Hartree-Fock method and density functional theory with 6-311++G**and A UG-CC-PVTZ basis sets.

  2. Thermoelastic investigation of a quartz tuning fork used in infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Spajer, M., E-mail: michel.spajer@univ-fcomte.fr; Cavallier, B.; Euphrasie, S.; Matten, G.; Vacheret, X.; Vairac, P.; Vernier, D. [Institut FEMTO-ST, Université de Franche-Comté, CNRS, ENSMM, UTBM, 32 avenue de l' Observatoire, F-25044 Besançon cedex (France); Jalocha, A. [CILAS, Département de Photonique, 8 avenue Buffon, BP 6319, F-45000 Orléans (France)

    2013-11-11

    The performances of quartz tuning forks (QTF) used in infrared spectroscopy for pollutant detection are investigated. The transduction between light and QTF vibration is elucidated, thanks to QTF encapsulation under vacuum. From the sensitivity enhancement which is obtained, we conclude that their interaction is photo-thermoelastic rather than photo-thermoacoustic. A mapping of the local sensitivity of the QTF is obtained by scanning its faces with the excitation probe beam. The comparison between the signal mapping and the theoretical strain mapping indicates that the most efficient areas of the QTF correspond to the areas where the strain or stress is the highest.

  3. Investigation of the degradation of LSM-YSZ SOFC cathode by electrochemical impedance spectroscopy

    DEFF Research Database (Denmark)

    Torres da Silva, Iris Maura

    conductivity would not be a problem during degradation experiments of the cells. The experiments carried out for this purpose include x-ray diffraction, conductivity and dilatometry. LSM-YSZ/YSZ/LSM-YSZ symmetrical cells were prepared and investigated by means ofelectrochemical impedance spectroscopy...... that at the applied operating conditions the impedance data could not be deconvoluted as anode and cathode processes were overlapping. Nonetheless it appeared that at OCV the degradation of the cathode is similar for symmetrical and single cells. Under current degradation was significantly lower, so real performance...

  4. Investigation of germanium implanted with aluminum by multi-laser micro-Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sanson, A., E-mail: andrea.sanson@unipd.it [Dipartimento di Fisica e Astronomia, Università di Padova, Via Marzolo 8, I-35131 Padova (Italy); Napolitani, E. [MATIS IMM-CNR at Dipartimento di Fisica e Astronomia, Università di Padova, Via Marzolo 8, I-35131 Padova (Italy); Impellizzeri, G. [MATIS IMM-CNR and Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia 64, I-95123 Catania (Italy); Giarola, M. [Dipartimento di Informatica, Università di Verona, Strada le Grazie 15, I-37134 Verona (Italy); De Salvador, D. [Dipartimento di Fisica e Astronomia, Università di Padova, Via Marzolo 8, I-35131 Padova (Italy); Privitera, V.; Priolo, F. [MATIS IMM-CNR and Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia 64, I-95123 Catania (Italy); Mariotto, G. [Dipartimento di Informatica, Università di Verona, Strada le Grazie 15, I-37134 Verona (Italy); Carnera, A. [Dipartimento di Fisica e Astronomia, Università di Padova, Via Marzolo 8, I-35131 Padova (Italy)

    2013-08-31

    Germanium samples, implanted with aluminum and annealed, have been investigated by micro-Raman spectroscopy using different excitation lines with the aim of gaining insights about the Al distribution at different depths beneath the sample surface and to correlate the Raman spectra with the electrical and chemical profiles, obtained by Spreading Resistance Profiling (SRP) and Secondary Ions Mass Spectrometry (SIMS) measurements, respectively. The intensity of the Al–Ge Raman peak at about 370 cm{sup −1}, due to the local vibrational mode of the substitutional Al atoms in the Ge matrix, has been directly related to the SRP behavior, while no correlation has been observed with SIMS profiles. These findings show that the electrically active content is entirely due to the substitutional Al atoms. Finally, a clear down shift is observed for the Ge–Ge Raman peak at ∼ 300 cm{sup −1}, which also seems to be directly related to the active content of Al dopant atoms. This work shows that micro-Raman spectroscopy can be a suitable tool for the study of doping profiles in Ge. - Highlights: ► Al-implanted Ge and annealed were studied by micro-Raman spectroscopy. ► Using different laser lines we have investigated the implants at different depths. ► The Al–Ge Raman peak at about 370 cm{sup −1} is directly related to the SRP behavior. ► The electrically active content is entirely due to the substitutional Al atoms. ► Carrier effects are observed on the Ge–Ge peak at ∼ 300 cm{sup −1}.

  5. The molecular interaction of a protein in highly concentrated solution investigated by Raman spectroscopy.

    Science.gov (United States)

    Ota, Chikashi; Noguchi, Shintaro; Tsumoto, Kouhei

    2015-04-01

    We used Raman spectroscopy to investigate the structure and interactions of lysozyme molecules in solution over a wide range of concentrations (2.5-300 mg ml(-1)). No changes in the amide-I band were observed as the concentration was increased, but the width of the Trp band at 1555 cm(-1) and the ratios of the intensities of the Tyr bands at 856 and 837 cm(-1), the Trp bands at 870 and 877 cm(-1), and the bands at 2940 (CH stretching) and 3420 cm(-1) (OH stretching) changed as the concentration was changed. These results reveal that although the distance between lysozyme molecules changed by more than an order of magnitude over the tested concentration range, the secondary structure of the protein did not change. The changes in the molecular interactions occurred in a stepwise process as the order of magnitude of the distance between molecules changed. These results suggest that Raman bands can be used as markers to investigate the behavior of high-concentration solutions of proteins and that the use of Raman spectroscopy will lead to progress in our understanding not only of the basic science of protein behavior under concentrated (i.e., crowded) conditions but also of practical processes involving proteins, such as in the field of biopharmaceuticals. © 2014 Wiley Periodicals, Inc.

  6. Investigation of the initial and volume recombination losses in gamma versatile cylindrical ionization chamber VGIC developed for gamma ray dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Fares, M.; Mameri, S.; Abdlani, I.; Negara, K. [COMENA, Laboratoire Detection et Mesures, CRNB, BP no. 180 Ain-Oussera 17200 W. de Djelfa (Algeria)

    2015-07-01

    A versatile Gamma ionization chambers are used for flow control in systems with gamma nuclear reactors and reprocessing plants in and monitoring atmosphere around these facilities, this in order to protect staff. In the Laboratory Detection and Measures (LDM) Division for Study and Development of Nuclear Instrumentation (DSDNI) of CRNB, we designed, developed and characterized a versatile gamma ionization chamber (VGIC) to study experimentally its characteristics according to the geometry of the electrodes, the volume and pressure of the filler gas for the design of a gamma sealed chamber. The tests were conducted under the IEC (International Electro-technical Commission). In this paper, we present the results obtained in the various nuclear tests for characterization and calibration that we have made on the ionization chamber gamma VGIC prototype developed at our Department. To do this, three irradiators were operated at the Laboratory Calibration (SSDL) of the Department of Medical Physics Nuclear Research Center of Algiers (CRNA). Irradiator intensive gamma ({sup 60}Co: 1.25 MeV), one medium intensity gamma ({sup 137}Cs: 0.662 MeV) and 3rd low intensity ({sup 60}Co). Saturation curves and linearity were identified and the operating range and the sensitivity of the chamber have been deducted. The (I,V) characteristics of the chamber filled, with argon gas at 3 bar (0.3 M pa) pressure, for gamma ray irradiator sources were studied. To do so, the chamber was irradiated with gamma rays using different numbers of gamma sources (i.e. Up to 5). The plateau region is reached above 200 V and the detector operating voltage is found to be 600 V. It is observed that in the plateau region the slope is constant with an increase in the exposure rate. The (1/I, 1/V) and (I, l/V{sup 2}) characteristic curves reveal the presence of the initial and volume recombination losses. The volume recombination losses are found to be smaller than the initial recombination losses. Finally

  7. Measurement of the ionization state and electron temperature of plasma during the ablation stage of a wire-array Z pinch using absorption spectroscopy.

    Science.gov (United States)

    Ivanov, V V; Hakel, P; Mancini, R C; Chittenden, J P; Anderson, A; Durmaz, T; Wiewior, P; Papp, D; Altemara, S D; Astanovitskiy, A L; Chalyy, O

    2011-06-03

    Wire-array plasmas were investigated in the nonradiative ablation stage via x-ray absorption spectroscopy. A laser-produced Sm plasma was used to backlight Al wire arrays. The Sm spectrum was simultaneously observed by two spectrometers: one recorded the unattenuated spectrum and the other the transmission spectrum with 1.45-1.55 keV K-shell absorption lines. Analysis of absorption spectra revealed electron temperature in the range of 10-30 eV and the presence of F-, O-, N- and C-like Al ions in the absorbing plasma. A comparison of this electron temperature with the postprocessed absorption spectra of a 2D MHD simulation yields results in general agreement with the data analysis.

  8. Electrochemical Impedance Spectroscopy Investigation of the Anodic Functionalities and Processes in LSCM-CGO-Ni Systems

    KAUST Repository

    Boulfrad, Samir

    2015-07-17

    Electrochemical impedance spectroscopy was used to characterize anode compositions made of (La0.75Sr0.25)0.97Cr0.5Mn0.5O3 (LSCM) and gadolinia doped ceria (CGO) with and without additional submicron Ni, or exsoluted Ni nanoparticles. In addition, the effects of the anode gas flow rate and the working temperature were investigated. Higher content of the ionic conductor leads to a decrease of the impedance in the frequency range from 100 Hz to 10 Hz. The effect of the catalyst component was investigated while keeping the electronic conductivity unchanged in the tested materials. Enhanced catalytic activity was demonstrated to considerably decrease the impedance especially in the frequency range between 100 Hz to 1 Hz. The change in the gas flow rate affects mainly the impedance bellow 1 Hz. © The Electrochemical Society.

  9. Negative pressure effects in SrTiO 3 nanoparticles investigated by Raman spectroscopy

    Science.gov (United States)

    Wu, XueWei; Wu, DaJian; Liu, XiaoJun

    2008-02-01

    The size effects on SrTiO 3 nanoparticles have been investigated by means of Raman spectroscopy with changing the grain size in the range 10-80 nm. The intensities of the first-order polar TO 2 and TO 4 modes increase as the grain size reduces, suggesting the enhanced interaction of the surface-defect dipoles on the grain boundary. By contrast, the intensities for the first-order nonpolar TO 3 mode decrease with reducing the grain size. Further we have found that the Raman frequencies of the vibration modes are very sensitive to the variation of the grain size. The softening of the TO 2 and TO 3 modes with decreasing the grain size indicates the increase of the Ti-O bond length, which is consistent with the lattice expansion investigated by XRD. We have ascribed the size effects to the negative pressure effects due to the enhanced interaction of the surface-defect dipoles.

  10. The stoichiometry of synthetic alunite as a function of hydrothermal aging investigated by solid-state NMR spectroscopy, powder X-ray diffraction and infrared spectroscopy

    DEFF Research Database (Denmark)

    Grube, Elisabeth; Nielsen, Ulla Gro

    2015-01-01

    The stoichiometry of a series of synthetic alunite (nominally KAl3(SO4)2(OH)6) samples prepared by hydrothermal methods as a function of reaction time (1 – 31 days) has been investigated by powder X-ray diffraction, Fourier transform infrared spectroscopy as well as solid-state 1H and 27Al magic...

  11. The stoichiometry of synthetic alunite as a function of hydrothermal aging investigated by solid-state NMR spectroscopy, powder X-ray diffraction and infrared spectroscopy

    DEFF Research Database (Denmark)

    Grube, Elisabeth; Nielsen, Ulla Gro

    2015-01-01

    The stoichiometry of a series of synthetic alunite (nominally KAl3(SO4)2(OH)6) samples prepared by hydrothermal methods as a function of reaction time (1 – 31 days) has been investigated by powder X-ray diffraction, Fourier transform infrared spectroscopy as well as solid-state 1H and 27Al magic...

  12. Heavy-ion-induced sucrose radicals investigated using EPR and UV spectroscopy.

    Science.gov (United States)

    Nakagawa, Kouichi; Karakirova, Yordanka; Yordanov, Nicola D

    2015-05-01

    The potential use of a sucrose dosimeter for estimating both linear energy transfer (LET) and the absorbed dose of heavy ion and X-ray radiation was investigated. The stable free radicals were produced when sucrose was irradiated with heavy ions, such as helium, carbon, silicon and neon ions, and when the X-ray radiation was similar to the obtained electron paramagnetic resonance (EPR) spectra, which were ∼7 mT wide and composed of several hyperfine structures. In addition, the total spin concentration resulting from heavy-ion irradiation increased linearly as the absorbed dose increased, and decreased logarithmically as the LET increased. These empirical relations imply that the LET at a certain dose can be determined from the spin concentration. For sucrose and alanine, both cross-sections following C-ion irradiation with a 50 Gy dose were ∼1.3 × 10(-12) [μm(2)], taking into account the molecular size of the samples. The values of these cross-sections imply that multiple ionizing particles were involved in the production of stable radicals. Furthermore, UV absorbance at 267 nm of an aqueous solution of irradiated sucrose was found to linearly increase with increasing absorbed dose. Therefore, the EPR and UV results suggest that sucrose can be a useful dosimeter for heavy-ion irradiation.

  13. Investigation of multiaxial molecular dynamics by 2H MAS NMR spectroscopy.

    Science.gov (United States)

    Kristensen, J H; Hoatson, G L; Vold, R L

    1998-11-01

    The technique of 2H MAS NMR spectroscopy is presented for the investigation of multiaxial molecular dynamics. To evaluate the effects of discrete random reorientation a Lie algebraic formalism based on the stochastic Liouville-von Neumann equation is developed. The solution to the stochastic Liouville-von Neumann equation is obtained both in the presence and absence of rf irradiation. This allows effects of molecular dynamics to be evaluated during rf pulses and extends the applicability of the formalism to arbitrary multiple pulse experiments. Theoretical methods are presented for the description of multiaxial dynamics with particular emphasis on the application of vector parameters to represent molecular rotations. Numerical time and powder integration algorithms are presented that are both efficient and easy to implement computationally. The applicability of 2H MAS NMR spectroscopy for investigating molecular dynamics is evaluated from theoretical spectra. To demonstrate the potential of the technique the dynamics of thiourea-2H4 is investigated experimentally. From a series of variable temperature MAS and quadrupole echo spectra it has been found that the dynamics can be described by composite rotation about the CS and CN bonds. Both experiments are sensitive to the fast CS rotation which is shown to be described by the Arrhenius parameters E(CS) = 46.4 +/- 2.3 kJ mol(-1) and ln(A(CS))= 32.6 +/- 0.9. The MAS experiment represents a significant improvement by simultaneously allowing the dynamics of the slow CN rotation to be fully characterized in terms of E(CN) = 56.3 +/- 3.4 kJ mol(-1) and ln(A(CN)) = 25.3 +/- 1.1.

  14. Real-time imaging, spectroscopy, and structural investigation of cathodic plasma electrolytic oxidation of molybdenum

    Energy Technology Data Exchange (ETDEWEB)

    Stojadinović, Stevan, E-mail: sstevan@ff.bg.ac.rs; Tadić, Nenad; Šišović, Nikola M.; Vasilić, Rastko [Faculty of Physics, University of Belgrade, Studentski trg 12-16, 11000 Belgrade (Serbia)

    2015-06-21

    In this paper, the results of the investigation of cathodic plasma electrolytic oxidation (CPEO) of molybdenum at 160 V in a mixed solution of borax, water, and ethylene glycol are presented. Real-time imaging and optical emission spectroscopy were used for the characterization of the CPEO. During the process, vapor envelope is formed around the cathode and strong electric field within the envelope caused the generation of plasma discharges. The spectral line shape analysis of hydrogen Balmer line H{sub β} (486.13 nm) shows that plasma discharges are characterized by the electron number density of about 1.4 × 10{sup 21 }m{sup −3}. The electron temperature of 15 000 K was estimated by measuring molybdenum atomic lines intensity. Surface morphology, chemical, and phase composition of coatings formed by CPEO were characterized by scanning electron microscopy with energy dispersive x-ray spectroscopy and x-ray diffraction. The elemental components of CPEO coatings are Mo and O and the predominant crystalline form is MoO{sub 3}.

  15. Electrochemical impedance spectroscopy investigation on the clinical lifetime of ProTaper rotary file system.

    Science.gov (United States)

    Penta, Virgil; Pirvu, Cristian; Demetrescu, Ioana

    2014-01-01

    The main objective of the current paper is to show that electrochemical impedance spectroscopy (EIS) could be a method for evaluating and predicting of ProTaper rotary file system clinical lifespan. This particular aspect of everyday use of the endodontic files is of great importance in each dental practice and has profound clinical implications. The method used for quantification resides in the electrochemical impedance spectroscopy theory and has in its main focus the characteristics of the surface titanium oxide layer. This electrochemical technique has been adapted successfully to identify the quality of the Ni-Ti files oxide layer. The modification of this protective layer induces changes in corrosion behavior of the alloy modifying the impedance value of the file. In order to assess the method, 14 ProTaper sets utilized on different patients in a dental clinic have been submitted for testing using EIS. The information obtained in regard to the surface oxide layer has offered an indication of use and proves that the said layer evolves with each clinical application. The novelty of this research is related to an electrochemical technique successfully adapted for Ni-Ti file investigation and correlation with surface and clinical aspects.

  16. Impedance spectroscopy and investigation of conduction mechanism in BaMnO{sub 3} nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Hayat, Khizar [Nanostructured Materials and Devices Group, Department of Chemicals and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences, P.O. Nilore, Islamabad 45650 (Pakistan); Rafiq, M.A., E-mail: fac221@pieas.edu.p [Nanostructured Materials and Devices Group, Department of Chemicals and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences, P.O. Nilore, Islamabad 45650 (Pakistan); Durrani, S.K. [Material Division, Pakistan Institute of Nuclear Science and Technology, P.O. Nilore, Islamabad 45650 (Pakistan); Hasan, M.M. [Nanostructured Materials and Devices Group, Department of Chemicals and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences, P.O. Nilore, Islamabad 45650 (Pakistan)

    2011-02-01

    BaMnO{sub 3} nanorods were synthesized at 200 {sup o}C and atmospheric pressure using the composite-hydroxide mediated method. X-ray diffraction, scanning electron microscopy and energy dispersive X-ray spectroscopy were used to investigate the structure, size, morphology, phase purity and elemental composition of BaMnO{sub 3} nanorods. Electrical characterization of BaMnO{sub 3} pellet was performed at 300-400 K and in the frequency range 200 Hz-2 MHz. Temperature dependence of AC conductivity suggests that the BaMnO{sub 3} pellet behaves as a semiconducting material and conduction across the pellet can be explained by the correlated barrier hopping model. Impedance analysis was performed using the equivalent circuit model (R{sub 1}Q{sub 1}C{sub 1})(R{sub 2}C{sub 2}) and it suggests a single relaxation process in the BaMnO{sub 3} pellet at a particular temperature. The analysis reveals that the BaMnO{sub 3} pellet behaves like an n-type semiconductor material due to the presence of oxygen vacancies and some disorder. Modulus spectroscopy also supports the impedance results.

  17. Electrochemical Impedance Spectroscopy Investigation on the Clinical Lifetime of ProTaper Rotary File System

    Science.gov (United States)

    Pirvu, Cristian; Demetrescu, Ioana

    2014-01-01

    The main objective of the current paper is to show that electrochemical impedance spectroscopy (EIS) could be a method for evaluating and predicting of ProTaper rotary file system clinical lifespan. This particular aspect of everyday use of the endodontic files is of great importance in each dental practice and has profound clinical implications. The method used for quantification resides in the electrochemical impedance spectroscopy theory and has in its main focus the characteristics of the surface titanium oxide layer. This electrochemical technique has been adapted successfully to identify the quality of the Ni-Ti files oxide layer. The modification of this protective layer induces changes in corrosion behavior of the alloy modifying the impedance value of the file. In order to assess the method, 14 ProTaper sets utilized on different patients in a dental clinic have been submitted for testing using EIS. The information obtained in regard to the surface oxide layer has offered an indication of use and proves that the said layer evolves with each clinical application. The novelty of this research is related to an electrochemical technique successfully adapted for Ni-Ti file investigation and correlation with surface and clinical aspects. PMID:24605336

  18. Electrochemical Impedance Spectroscopy Investigation on the Clinical Lifetime of ProTaper Rotary File System

    Directory of Open Access Journals (Sweden)

    Virgil Penta

    2014-01-01

    Full Text Available The main objective of the current paper is to show that electrochemical impedance spectroscopy (EIS could be a method for evaluating and predicting of ProTaper rotary file system clinical lifespan. This particular aspect of everyday use of the endodontic files is of great importance in each dental practice and has profound clinical implications. The method used for quantification resides in the electrochemical impedance spectroscopy theory and has in its main focus the characteristics of the surface titanium oxide layer. This electrochemical technique has been adapted successfully to identify the quality of the Ni-Ti files oxide layer. The modification of this protective layer induces changes in corrosion behavior of the alloy modifying the impedance value of the file. In order to assess the method, 14 ProTaper sets utilized on different patients in a dental clinic have been submitted for testing using EIS. The information obtained in regard to the surface oxide layer has offered an indication of use and proves that the said layer evolves with each clinical application. The novelty of this research is related to an electrochemical technique successfully adapted for Ni-Ti file investigation and correlation with surface and clinical aspects.

  19. Ion suppression and enhancement effects of co-eluting analytes in multi-analyte approaches: systematic investigation using ultra-high-performance liquid chromatography/mass spectrometry with atmospheric-pressure chemical ionization or electrospray ionization.

    Science.gov (United States)

    Remane, Daniela; Meyer, Markus R; Wissenbach, Dirk K; Maurer, Hans H

    2010-11-15

    In multi-analyte procedures, sufficient separation is important to avoid interferences, particularly when using liquid chromatography/mass spectrometry (LC/MS) because of possible ion suppression or enhancement. However, even using ultra-high-performance LC, baseline separation is not always possible. For development and validation of an LC/MS/MS approach for quantification of 140 antidepressants, benzodiazepines, neuroleptics, beta-blockers, oral antidiabetics, and analytes measured in the context of brain death diagnosis in plasma, the extent of ion suppression or enhancement of co-eluting analytes within and between the drug classes was investigated using atmospheric-pressure chemical ionization (APCI) or electrospray ionization (ESI). Within the drug classes, five analytes showed ion enhancement of over 25% and six analytes ion suppression of over 25% using APCI and 16 analytes ion suppression of over 25% using ESI. Between the drug classes, two analytes showed ion suppression of over 25% using APCI. Using ESI, one analyte showed ion enhancement of over 25% and five analytes ion suppression of over 25%. These effects may influence the drug quantification using calibrators made in presence of overlapping and thus interfering analytes. Ion suppression/enhancement effects induced by co-eluting drugs of different classes present in the patient sample may also lead to false measurements using class-specific calibrators made in absence of overlapping and thus interfering analytes. In conclusion, ion suppression and enhancement tests are essential during method development and validation in LC/MS/MS multi-analyte procedures, with special regards to co-eluting analytes.

  20. Primary Ion Depletion Kinetics (PIDK Studies as a New Tool for Investigating Chemical Ionization Fragmentation Reactions with PTR-MS.

    Directory of Open Access Journals (Sweden)

    Erna Schuhfried

    Full Text Available We report on a new approach for studying fragmentation channels in Proton Transfer Reaction-Mass Spectrometry (PTR-MS, which we name primary ion depletion kinetics (PIDK. PTR-MS is a chemical ionization mass spectrometric (CIMS technique deploying hydronium ions for the chemical ionization. Induced by extremely high concentrations of analyte M, depletion of the primary ions in the drift tube occurs. This is observed as quasi zero concentration of the primary ion H3O(+, and constant MH(+. Under these non-standard conditions, we find an overall changed fragmentation. We offer two explanations. Either the changed fragmentation pattern is the result of secondary proton transfer reactions. Or, alternatively, the fast depletion of H3O(+ leads to reduced heating of H3O(+ in the drift field, and consequently changed fragmentation following protonation of the analyte M. In any case, we use the observed changes in fragmentation as a successful new approach to fragmentation studies, and term it primary ion depletion kinetics, PIDK. PIDK easily yields an abundance of continuous data points with little deviation, because they are obtained in one experimental run, even for low abundant fragments. This is an advantage over traditional internal kinetic energy variation studies (electric field per number density (E/N variation studies. Also, some interpretation on the underlying fragmentation reaction mechanisms can be gleamed. We measure low occurring fragmentation (<2% of MH(+ of the compounds dimethyl sulfide, DMS, a compound that reportedly does not fragment, diethyl sulfide DES, and dipropyl sulfide DPS. And we confirm and complement the results with traditional E/N studies. Summing up, the new approach of primary ion depletion kinetics allows for the identification of dehydrogenation [MH(+ -H2] and adduct formation (RMH(+ as low abundant fragmentation channels in monosulfides.

  1. Crystallization and micro FT-IR spectroscopy investigation of cytochrome bc1 complex

    Institute of Scientific and Technical Information of China (English)

    岳文海; 何季平; 谢荣; 徐建兴; 朱克莉; 翁诗甫

    1996-01-01

    A simple method to obtain large red crystals of cytochrome bc1 complex from beef heart mitochondria has been developed. These crystals are very stable. Their shapes are retained for a long time in tip-sealed Pasteur pipets placed in a refrigerator. The structure of crystalline cytochrome bc1 complex by micro FT-IR spectroscopy has been investigated. Based on the IR spectra of cytochrome c, the empirical assignments of the major infrared frequencies of cytochrome bc1 complex are given. Infrared frequencies and relative intensities of variable orientation and section of crystal are significantly different. These imply that infrared spectral characterization of the membrane protein crystallization is associated with the variable symmetries and orientations of the structure. Experimental results show that phospholipid exists in the crystal of cytochrome bc1 complex. The membrane protein is probably spanned on the mitochondrial membrane and buried in phospholipid bilayer in an asymmetric manner.

  2. [Investigation on the detection of pesticide residue in vegetable based on infrared spectroscopy].

    Science.gov (United States)

    Li, Wen-xiu; Xu, Ke-xin; Wang, Yan; Lei, Zhen-lin; Zhang, Zhen-hou

    2004-10-01

    In this paper, the mid-infrared Attenuated Total Reflection (ATR) spectra of two slathered pesticides dichlorvos and trichlorfon in vegetable juice solution have been investigated. It can be concluded that within characteristic absorption region of the two pesticides in the mid-infrared range, the pigments inside the vegetable have no effect on the pesticide' s absorbance; pesticides in standard solution and vegetable juice solution share almost the same absorbance characteristics. These results indicate that: the authors can use the model built by the absorbance data of pesticides in water solution to simulate their absorbance in vegetable solution, then based upon infrared spectroscopy, the direct detection of pesticide residue on the vegetable can be achieved; it also provides a possible way of rapid detection on vegetable in the future.

  3. The influence of additives on beer stability investigated by EPR spectroscopy

    Science.gov (United States)

    Brezová, Vlasta; Polovka, Martin; Staško, Andrej

    2002-04-01

    In thermally-accelerated aging followed by EPR spectroscopy of beer samples of various stabilities, free radical 4-hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPOL) was shown to be an effective indicator of the breakdown of a sample's stability, comparable to the commonly used spin trapping agent α-phenyl- N- tert-butylnitrone (PBN). Both indicators were then employed to investigate the influence of additives on beer stability. The addition of L-ascorbic acid (ASC) to the beer samples accelerated the radical processes and a lower stability was found. DL-α-tocopherol (α-TOC) did not influence beer stability significantly (probably due to its limited solubility). Na 2SO 3, described as a very effective stabilizer in experiments with the PBN spin trap, was found not to be effective using the TEMPOL indicator. This is probably due to inhibition in the formation of spin adducts or their degradation by Na 2SO 3.

  4. Photoluminescence spectroscopy investigation of epitaxial Si/GaSb nanocrystals/Si heterostructure

    Science.gov (United States)

    Goroshko, Dmitry L.; Shevlyagin, Alexander V.; Chusovitin, Evgeniy A.; Dotsenko, Sergey A.; Gutakovskii, Anton K.; Iinuma, M.; Terai, Y.; Subbotin, Evgeniy Yu.; Galkin, Nikolay G.

    2017-09-01

    Two-layer heterostructure with GaSb nanocrystals formed by solid phase epitaxy and embedded into the silicon was investigated using low-temperature (10-140 K) photoluminescence and time-resolved photoluminescence spectroscopies. Two characteristic luminescence bands with a maximum of about 0.82 and 0.87 eV were observed. It was found that low-energy peak is associated with D1 dislocation-related luminescence in silicon. Analysis of the decay components together with temperature and power dependencies of the photoluminescence for the high-energy maximum revealed that emission is more likely originated from the combined D2 dislocation centers in silicon and radiative recombination in type-II band alignment Si/GaSb nanocrystals/Si heterostructure. A nonradiative recombination dominates in all temperature range studied.

  5. Investigation on the Photodissociation of Oxygen from Oxymyoglobin by Fluorescence Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    ZHOU Hua-wei; CAO Hong-yu; TANG Qian; MA Jun-yan; ZHANG Ying-ying; ZHENG Xue-fang

    2011-01-01

    Photodissociation of oxygen from oxymyoglobin(oxyMb)was investigated by means of fluorescence spectroscopy.One of the most important findings of the photodissociation of oxyMb was the discovery of two processes which were affected by excitation intensity,temperature,solvent viscosity,and excitation wavelength.Process Ⅰ(PⅠ)corresponded to oxygen escaping from the binding site at ferrous heme iron atom within the porphyrin ring into the heme pocket,whereas process Ⅱ(PⅡ)was ascribed to oxygen escaping from the heme pocket into the solvent.To elucidate this interesting phenomenon,we proposed a model that oxygen encountered two barriers on its way from the binding site at the ferrous heme iron to the solvent.Reversibility and wavelength sensitivity of the photodissociation were also observed.

  6. Zeeman effect of weak La I lines investigated by the use of optogalvanic spectroscopy

    Science.gov (United States)

    Sobolewski, Ł. M.; Windholz, L.; Kwela, J.

    2017-03-01

    New Landé- gJ factors of 35 energy levels of La I, found from investigations of 40 spectral lines in the wavelength range 562.959÷609.537 nm, were determined. As a source of free La atoms a hollow cathode discharge lamp was used. We monitored the signal of the optogalvanic effect appearing when a laser beam is passing through the hollow cathode. Spectra were recorded in the presence of a magnetic field of about 800 G produced by a permanent magnet, for two linear polarizations of the exciting laser light. Optogalvanic spectroscopy is a very sensitive method, so we were able to observe the Zeeman effect of very weak atomic lines. In this way we have determined for the first time the Landé-gJ factors for 35 recently found levels of neutral La. The Landé gJ- factors for several other levels were reinvestigated.

  7. Investigation of Detectability of Elementary Composition of Rainbow trout muscle with EDS (Energy Dispersive Spectroscopy Method

    Directory of Open Access Journals (Sweden)

    Saltuk Buğrahan CEYHUN

    2017-06-01

    Full Text Available In present study, it is investigated that detectability of elementary composition of rainbow trout muscle using Energy Dispersive Spectroscopy (EDS. EDS system which has worked with attached to scanning electron microscope can do qualitative and semi-quantitative elementary analyses on selected region of sample using characteristic X-rays. For this purpose, it was performed four point and two mapping analyses from four samples. According to results, it was detected 13 elements which are consist of C, N and O in 87.70 percentage. As a result, although the method is sensitive and reliable, it is concluded that not adequate for elemental analysis alone but can be used as a support for analyzes with systems such as especially atomic absorption and ICP-MS.

  8. Stability of seasonal influenza vaccines investigated by spectroscopy and microscopy methods.

    Science.gov (United States)

    Patois, E; Capelle, M A H; Gurny, R; Arvinte, T

    2011-10-06

    The stability of different seasonal influenza vaccines was investigated by spectroscopy and microscopy methods before and after the following stress-conditions: (i) 2 and 4 weeks storage at 25°C, (ii) 1 day storage at 37°C and (iii) one freeze-thaw cycle. The subunit vaccine Influvac (Solvay Pharma) and the split vaccine Mutagrip (Sanofi Pasteur) were affected by all stresses. The split vaccine Fluarix (GlaxoSmithKline) was affected only by storage at 25°C. The virosomal vaccine Inflexal V (Berna Biotech) was stable after the temperature stresses but aggregated after one freeze-thaw cycle. This study provides new insights into commercial vaccines of low antigen concentration and highlights the importance of using multiple techniques to assess vaccine stability.

  9. Investigation of deep level transient spectroscopy (DLTS) of dopant ZnO-based varistors

    Science.gov (United States)

    Ammar, A. H.; Farag, A. A. M.

    2010-03-01

    This work shows that the use of conventional analytical procedures to investigate the deep centers from the deep levels transient spectroscopy (DLTS) for ZnO varistors doped with single, double and ternary dopants of Bi 2O 3, CoO and MnO 2. This is to clarify the effect of these doping atoms on the conductivity of ZnO varistors. The results showed that the doping with Bi 2O 3 +CoO leads to a decrease in the conductivity while doping with Bi 2O 3+MnO 2 increased the conductivity and the three dopants together showed a compensating effect. The DLTS characterizing parameters such as minority-carrier capture cross-section, σ, effective density of states in the minority-carrier band, N D, energy separation between the trap level and the minority-carrier band, Δ E t and electron trap density, N t for each doped varistor were also calculated.

  10. Low energy nuclear spin excitations in Ho metal investigated by high resolution neutron spectroscopy.

    Science.gov (United States)

    Chatterji, Tapan; Jalarvo, Niina

    2013-04-17

    We have investigated the low energy excitations in metallic Ho by high resolution neutron spectroscopy. We found at T = 3 K clear inelastic peaks in the energy loss and energy gain sides, along with the central elastic peak. The energy of this low energy excitation, which is 26.59 ± 0.02 μeV at T = 3 K, decreased continuously and became zero at TN ≈ 130 K. By fitting the data in the temperature range 100-127.5 K with a power law we obtained the power-law exponent β = 0.37 ± 0.02, which agrees with the expected value β = 0.367 for a three-dimensional Heisenberg model. Thus the energy of the low energy excitations can be associated with the order parameter.

  11. Kinetics of the E46Q mutant of photoactive yellow protein investigated by transient grating spectroscopy

    Science.gov (United States)

    Yang, Cheolhee; Kim, Tae Wu; Kim, Youngmin; Choi, Jungkweon; Lee, Sang Jin; Ihee, Hyotcherl

    2017-09-01

    To elucidate the role of internal proton transfer in the photodynamics of photoactive yellow protein (PYP), the photocycle of the Glu46Gln mutant of PYP (E46Q-PYP) is investigated by transient grating (TG) spectroscopy. Compared with wild-type PYP (wt-PYP), the first spectrally blue-shifted intermediate of E46Q-PYP is formed more slowly, which is consistent with the absence of direct protonation from Glu46 residue, if the parallel kinetic model for wt-PYP is invoked. The smaller conformational change in E46Q-PYP, as manifested by the smaller change in the diffusion coefficient, mainly arises from the relatively larger volume of the ground state E46Q-PYP than wt-PYP rather than from the smaller volume of the pB state.

  12. Investigation of the electroreduction of silver sulfite complexes by means of electrochemical FFT impedance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Valiuniene, A., E-mail: ausra.valiuniene@chf.vu.lt [Department of Physical Chemistry, Vilnius University, Naugarduko 24, LT-03225 Vilnius (Lithuania); Baltrunas, G.; Valiunas, R. [Department of Physical Chemistry, Vilnius University, Naugarduko 24, LT-03225 Vilnius (Lithuania); Popkirov, G. [Faculty of Engineering, University of Kiel, Kaiserstr. 2, D-24143 Kiel (Germany)

    2010-08-15

    The electroreduction kinetics of silver sulfite complexes was investigated by electrochemical fast Fourier transform (FFT) impedance spectroscopy (0.061-1500 Hz). The time dependences of the real and imaginary components of impedance were determined in a solution containing 0.05 M Ag (I) and 1 M Na{sub 2}SO{sub 3}. The mean duration of silver ad-atom diffusion on the surface to the nearest crystallization centre was calculated: during the first 210 s of contact with the electrolyte, these values increase from 0.66 up to 1.77 s; thereafter, this variation stabilizes and the mean duration of silver ad-atom diffusion reaches an almost constant value (1.56 s).

  13. Nanosecond multiphoton ionization spectroscopy of transition-metal sandwich compounds: a comparative study of nickelocene, ferrocene and bis(η-benzene)chromium

    Science.gov (United States)

    Ketkov, Sergey Yu.; Selzle, Heinrich L.; Schlag, Edward W.

    Efficient multiphoton ionization of nickelocene, ferrocene and bis(η6-benzene)chromium was achieved on excitation of jet-cooled sandwich molecules with nanosecond pulses of dye lasers via an intermediate low-lying Rydberg 4px,y level. One-colour photoionization mass spectra revealing solely molecular ion signals were obtained. The signal intensity increases significantly when an intense pulse of a second dye laser is used for ionization of the Rydberg-state molecules. Two-colour resonance-enhanced multiphoton ionization spectra of Cp2Fe (Cp = η5-C5H5) and Bz2Cr (Bz = η6-C6H6) show vibronic structures of the a1g(3dz2) → e1u(R4px,y) transition. The metal-ligand symmetric stretch ν4 wavenumbers for the Rydberg-state molecules are 310 and 263 cm-1, respectively. Multiphoton mass-analysed threshold ionization (MATI) signals appear for Bz2Cr when the TMPH1749math001 ν4 wavenumber for the ground-state Bz2Cr+ cation is 262 cm-1 as determined from the MATI spectrum. The influence of electronic structure on the photoionization behaviour of the sandwich molecules is discussed.

  14. Prion structure investigated in situ, ex vivo, and in vitro by FTIR spectroscopy

    Science.gov (United States)

    Kneipp, Janina; Miller, Lisa M.; Spassov, Sashko; Sokolowski, Fabian; Lasch, Peter; Beekes, Michael; Naumann, Dieter

    2004-07-01

    Syrian hamster nervous tissue was investigated by FTIR microspectroscopy with conventional and synchrotron infrared light sources. Various tissue structures from the cerebellum and medulla oblongata of scrapie-infected and control hamsters were investigated at a spatial resolution of 50 μm. Single neurons in dorsal root ganglia of scrapie-infected hamsters were analyzed by raster scan mapping at 6 μm spatial resolution. These measurements enabled us to (i) scrutinize structural differences between infected and non-infected tissue and (ii) analyze for the first time the distribution of different protein structures in situ within single nerve cells. Single nerve cells exhibited areas of increased β-sheet content, which co-localized consistently with accumulations of the pathological prion protein (PrPSc). Spectral data were also obtained from purified, partly proteinase K digested PrPSc isolated from scrapie-infected nervous tissue of hamsters to elucidate similarities/dissimilarities between prion structure in situ and ex vivo. A further comparison is drawn to the recombinant Syrian hamster prion protein SHaPrP90-232, whose in vitro transition from the predominantly a-helical isoform to β-sheet rich oligomeric structures was also investigated by FTIR spectroscopy.

  15. Electron beam quality kQ,Q0 factors for various ionization chambers: a Monte Carlo investigation with penelope

    Science.gov (United States)

    Erazo, F.; Brualla, L.; Lallena, A. M.

    2014-11-01

    In this work we calculate the beam quality correction factor {{k}\\text{Q,{{\\text{Q}}0}}} for various plane-parallel ionization chambers. A set of Monte Carlo calculations using the code penelope/penEasy have been carried out to calculate the overall correction factor fc,Q for eight electron beams corresponding to a Varian Clinac 2100 C/D, with nominal energies ranging between 6 MeV and 22 MeV, for a 60Co beam, that has been used as the reference quality Q0 and also for eight monoenergetic electron beams reproducing the quality index R50 of the Clinac beams. Two field sizes, 10 × 10 cm2 and 20 × 20 cm2 have been considered. The {{k}\\text{Q,{{\\text{Q}}0}}} factors have been calculated as the ratio between fc,Q and {{f}\\text{c,{{\\text{Q}}0}}} . Values for the Exradin A10, A11, A11TW, P11, P11TW, T11 and T11TW ionization chambers, manufactured by Standard Imaging, as well as for the NACP-02 have been obtained. The results found with the Clinac beams for the two field sizes analyzed show differences below 0.6%, even in the case of the higher energy electron beams. The {{k}\\text{Q,{{\\text{Q}}0}}} values obtained with the Clinac beams are 1% larger than those found with the monoenergetic beams for the higher energies, above 12 MeV. This difference can be ascribed to secondary photons produced in the linac head and the air path towards the phantom. Contrary to what was quoted in a previous work (Sempau et al 2004 Phys. Med. Biol. 49 4427-44), the beam quality correction factors obtained with the complete Clinac geometries and with the monoenergetic beams differ significantly for energies above 12 MeV. Material differences existing between chambers that have the same geometry produce non-negligible modifications in the value of these correction factors.

  16. Mössbauer Spectroscopy Investigation and Hydrodesulfurization Properties of Iron–nickel Phosphide Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Gaudette, Amy F.; Burns, Autumn W.; Hayes, John R.; Smith, Mica C.; Bowker, Richard H.; Seda, Takele; Bussell, Mark E.

    2010-05-25

    Unsupported and silica-supported FexNi2-xPy catalysts having a range of metal compositions (0 < x 6 2.0) were investigated using Mössbauer spectroscopy, and the results correlated with the surface and hydrodesulfurization (HDS) properties of the supported catalysts. Mössbauer spectroscopy permits determination of the relative site occupancy of Fe atoms in tetrahedral (M(1)) and pyramidal (M(2)) sites in the FexNi2-xPy materials. Fe atoms preferentially occupy M(2) sites for materials with significant Fe contents (x > ~0.60), but the Fe site preference reverses as the Fe content decreases (x < ~0.60). Similar occupation trends are observed for the unsupported and silica-supported FexNi2-xPy materials. Thiophene HDS measurements of the FexNi2-xPy/SiO2 catalysts revealed catalysts with high Fe contents (0.80 6 x 6 2.00) to have low activities, while the activities of Ni-rich catalysts increased dramatically with increased Ni content (0.03 6 x 6 0.60). The highest HDS activity was measured for a catalyst having a nominal precursor composition of Fe0.03Ni1.97P2.00/SiO2; this catalyst was 40% more active than a optimized nickel phosphide catalyst prepared from a precursor having a nominal composition of Ni2.00P1.60/SiO2. The 25 wt.% Fe0.03Ni1.97P2.00/SiO2 catalyst also had a dibenzothiophene HDS activity just over 10% higher than that of the 25 wt.% Ni2.00P1.60/SiO2 catalyst at 548 K. The trend of increasing HDS activity for the FexNi2-xPy/ SiO2 catalysts correlates with preferential Fe occupation of M(1) sites (and, therefore, Ni occupation of M(2) sites). Supported by X-ray photoelectron spectroscopy and oxygen chemisorption measurements, we conclude that the high activity of Ni-rich FexNi2-xPy/SiO2 catalysts can be traced to a high surface density of Ni in M(2) sites that are resistant to site blockage due to S incorporation.

  17. Investigating Nanoscale Electrochemistry with Surface- and Tip-Enhanced Raman Spectroscopy.

    Science.gov (United States)

    Zaleski, Stephanie; Wilson, Andrew J; Mattei, Michael; Chen, Xu; Goubert, Guillaume; Cardinal, M Fernanda; Willets, Katherine A; Van Duyne, Richard P

    2016-09-20

    The chemical sensitivity of surface-enhanced Raman spectroscopy (SERS) methodologies allows for the investigation of heterogeneous chemical reactions with high sensitivity. Specifically, SERS methodologies are well-suited to study electron transfer (ET) reactions, which lie at the heart of numerous fundamental processes: electrocatalysis, solar energy conversion, energy storage in batteries, and biological events such as photosynthesis. Heterogeneous ET reactions are commonly monitored by electrochemical methods such as cyclic voltammetry, observing billions of electrochemical events per second. Since the first proof of detecting single molecules by redox cycling, there has been growing interest in examining electrochemistry at the nanoscale and single-molecule levels. Doing so unravels details that would otherwise be obscured by an ensemble experiment. The use of optical spectroscopies, such as SERS, to elucidate nanoscale electrochemical behavior is an attractive alternative to traditional approaches such as scanning electrochemical microscopy (SECM). While techniques such as single-molecule fluorescence or electrogenerated chemiluminescence have been used to optically monitor electrochemical events, SERS methodologies, in particular, have shown great promise for exploring electrochemistry at the nanoscale. SERS is ideally suited to study nanoscale electrochemistry because the Raman-enhancing metallic, nanoscale substrate duly serves as the working electrode material. Moreover, SERS has the ability to directly probe single molecules without redox cycling and can achieve nanoscale spatial resolution in combination with super-resolution or scanning probe microscopies. This Account summarizes the latest progress from the Van Duyne and Willets groups toward understanding nanoelectrochemistry using Raman spectroscopic methodologies. The first half of this Account highlights three techniques that have been recently used to probe few- or single-molecule electrochemical

  18. Investigation Of Li{sub X}CoO{sub 2} Li- Intercalation Electrodes Using X-Ray Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Haas, O.; Holzapfel, M.; Yang, X.Q. [BNL Lab (United States); Yoon, W.-S. [BNL Lab (United States); Chung, K.-Y. [BNL Lab (United States)

    2005-03-01

    Li{sub X}CoO{sub 2} was investigated with X-ray absorption spectroscopy using hard and soft X-rays and compared with some results obtained in previous investigations of La{sub (1-x)}-Ca{sub x}CoO{sub 3}, which has a similar electron configuration. (author)

  19. Investigating the host galaxies of luminous AGN in the local universe with integral field spectroscopy

    Science.gov (United States)

    McElroy, Rebecca; Croom, Scott; Husemann, Bernd; Close AGN Reference Survey; SAMI Galaxy Survey

    2017-01-01

    This thesis investigates how galaxies and their super massive black holes coevolve. We use integral field spectroscopy to search for evidence of AGN feedback and triggering. We demonstrate that outflows are ubiquitous among luminous local type 2 AGN using observations from the AAT's SPIRAL instrument. Using multiple component Gaussian emission line decomposition we are able to disentangle the kinematic and ionisation properties of these winds. This allows us to argue that the outflows from these AGN are directly impacting the surrounding ISM within the galaxies. We search for evidence of AGN triggering using data from The Close AGN Reference Survey (CARS). CARS aims to provide a detailed multi-wavelength view of 40 nearby (0.01 type not once, but twice. So called ‘changing look’ AGN are an uncommon phenomenon, but twice changed AGN are much rarer. This AGN first transitioned from a narrow line AGN (type 2) to a broad line AGN (type 1) in the 1980s. It was recently observed as part of CARS. Examination of the MUSE data for this particular source showed that it no longer had the spectral features typical of a type 1 AGN. The continuum emission from the accretion disk was no longer visible and the broad lines were dramatically diminished. In this talk we describe the possible reasons for this change, supported by analysis of multi-epoch optical photometry and spectroscopy, alongside data obtained through director’s discretionary time from Chandra, HST, and the VLA. We then conclude by discussing the implications of this discovery on our understanding of AGN timescales and the physics behind AGN spectral types.

  20. Electronic structure investigation of atomic layer deposition ruthenium(oxide) thin films using photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Michael, E-mail: mvschaefer@mail.usf.edu, E-mail: schlaf@mail.usf.edu [Department of Physics, University of South Florida, Tampa, Florida 33620 (United States); Schlaf, Rudy, E-mail: mvschaefer@mail.usf.edu, E-mail: schlaf@mail.usf.edu [Department of Electrical Engineering, University of South Florida, Tampa, Florida 33620 (United States)

    2015-08-14

    Analyzing and manipulating the electronic band line-up of interfaces in novel micro- and nanoelectronic devices is important to achieve further advancement in this field. Such band alignment modifications can be achieved by introducing thin conformal interfacial dipole layers. Atomic layer deposition (ALD), enabling angstrom-precise control over thin film thickness, is an ideal technique for this challenge. Ruthenium (Ru{sup 0}) and its oxide (RuO{sub 2}) have gained interest in the past decade as interfacial dipole layers because of their favorable properties like metal-equivalent work functions, conductivity, etc. In this study, initial results of the electronic structure investigation of ALD Ru{sup 0} and RuO{sub 2} films via photoemission spectroscopy are presented. These experiments give insight into the band alignment, growth behavior, surface structure termination, and dipole formation. The experiments were performed in an integrated vacuum system attached to a home-built, stop-flow type ALD reactor without exposing the samples to the ambient in between deposition and analysis. Bis(ethylcyclopentadienyl)ruthenium(II) was used as precursor and oxygen as reactant. The analysis chamber was outfitted with X-ray photoemission spectroscopy (LIXPS, XPS). The determined growth modes are consistent with a strong growth inhibition situation with a maximum average growth rate of 0.21 Å/cycle for RuO{sub 2} and 0.04 Å/cycle for Ru.{sup 0} An interface dipole of up to −0.93 eV was observed, supporting the assumption of a strongly physisorbed interface. A separate experiment where the surface of a RuO film was sputtered suggests that the surface is terminated by an intermediate, stable, non-stoichiometric RuO{sub 2}/OH compound whose surface is saturated with hydroxyl groups.

  1. Theoretical Investigation on Excitation, Ionization and Capture in H(1s, 2s) + H(1s, 2s) Collisions

    Institute of Scientific and Technical Information of China (English)

    CHEN Lan-Fang; ZHU Xiao-Long; MA Xin-Wen; LIU Ling; HE Bin; WANG Jian-Guo; Ratko JANEV

    2008-01-01

    @@ Cross sections of electron-loss in H(1s)+ H(1s) collisions and total collisional destruction of H(2s) in H(1s) + H(2s) collisions are calculated by four-body classical-trajectory Monte Carlo (CTMC) method and compared with previous theoretical and experimental data over the energy range of 4-100 keV. For the former a good agreement is obtained within different four-body CTMC calculations, and for the incident energy Ep > 10 keV, comparison with the experimental data shows a better agreement than the results calculated by the impact parameter approx-imation. For the latter, our theory predicts the correct experimental behaviour, and the discrepancies between our results and experimental ones are less than 30%. Based on the successive comparison with experiments, the cross sections for excitation to H(2p), single- and double-ionization and H- formation in H(2s)+H(2s) collisions are calculated in the energy range of 4-100 keV for the first time, and compared with those in H(1s)+H(1s) and H(1s)+H(2s) collisions.

  2. Photo induced ionization dynamics of the nitrogen vacancy defect in diamond investigated by single shot charge state detection

    CERN Document Server

    Aslam, N; Neumann, P; Jelezko, F; Wrachtrup, J

    2012-01-01

    The nitrogen-vacancy centre (NV) has drawn much attention for over a decade, yet detailed knowledge of the photophysics needs to be established. Under typical conditions, the NV can have two stable charge states, negative (NV-) or neutral (NV0), with photo induced interconversion of these two states. Here, we present detailed studies of the ionization dynamics of single NV centres in bulk diamond at room temperature during illumination in dependence of the excitation wavelength and power. We apply a recent method which allows us to directly measure the charge state of a single NV centre, and observe its temporal evolution. Results of this work are the steady state NV- population, which was found to be always < 75% for 450 to 610 nm excitation wavelength, the relative absorption cross-section of NV- for 540 to 610 nm, and the energy of the NV- ground state of 2.6 eV below the conduction band. These results will help to further understand the photo-physics of the NV centre.

  3. Investigation of the Reactivity of Oligodeoxynucleotides with Glyoxal and KMnO4 Chemical Probes by Electrospray Ionization Mass Spectrometry

    Science.gov (United States)

    Parr, Carol; Pierce, Sarah E.; Smith, Suncerae I.; Brodbelt, Jennifer S.

    2010-01-01

    The reactions of two well-known chemical probes, glyoxal and potassium permanganate (KMnO4), with oligodeoxynucleotides were monitored by electrospray ionization (ESI) mass spectrometry to evaluate the influence of the sequence of DNA, its secondary structure, and interactions with associated ligands on the reactivity of the two probes. Glyoxal, a guanine-reactive probe, incorporated a mass shift of 58 Da, and potassium permanganate (KMnO4) is a thymine-reactive probe that resulted in a mass shift of 34 Da. The reactions depended on the accessibility of the nucleobases, and the peak abundances of the adducts in the ESI-mass spectra were used to quantify the extent of the chemical probe reactions. In this study, both mixed-base sequences were studied as well as control sequences in which one reactive site was located at the terminus or center of the oligodeoxynucleotide while the surrounding bases were a second, different nucleobase. In addition, the reactions of the chemical probes with non-covalent complexes formed between DNA and either actinomycin D or ethidium bromide, both known to interact with single strand DNA, were evaluated. PMID:21743793

  4. Investigation of porous media combustion by coherent anti-Stokes Raman spectroscopy

    Science.gov (United States)

    Weikl, M. C.; Tedder, S. A.; Seeger, T.; Leipertz, A.

    2010-10-01

    High efficiency, marginal pollutant emissions and low fuel consumption are desirable standards for modern combustion devices. The porous burner technology is a modern type of energy conversion with a strong potential to achieve these standards. However, due to the solid ceramic framework investigation of the thermodynamic properties of combustion, for example temperature, is difficult. The combustion process inside the ceramic structure of a porous burner was experimentally investigated by coherent anti-Stokes Raman spectroscopy (CARS). In this work, we present measurements using dual-pump dual-broadband CARS (DP-DBB-CARS) of temperature and species concentrations inside the reaction and flue gas zone of a porous media burner. Improvements to the setup and data evaluation procedure in contrast to previous measurements are discussed in detail. The results at varied thermal power and stoichiometry are presented. In addition, measurements at a range of radial positions inside a pore are conducted and correlated with the solid structure of the porous foam, which was determined by X-ray computer tomography.

  5. Plasma Wind Tunnel Investigation of European Ablators in Nitrogen/Methane Using Emission Spectroscopy

    Directory of Open Access Journals (Sweden)

    Ricarda Wernitz

    2013-01-01

    Full Text Available For atmospheric reentries at high enthalpies ablative heat shield materials are used, such as those for probes entering the atmosphere of Saturn’s moon Titan, such as Cassini-Huygens in December, 2004. The characterization of such materials in a nitrogen/methane atmosphere is of interest. A European ablative material, AQ60, has been investigated in plasma wind tunnel tests at the IRS plasma wind tunnel PWK1 using the magnetoplasma dynamic generator RD5 as plasma source in a nitrogen/methane atmosphere. The dimensions of the samples are 45 mm in length with a diameter of 39 mm. The actual ablator has a thickness of 40 mm. The ablator is mounted on an aluminium substructure. The experiments were conducted at two different heat flux regimes, 1.4 MW/m2 and 0.3 MW/m2. In this paper, results of emission spectroscopy at these plasma conditions in terms of plasma species’ temperatures will be presented, including the investigation of the free-stream species, N2 and N2+, and the major erosion product C2, at a wavelength range around 500 nm–600 nm.

  6. Direct affinity of dopamine to lipid membranes investigated by Nuclear Magnetic Resonance spectroscopy.

    Science.gov (United States)

    Matam, Yashasvi; Ray, Bruce D; Petrache, Horia I

    2016-04-08

    Dopamine, a naturally occurring neurotransmitter, plays an important role in the brain's reward system and acts on sensory receptors in the brain. Neurotransmitters are contained in lipid membraned vesicles and are released by exocytosis. All neurotransmitters interact with transport and receptor proteins in glial cells, on neuronal dendrites, and at the axonal button, and also must interact with membrane lipids. However, the extent of direct interaction between lipid membranes in the absence of receptors and transport proteins has not been extensively investigated. In this report, we use UV and NMR spectroscopy to determine the affinity and the orientation of dopamine interacting with lipid vesicles made of either phosphatidylcholine (PC) or phosphatidylserine (PS) lipids which are primary lipid components of synaptic vesicles. We quantify the interaction of dopamine's aromatic ring with lipid membranes using our newly developed method that involves reference spectra in hydrophobic environments. Our measurements show that dopamine interacts with lipid membranes primarily through the aromatic side opposite to the hydroxyl groups, with this aromatic side penetrating deeper into the hydrophobic region of the membrane. Since dopamine's activity involves its release into extracellular space, we have used our method to also investigate dopamine's release from lipid vesicles. We find that dopamine trapped inside PC and PS vesicles is released into the external solution despite its affinity to membranes. This result suggests that dopamine's interaction with lipid membranes is complex and involves both binding as well as permeation through lipid bilayers, a combination that could be an effective trigger for apoptosis of dopamine-generating cells.

  7. Light-Induced Infrared Difference Spectroscopy in the Investigation of Light Harvesting Complexes

    Directory of Open Access Journals (Sweden)

    Alberto Mezzetti

    2015-07-01

    Full Text Available Light-induced infrared difference spectroscopy (IR-DS has been used, especially in the last decade, to investigate early photophysics, energy transfer and photoprotection mechanisms in isolated and membrane-bound light harvesting complexes (LHCs. The technique has the definite advantage to give information on how the pigments and the other constituents of the biological system (proteins, membranes, etc. evolve during a given photoreaction. Different static and time-resolved approaches have been used. Compared to the application of IR-DS to photosynthetic Reaction Centers (RCs, however, IR-DS applied to LHCs is still in an almost pioneering age: very often sophisticated techniques (step-scan FTIR, ultrafast IR or data analysis strategies (global analysis, target analysis, multivariate curve resolution are needed. In addition, band assignment is usually more complicated than in RCs. The results obtained on the studied systems (chromatophores and RC-LHC supercomplexes from purple bacteria; Peridinin-Chlorophyll-a-Proteins from dinoflagellates; isolated LHCII from plants; thylakoids; Orange Carotenoid Protein from cyanobacteria are summarized. A description of the different IR-DS techniques used is also provided, and the most stimulating perspectives are also described. Especially if used synergically with other biophysical techniques, light-induced IR-DS represents an important tool in the investigation of photophysical/photochemical reactions in LHCs and LHC-containing systems.

  8. The flexibility of hydrated bovine serum albumin investigated by THz spectroscopy and molecular modeling

    Science.gov (United States)

    Mernea, Maria; Calborean, Octavian; Petrescu, Livia; Dinca, Mihai P.; Leca, Aurel; Apostol, Dan; Dascalu, Traian; Mihailescu, Dan

    2010-05-01

    The native cellular environment represents a crowded system comprising high concentrations of soluble molecules that interact mostly in a nonspecific manner. Some of the macromolecular crowding effects occurring in biological media are conformational changes and macromolecular associations. Most of our knowledge on protein folding and protein-protein interactions was acquired from experiments on proteins in dilute solutions or from theoretical models of isolated proteins in either explicit or implicit solvent. Here we present a 50% w/w bovine serum albumin (BSA) solution model that comprises two solute molecules included in a single water box. We determined the vibration spectrum of the 50% w/w BSA solution using THz spectroscopy and we calculated the theoretical THz spectrum. We observed a good correlation between the experimental and theoretical spectra for the frequency range of 0.3 - 1.5 THz. We also investigated the contribution of each BSA molecule to the solution THz spectrum by simulating THz spectra of the two BSA molecules from the solution model and water, each accounting for a 50% w/w BSA solution. The spectra appear to be similar. As the two molecules in our solution model have different conformations, we investigated the importance of the apparently insignificant differences between simulated THz spectra of the two proteins. We found that the differences should be considered significant, as they reflect differences between the flexibility of the two BSA molecules.

  9. Surface Investigation of Photo-Degraded Wood by Colour Monitoring, Infrared Spectroscopy, and Hyperspectral Imaging

    Directory of Open Access Journals (Sweden)

    Giorgia Agresti

    2013-01-01

    Full Text Available The aim of this investigation is to study the changes occurring on the surface of poplar wood exposed to artificial irradiation in a Solar Box. Colour changes were monitored with a reflectance spectrophotometer. Surface chemical modifications were evaluated by measuring the infrared spectra. Hyperspectral imaging was also applied to study the surface wood changes in the visible-near infrared and the short wave infrared wavelength ranges. The data obtained from the different techniques were compared to find the possible correlations in order to evaluate the applicability of the Hyperspectral imaging to investigate wood modifications in a non-invasive modality. The study of colour changes showed an important variation due to photo-irradiation which is the greatest change occurring within the first 24 hours. Infrared spectroscopy revealed that lignin degrades mainly in the first 48 hours. Concerning Hyperspectral imaging, the spectral features in the visible-near infrared range are mainly linked to the spectral shape, whereas in the short wave infrared cellulose and lignin affect shape and reflectance levels. The proposed approach showed that a correlation can be established between colour variation and wood degradation in the visible-near infrared range; furthermore in the short wave infrared region surface chemical changes can be assessed.

  10. Scanning angle Raman spectroscopy: Investigation of Raman scatter enhancement techniques for chemical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Matthew W. [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    This thesis outlines advancements in Raman scatter enhancement techniques by applying evanescent fields, standing-waves (waveguides) and surface enhancements to increase the generated mean square electric field, which is directly related to the intensity of Raman scattering. These techniques are accomplished by employing scanning angle Raman spectroscopy and surface enhanced Raman spectroscopy. A 1064 nm multichannel Raman spectrometer is discussed for chemical analysis of lignin. Extending dispersive multichannel Raman spectroscopy to 1064 nm reduces the fluorescence interference that can mask the weaker Raman scattering. Overall, these techniques help address the major obstacles in Raman spectroscopy for chemical analysis, which include the inherently weak Raman cross section and susceptibility to fluorescence interference.

  11. Ionization processes in a local analogue of distant clumpy galaxies: VLT MUSE IFU spectroscopy and FORS deep images of the TDG NGC 5291N

    CERN Document Server

    Fensch, J; Weilbacher, P M; Boquien, M; Zackrisson, E

    2016-01-01

    We present IFU observations with MUSE@VLT and deep imaging with FORS@VLT of a dwarf galaxy recently formed within the giant collisional HI ring surrounding NGC 5291. This TDG-like object has the characteristics of typical z=1-2 gas-rich spiral galaxies: a high gas fraction, a rather turbulent clumpy ISM, the absence of an old stellar population, a moderate metallicity and star formation efficiency. The MUSE spectra allow us to determine the physical conditions within the various complex substructures revealed by the deep optical images, and to scrutinize at unprecedented spatial resolution the ionization processes at play in this specific medium. Starburst age, extinction and metallicity maps of the TDG and surrounding regions were determined using the strong emission lines Hbeta, [OIII], [OI], [NII], Halpha and [SII] combined with empirical diagnostics. Discrimination between different ionization mechanisms was made using BPT--like diagrams and shock plus photoionization models. Globally, the physical condit...

  12. Predictions for Fourier-resolved X-ray spectroscopy from the model of magnetic flare avalanches above an accretion disc with hot ionized skin

    CERN Document Server

    Zycki, P T

    2002-01-01

    The magnetic flare avalanches model of Poutanen & Fabian for X-ray variability of accreting black holes is combined with computations of vertical structure of illuminated accretion discs in hydrostatic equilibrium. The latter predict the existence of a hot ionized skin, due to the thermal instability of X-ray illuminated plasma. The presence of such ionized skin, with properties dependent on disc radius, introduces a dependence of the emitted X-ray spectrum on the position on the disc. If the position is related to the time scale of the flares, the X-ray energy spectra (both the primary continuum and the reprocessed component) gain an additional dependence on Fourier frequency, beside that resulting from spectral evolution during a flare. We compute the Fourier frequency resolved spectra in this model and demonstrate that the presence of the hot skin introduces trends opposite to those observed in black hole binaries. Furthermore, the flare profile is strongly constrained, if the Fourier frequency depende...

  13. X-RAY HIGH-RESOLUTION SPECTROSCOPY REVEALS FEEDBACK IN A SEYFERT GALAXY FROM AN ULTRA-FAST WIND WITH COMPLEX IONIZATION AND VELOCITY STRUCTURE

    Energy Technology Data Exchange (ETDEWEB)

    Longinotti, A. L. [Catedrática CONACYT—Instituto Nacional de Astrofísica, Óptica y Electrónica, Luis E. Erro 1, Tonantzintla, Puebla, C.P. 72840, México (Mexico); Krongold, Y. [Instituto de Astronomia, Universidad Nacional Autonoma de Mexico, Apartado Postal 70264, 04510 Mexico D.F. (Mexico); Guainazzi, M.; Santos-Lleo, M.; Rodriguez-Pascual, P. [ESAC, P.O. Box, 78 E-28691 Villanueva de la Cañada, Madrid (Spain); Giroletti, M. [INAF Osservatorio di Radioastronomia, via Gobetti 101, I-40129 Bologna (Italy); Panessa, F. [INAF—Istituto di Astrofisica e Planetologia Spaziali di Roma (IAPS), Via del Fosso del Cavaliere 100, I-00133 Roma (Italy); Costantini, E. [SRON Netherlands Institute for Space Research, Sorbonnelaan 2, 3584 CA Utrecht (Netherlands)

    2015-11-10

    Winds outflowing from active galactic nuclei (AGNs) may carry significant amounts of mass and energy out to their host galaxies. In this paper we report the detection of a sub-relativistic outflow observed in the narrow line Seyfert 1 galaxy IRAS 17020+4544 as a series of absorption lines corresponding to at least five absorption components with an unprecedented wide range of associated column densities and ionization levels and velocities in the range of 23,000–33,000 km s{sup −1}, detected at X-ray high spectral resolution (E/ΔE ∼ 1000) with the ESA's observatory XMM-Newton. The charge states of the material constituting the wind clearly indicate a range of low to moderate ionization states in the outflowing gas and column densities that are significantly lower than observed in highly ionized ultra-fast outflows. We estimate that at least one of the outflow components may carry sufficient energy to substantially suppress star formation and heat the gas in the host galaxy. IRAS 17020+4544 therefore provides an interesting example of feedback by a moderately luminous AGN that is hosted in a spiral galaxy, a case barely envisaged in most evolution models, which often predict that feedback processes take place in massive elliptical galaxies hosting luminous quasars in a post-merger phase.

  14. X-ray high-resolution spectroscopy reveals feedback in a Seyfert galaxy from an ultra fast wind with complex ionization and velocity structure

    CERN Document Server

    Longinotti, Anna Lia; Guainazzi, Matteo; Giroletti, Marcello; Panessa, Francesca; Costantini, Elisa; Lleo, Maria Santos; Rodriguez-Pascual, Pedro

    2015-01-01

    Winds outflowing from Active Galactic Nuclei (AGNs) may carry significant amount of mass and energy out to their host galaxies. In this paper we report the detection of a sub-relativistic outflow observed in the Narrow Line Seyfert 1 Galaxy IRAS17020+4544 as a series of absorption lines corresponding to at least 5 absorption components with an unprecedented wide range of associated column densities and ionization levels and velocities in the range of 23,000-33,000 km/s, detected at X-ray high spectral resolution (E/Delta E ~1000) with the ESA's observatory XMM-Newton. The charge states of the material constituting the wind clearly indicate a range of low to moderate ionization states in the outflowing gas and column densities significantly lower than observed in highly ionized ultra fast outflows. We estimate that at least one of the outflow components may carry sufficient energy to substantially suppress star formation, and heat the gas in the host galaxy. IRAS17020+4544 provides therefore an interesting exa...

  15. Investigation of hydrogen bonded molecular solids by diffraction, spectroscopy, and computational chemistry

    Science.gov (United States)

    Hudson, Matthew R.

    The nature of hydrogen-bonding interactions in the solid state is examined through the investigation of molecular crystals by incoherent inelastic neutron scattering (INS) spectroscopy, Raman spectroscopy, X-ray and neutron diffraction, and computational chemistry. The molecular solids studied range from small organic molecules to larger inorganic acid salts. Hydrogen bonding is the primary mode of interaction in the solid state for each of the systems studied. INS spectra were collected at 25 K for each molecular solid and the motions of the hydrogen atoms assigned. Raman spectra were collected at 78 and 298 K to aid in the molecular mode assignments of the INS spectra and to examine possible phase changes as a function of temperature. Neutron diffraction was employed, when possible, to accurately locate the hydrogen atom positions, and X-ray diffraction was performed to obtain accurate unit cell dimensions and to obtain initial characterizations of the samples. The diffraction structures served as the basis for solid-state density functional theory (DFT) calculations. DFT simulations were used to aid in the vibrational normal mode assignments, to investigate possible solid-phase transitions, and as a test of the limits of basis sets and the available DFT theory. Of the six molecular solids studied, several important observations were made: (1) the determination of a structural phase transition in L-alanine alaninium nitrate by both spectroscopic and theoretical methods, (2) the structure of picolinic acid was elucidated at 25 K and room-temperature by the combination of INS and theory, (3) glycine lithium sulfate was found to be a useful test of DFT to accurately optimize the structure and calculate the normal modes of a complex 3D network of hydrogen-bonding interactions, (4) nicotinic acid was found to be a useful test of one dimensional hydrogen-bonding interactions with pi-stacking interactions dominating the orthogonal directions, and (5) parabanic acid

  16. Nitrogen Molecule-Ethylene Sulfide Complex Investigated by Fourier Transform Microwave Spectroscopy and AB Initio Calculation

    Science.gov (United States)

    Iwano, Sakae; Kawashima, Yoshiyuki; Hirota, Eizi

    2016-06-01

    We have systematically investigated the van der Waals complexes consisting of the one from each of the two groups: (Rg, CO, N_2 or CO_2) and (dimethyl ether, dimethyl sulfide, ethylene oxide or ethylene sulfide), by using Fourier transform microwave spectroscopy supplemented by ab initio MO calculations, in order to understand the dynamical behavior of van der Waals complexes and to obtain information on the potential function to internal motions in complexes. Two examples of the N_2 complex were investigated: N_2-DME (dimethyl ether), for which we reported a preliminary result and N_2-EO (ethylene oxide). In the present study we focused attention to the N_2-ES (ethylene sulfide) complex. We have detected two sets of the {b}-type transitions for the 15N_2-ES in ortho and para states, and have analyzed them by using the asymmetric-rotor program of {A}-reduction. In contrast with the N_2-EO, for which each of the ortho and para states were found split into a strong/weak pair, only some transitions of the 15N_2-ES were accompanied by two or three components. The observed spectra of the 14N_2-ES were complicated because of hyperfine splittings due to the nuclear quadrupole coupling of the two nitrogen atoms. We concluded that the N_2 moiety was located in the plane perpendicular to the C-S-C plane and bisecting the CSC angle of the ES. Two isomers were expected to exist for 15NN-ES, one with 15N in the inner and the other in the outer position, and in fact two sets of the spectra were detected. We have carried out ab initio molecular orbital calculations at the level of MP2 with basis sets 6-311++G(d, p), aug-cc-pVDZ, and aug-cc-pVTZ, to complement the information on the intracomplex motions obtained from the observed rotational spectra. Y. Kawashima, A. Sato, Y. Orita, and E. Hirota, J. Phys. Chem. A, 2012 116, 1224 Y. Kawashima, Y. Tatamitani, Y. Morita, and E. Hirota, 61st International Symposium on Molecular Spectroscopy, TE10 (2006) Y. Kawashima and E. Hirota, J

  17. [Experimental investigation of the collection efficiency of a PTW Roos ionization chamber irradiated with pulsed beams at high pulse dose with different pulse lengths].

    Science.gov (United States)

    Karsch, Leonhard; Richter, Christian; Pawelke, Jörg

    2011-01-01

    In gas-filled ionization chambers as radiation detectors, the collection of the charge carriers is affected by the recombination effect. In dosimetry this effect must be accounted for by the saturation correction factor k(S). The physical description of the correction factor by Boag, Hochhäuser and Balk for pulsed radiation is well established. However, this description is only accurate when the pulse length is short compared to the collection time of the ionization chamber. In this work experimental investigations of the saturation correction factor have been made for pulses of 4 μ s up to pulse doses of about 230 mGy, and the theory of Boag, Hochhäuser and Balk was again confirmed. For longer pulses, however, the correction factor decreases and at a pulse duration of about 200μs reaches 75% of the value valid for short pulses. This reduced influence of the ion recombination is interpreted by the reaction kinetics of ion recombination as a second-order reaction. This effect is negligible for PTW Roos chambers at clinical linear accelerators with 4 μ s pulse duration for pulse doses up to 120 mGy.

  18. Epoxy-based hydrogels investigated by high-frequency dielectric relaxation spectroscopy.

    Science.gov (United States)

    Krakovský, Ivan; Shikata, Toshiyuki; Hasegawa, Ryuta

    2013-11-14

    Using high-frequency dielectric relaxation spectroscopy, nanophase-separated structures of epoxy-based hydrogels were investigated as a function of water content at 25 °C. The dielectric spectra resulting from the hydrogels were reasonably decomposed into two Debye-type and two Cole-Cole-type relaxation modes. The fastest Debye-type mode, found at 8.3 ps, was attributed to the rotational relaxation process of free water molecules in the bulk state. The other Debye-type mode, at ca. 20-34 ps, originates from the exchange process of water molecules that are hydrogen-bonded to the hydrophilic epoxy network portions for free bulk ones. The first Cole-Cole-type mode observed, at ca. 20-370 ps, was assigned to the complicated dynamics for electric dipole moments of the hydrophilic groups in the epoxy networks (mainly monomeric oxyethylene units). The slowest major Cole-Cole-type mode, at 5-29 ns, was attributed to the Maxwell-Wagner-Sillars polarization process and confirmed the presence of the nanophase-separated structures as revealed by the previous small-angle neutron scattering experiments.

  19. Electron transport properties of bis[2-(2-hydroxyphenyl)-pyridine]beryllium investigated by impedance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yanping; Chen, Jiangshan; Huang, Jinying; Ma, Dongge, E-mail: mdg1014@ciac.jl.cn, E-mail: dongls@ciac.jl.cn [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Changchun 130022 (China); Dong, Lisong, E-mail: mdg1014@ciac.jl.cn, E-mail: dongls@ciac.jl.cn [Key Laboratory of Polymer Ecomaterials, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Changchun 130022 (China); Chen, Hui [Department of Science, Shenyang University of Chemical Technology, Shenyang 110142 (China)

    2014-06-14

    The electron transport properties of bis[2-(2-hydroxyphenyl)-pyridine] beryllium (Bepp{sub 2}) are investigated by impedance spectroscopy over a frequency range of 10 Hz to 13 MHz. The Cole-Cole plots demonstrate that the Bepp{sub 2}-based device can be represented by a single parallel resistance R{sub p} and capacitance C{sub p} network with a series resistance R{sub s}. The current-voltage characteristics and the variation of R{sub p} with applied bias voltage indicate the electron conduction of space-charge-limited current with exponential trap distributions in Bepp{sub 2}. It can be seen that the electron mobility exhibits strong field-dependence in low electric field region and almost saturate in high electric field region. It is experimentally found that Bepp{sub 2} shows dispersion transport and becomes weak as the electric field increases. The activation energy is determined to be 0.043 eV by temperature-dependent conductivity, which is consistent with the result obtained from the temperature-dependent current density characteristics. The electron mobility reaches the orders of 10{sup −6}–10{sup −5} cm{sup 2} V{sup −1} s{sup −1}, depending on the electric field.

  20. Investigation on Clarified Fruit Juice Composition by Using Visible Light Micro-Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Maria Lepore

    2007-10-01

    Full Text Available Liquid samples of clarified apple and apricot juices at different productionstages were investigated using visible light micro-Raman spectroscopy in order to assessits potential in monitoring fruit juice production. As is well-known, pectin plays a strategicrole in the production of clarified juice and the possibility of using Raman for its detectionduring production was therefore evaluated. The data analysis has enabled the clearidentification of pectin. In particular, Raman spectra of apple juice samples from washedand crushed fruits revealed a peak at 845 cm-1 (typical of pectin which disappears in theRaman spectra of depectinised samples. The fructose content was also revealed by thepresence of four peaks at 823 cm-1, 872 cm-1, 918 cm-1 and 975 cm-1. In the case of apricotjuice, several Raman fingerprints of β-carotene at 1008, 1159 and 1520 cm-1 were alsohighlighted. Present results resulted interesting for the exclusive use of optical methods forthe quantitative determination of the above-mentioned substances in place of thebiochemical assays generally used for this purpose, which are time consuming and requiredifferent chemical reagents for each of them.

  1. Deamidation Reactions of Asparagine- and Glutamine-Containing Dipeptides Investigated by Ion Spectroscopy

    Science.gov (United States)

    Kempkes, Lisanne J. M.; Martens, Jonathan; Grzetic, Josipa; Berden, Giel; Oomens, Jos

    2016-11-01

    Deamidation is a major fragmentation channel upon activation by collision induced dissociation (CID) for protonated peptides containing glutamine (Gln) and asparagine (Asn) residues. Here, we investigate these NH3-loss reactions for four Asn- and Gln-containing protonated peptides in terms of the resulting product ion structures using infrared ion spectroscopy with the free electron laser FELIX. The influence of the side chain length (Asn versus Gln) and of the amino acid sequence on the deamidation reaction has been examined. Molecular structures for the product ions are determined by comparison of experimental IR spectra with spectra predicted by density functional theory (DFT). The reaction mechanisms identified for the four dipeptides AlaAsn, AsnAla, AlaGln, and GlnAla are not the same. For all four dipeptides, primary deamidation takes place from the amide side chain (and not from the N-terminus) and, in most cases, resembles the mechanisms previously identified for the protonated amino acids asparagine and glutamine. Secondary fragmentation reactions of the deamidation products have also been characterized and provide further insight in - and confirmation of - the identified mechanisms. Overall, this study provides a comprehensive molecular structure map of the deamidation chemistry of this series of dipeptides.

  2. Conductivity of solvated electrons in hexane investigated with terahertz time-domain spectroscopy.

    Science.gov (United States)

    Knoesel, Ernst; Bonn, Mischa; Shan, Jie; Wang, Feng; Heinz, Tony F

    2004-07-01

    We present investigations of the transient photoconductivity and recombination dynamics of quasifree electrons in liquid n-hexane and cyclohexane performed using terahertz time-domain spectroscopy (THz-TDS). Quasifree electrons are generated by two-photon photoionization of the liquid using a femtosecond ultraviolet pulse, and the resulting changes in the complex conductivity are probed by a THz electromagnetic pulse at a variable delay. The detection of time-domain wave forms of the THz electric field permits the direct determination of both the real and the imaginary part of the conductivity of the electrons over a wide frequency range. The change in conductivity can be described by the Drude model, thus yielding the quasifree electron density and scattering time. The electron density is found to decay on a time scale of a few hundred picoseconds, which becomes shorter with increasing excitation density. The dynamics can be described by a model that assumes nongeminate recombination between electrons and positive ions. In addition, a strong dependence of the quasifree electron density on temperature is observed, in agreement with a two-state model in which the electron may exist in either a quasifree or a bound state.

  3. Investigation of L(+)-Ascorbic Acid with Raman Spectroscopy in Visible and UV Light

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    2015-01-01

    Abstract: Raman spectroscopy investigations of l(+)-ascorbic acid and its mono- and di-deprotonated anions (AH(-) and A(2-)) are reviewed and new measurements reported with several wavelengths, 229, 244, 266, 488, and 532nm. Results are interpreted, assisted by new DFT/B3LYP quantum chemical calc......). Relatively weak preresonance enhancement was seen for A(2-) when excitation was done with 229nm UV light, allowing water bands to become observable as for normal visible light Raman spectra....... calculations with 6-311++G(d,p) basis sets for several conformations of ascorbic acid and the anions. Raman spectra were measured during titration with NaOH base in an oxygen-poor environment to avoid fluorescence when solutions were alkaline. The ultraviolet (UV) absorption band for ascorbic acid in aqueous......cm(-1). Finally, for the ascorbate di-anion, absorption was found at similar to 298.4nm with molar absorptivity of similar to 7,000 L mol(-1) cm(-1) and below similar to 220nm. With UV light (244 and 266nm), strongly basic solutions gave pronounced Raman resonance enhancement at similar to 1556cm(-1...

  4. Proton nuclear magnetic resonance spectroscopy based investigation on propylene glycol toxicosis in a Holstein cow

    Directory of Open Access Journals (Sweden)

    Raun Birgitte-Marie L

    2009-06-01

    Full Text Available Abstract Background It is unknown which metabolites are responsible for propylene glycol (PG-induced toxicosis, and a better understanding of the underlying mechanisms explaining incidences of abnormal behaviour of dairy cows fed PG is therefore needed. Methods The study included three cows of which one developed PG toxicosis. In order to investigate how the metabolism of PG differed in the cow developing toxicosis, proton nuclear magnetic resonance (NMR spectroscopy was applied on ruminal fluids and blood plasma samples obtained before and after feeding with PG. Results PG toxicosis was characterized by dyspnea and ruminal atony upon intake of concentrate containing PG. The oxygen saturation of arterial blood haemoglobin and the oxygen pressure in arterial blood decreased along with the appearance of the clinical symptoms. NMR revealed differences in plasma and ruminal content of several metabolites between the cow responding abnormally to PG and the two control cows. Conclusion It is concluded that PG-toxicosis is likely caused by pulmonary vasoconstriction, but no unusual metabolites directly related to induction of this condition could be detected in the plasma or the ruminal fluid.

  5. An Investigation of Consolidants Penetration in Wood. Part 2: FTIR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Maria Cristina TIMAR

    2011-03-01

    Full Text Available FTIR spectroscopy was used in this work for studying the penetration of some consolidants frequentlyused in old wood conservation into test pieces of sound spruce wood (Picea abies wood. Thin microsections(30-60 μm of control and treated wood were analysed in reflectance mode using an ATR system. Theconsolidation products investigated were Paraloid B72, bee wax, a mixture of bee wax / linseed oil and twotypes of paraffins. These products presented FTIR spectra with characteristic common and specific bands,allowing their identification in the treated wood with no impediments coming from their colour, transparencyor the percent of cell lumena filling. The treatment of wood with these products brought about alterations ofthe spectra aspect by the appearance or intensification of some characteristic bands and the modification ofthe ratio between the areas of some characteristic absorption bands so that a qualitative and semiquantitativeevaluation of the presence and penetration depth and distribution of these consolidationproducts in wood was possible, proving the adopted method as valuable and useful for further research inthis field.

  6. Free volume investigation of imidazolium ionic liquids from positron lifetime spectroscopy

    CERN Document Server

    Yu, Yang; Krause-Rehberg, Reinhard

    2014-01-01

    In this work, relationships between the free volume and various fundamental physical properties (density, surface tension and transport properties) of ionic liquids were investigated. Two imidazolium ionic liquids 1-butyl-3-methylimidazolium tris(pentafluoroethyl)trifluoro phosphate ([C4MIM][FAP]) and 1-butyl-3-methylimidazolium bis[bis(pentafluoroethyl)phosphinyl]imide ([C4MIM][FPI]) were measured by positron annihilation lifetime spectroscopy (PALS). Changes of the ortho-positronium lifetime (o-Ps) with different states (amorphous and crystalline) were depicted as completely as possible. The mean local free (hole) volume was calculated from the o-Ps lifetime in amorphous state for the samples. Comparison between and specific volume obtained from the temperature dependent mass density gave the specific hole densities Nf and the occupied volumes Vocc. Thermal expansion of hole volume was compared with molecular volume VM of [C4MIM][FAP] and [C4MIM][FPI] as well as five other ionic liquids from our previous ...

  7. Investigation of hyperfine interactions in DNA nitrogenous bases using perturbed angular correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Andreia dos Santos; Carbonari, Artur Wilson; Lapolli, Andre Luis; Saxena, Rajendra Narain [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Saitovitch, Henrique, E-mail: asilva@usp.br [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)

    2013-07-01

    Perturbed γγ angular correlations (PAC) spectroscopy has been used to study the DNA nitrogenous bases (adenine, cytosine, guanine, thymine), using {sup 111}In→{sup 111}Cd and {sup 111m}Cd→{sup 111}Cd probe nuclei. One of the advantages of applying PAC technique to biological molecules is that the experiments can be carried out on molecules in aqueous solution [1], approaching the function of molecules under conditions that are close to in vivo conditions. The measurements were carried out for DNA nitrogenous bases molecules at 295 K and 77 K in order to investigate dynamic and static hyperfine interactions, respectively. The interpretation of the results was based on the measurements of dynamic interaction characterized by the decay constant from which valuable information on the macroscopic behavior of the molecules was obtained [2; 3]. On the other hand, PAC measurements at low temperature showed interaction frequency (ν{sub Q}), asymmetry parameter (η) and the distribution of the quadrupole frequency (δ). These parameters provide a local microscopic description of the chemical environment in the neighborhood of the probe nuclei. Results showed differences in the hyperfine interactions of probe nuclei bound to the studied biomolecules. Such differences were observed by variations in the hyperfine parameters, which depended on the type of biomolecule and the results also showed that the probe nuclei bounded at the molecules in some cases and at others did not. (author)

  8. Influence of Zn and Pb on Rhizopogon roseolus mycelium - energy dispersion spectroscopy and cytochemical investigation

    Directory of Open Access Journals (Sweden)

    Katarzyna Turnau

    2014-01-01

    Full Text Available Mycelium isolated from fruitbodies of Rhizopogon roseolus, collected from calamine wastes in Poland, was cultivated on agar media supplemented with Zn or Pb salts. The stimulation of exudate production by the aerial mycelium and the mycelium growing on the surface of the media, accompanied by the change of mycelium pigmentation, was found as a result of Zn application. The presence of Pb resulted mainly in the stimulation of crystalloid production on the surface of mycelium, in direct contact with the medium. Exudate droplets formed on the surface of mycelium cultivated on media with and without the Zn addition, were investigated by means of cytochemical tests (PATAg and Gomori-Swift reaction. In the control media most droplets gave a diffused, positive reaction to both tests. In media supplemented with Zn salts, besides the droplet-like material described in the control also another kind of exudate was observed. It was characterized by the collar showing apositive Gomori-Swift reaction, while the rest of the exudate had an oily appearance and gave a faint or no reaction to both tests. Comparative research by means of scanning electron microscopy accompanied by energy dispersion spectroscopy, was carried out showing the differences in exudate and in mycelia composition as a result of the Zn and Pb presence in the medium.

  9. Investigation of rat breast tumour oxygen consumption by near-infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Song Yulin [Joint Graduate Program in Biomedical Engineering, University of Texas at Arlington/University of Texas Southwestern Medical Center at Dallas, Arlington, TX 76019 (United States); Kim, Jae G [Joint Graduate Program in Biomedical Engineering, University of Texas at Arlington/University of Texas Southwestern Medical Center at Dallas, Arlington, TX 76019 (United States); Mason, Ralph P [Advanced Radiological Sciences, Department of Radiology, University of Texas Southwestern Medical Center at Dallas, Dallas, TX 75390 (United States); Liu, Hanli [Joint Graduate Program in Biomedical Engineering, University of Texas at Arlington/University of Texas Southwestern Medical Center at Dallas, Arlington, TX 76019 (United States)

    2005-08-07

    This study develops a mathematical model for calculating the tumour oxygen consumption rate and investigates the correlation with tumour volume. Near-infrared spectroscopy (NIRS) was used to measure changes of oxygenated haemoglobin concentration ({delta}[HbO{sub 2}]) before and after potassium chloride (KCl) induced cardiac arrest. Measurements were made in five 13762NF mammary adenocarcinomas implanted in female adult Fisher 344 rats, while the anaesthetized rats breathed air. After 5-10 min of baseline NIRS measurement, KCl overdose was administered intravenously in the tail. NIRS showed a significant drop in tumour vascular oxygenation immediately following KCl induced cardiac arrest. The tumour oxygen consumption rate was calculated by fitting the model to the measured {delta}[HbO{sub 2}] data, and a relationship between the tumour oxygen consumption rate and tumour volume was analysed using linear regression. A strong negative linear relationship was found between the mean tumour oxygen consumption rate and tumour volume. This study demonstrates that the NIRS can provide an efficient and real-time approach to quantify tumour oxygen consumption rate, while further development is required to make it non-invasive.

  10. [Investigation of the interaction between DNA and cobalt ferrite nanoparticles by FTIR spectroscopy].

    Science.gov (United States)

    Pershina, A G; Sazonov, A E; Ogorodova, L M

    2009-01-01

    The interaction of DNA with nanoparticles of cobalt ferrite powder prepared by the mechano-chemical method was studied. It was shown that CoFe(2)O(4) nanoparticles efficiently bind DNA in aqueous solutions (Tris-HCl), forming a bionanocomposite. The adsorption capacity of CoFe(2)O(4) nanoparticles for DNA was evaluated to be 5.25 x 10(-3) mol/m(2). The desorption of DNA from the surface of the particles was analyzed while changing the pH, the ionic strength, and the chemical content of the medium. The DNA-CoFe(2)O(4) nanocomposite was investigated by FTIR spectroscopy. The block of the data allowed one to consider the mechanism of the interaction between a polynucleotide and CoFe(2)O(4) nanoparticles and to make the assumption that the binding occurred due to the coordination interaction of the phosphate groups and heterocyclic bases of DNA (oxygen atoms of thymine and guanine) with metal ions on the particle surface. The analysis of the IR spectra showed that binding can lead to the partial destabilization of the DNA structure, with the B conformation of a polynucleotide being preserved.

  11. Raman spectroscopy based investigation of molecular changes associated with an early stage of dengue virus infection

    Science.gov (United States)

    Bilal, Maria; Bilal, Muhammad; Saleem, Muhammad; Khurram, Muhammad; Khan, Saranjam; Ullah, Rahat; Ali, Hina; Ahmed, Mushtaq; Shahzada, Shaista; Ullah Khan, Ehsan

    2017-04-01

    Raman spectroscopy based investigations of the molecular changes associated with an early stage of dengue virus infection (DENV) using a partial least squares (PLS) regression model is presented. This study is based on non-structural protein 1 (NS1) which appears after three days of DENV infection. In total, 39 blood sera samples were collected and divided into two groups. The control group contained samples which were the negative for NS1 and antibodies and the positive group contained those samples in which NS1 is positive and antibodies were negative. Out of 39 samples, 29 Raman spectra were used for the model development while the remaining 10 were kept hidden for blind testing of the model. PLS regression yielded a vector of regression coefficients as a function of Raman shift, which were analyzed. Cytokines in the region 775–875 cm‑1, lectins at 1003, 1238, 1340, 1449 and 1672 cm‑1, DNA in the region 1040–1140 cm‑1 and alpha and beta structures of proteins in the region 933–967 cm‑1 have been identified in the regression vector for their role in an early stage of DENV infection. Validity of the model was established by its R-square value of 0.891. Sensitivity, specificity and accuracy were 100% each and the area under the receiver operator characteristic curve was found to be 1.

  12. Investigation of thermostability of Mo6S3I6 nanowires using Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Todorović Jelena M.

    2009-01-01

    Full Text Available The thermostability (phase stability of Mo6S3I6 nanowires was investigated by Raman spectroscopy, varying the incident laser power (1-9 mW or by gradual heating of the sample from room temperature to 600°C. We have noticed 18 Raman modes in the room temperature Raman spectra, which is in good agreement with the factor group analysis prediction for P1 space group. We confirmed that the vibrations of Mo6S8 clusters dominate in vibrational properties of the Mo6S3I6 nanostructure, since nanowires Raman spectra are similar to Chevrel phase Raman spectra. During the temperature treatment, it was established that in the temperature range between 300 and 400°C a new Raman mode appeares. This mode can be ascribed to molybdenum oxide (MoO3. With further temperature increase, the intensity of this mode increases, drawing a conclusion that at temperature above 300°C the phase separation takes place in this system followed by a formation of oxide layer.

  13. Water-ionomer interfacial interactions investigated by infrared spectroscopy and computational methods.

    Science.gov (United States)

    Liu, Shu; Aquino, Adelia J A; Korzeniewski, Carol

    2013-11-12

    Structures for interfacial water condensed in pores and channels of the fluorinated ionomer Nafion from low relative humidity atmosphere were probed through the use of Fourier transform infrared (FTIR) spectroscopy and support from classical and quantum chemical calculations. Modern FTIR spectra of H2O and the O-H stretching region for the deuterium-substituted HOD species interacting at the water-ionomer interface in Nafion exchanged by sodium cations are reported and compared to characteristics observed in the earlier studies that employed a dispersive infrared spectrometer and unspecified spectral resolution. Molecular simulations that examine the orientations of water molecules in the vicinity of ionomer were applied to understand the appearance of multiple free O-H stretching bands and the effect of HOD addition. One computational approach was based on a classical force field model, and the other employed density functional theory (DFT) to investigate atomic-scale interactions of water with regions of different hydrophobicity and charge on a perfluorosulfonate ionomer segment. The results suggest hydrogen bonding stabilizes the types of water-ionomer environments that can lead to multiple free O-H stretching vibrational features in experimental spectra. The studies shed light on the structure of H2O at interfaces inside ion conducting membrane materials and have potential for application in elucidating structure at different types of water interfaces.

  14. Investigations into Soil Composition and Texture Using Infrared Spectroscopy (2–14 μm

    Directory of Open Access Journals (Sweden)

    Robert D. Hewson

    2012-01-01

    Full Text Available The ability of thermal and shortwave infrared spectroscopy to characterise composition and texture was evaluated using both particle size separated soil samples and natural soils. Particle size analysis and separation into clay, silt, and sand-sized soil fractions was undertaken to examine possible relationships between quartz and clay mineral spectral signatures and soil texture. Spectral indices, based on thermal infrared specular and volume scattering features, were found to discriminate clay mineral-rich soil from mostly coarser quartz-rich sandy soil and to a lesser extent from the silty quartz-rich soil. Further investigations were undertaken using spectra and information on 51 USDA and other soils within the ASTER spectral library to test the application of shortwave, mid- and thermal infrared spectral indices for the derivation of clay mineral, quartz, and organic carbon content. A nonlinear correlation between quartz content and a TIR spectral index based on the 8.62 μm was observed. Preliminary efforts at deriving a spectral index for the soil organic carbon content, based on 3.4–3.5 μm fundamental H–C stretching vibration bands, were also undertaken with limited results.

  15. Multiwavelength UV/visible spectroscopy for the quantitative investigation of platelet quality

    Science.gov (United States)

    Mattley, Yvette D.; Leparc, German F.; Potter, Robert L.; Garcia-Rubio, Luis H.

    1998-04-01

    The quality of platelets transfused is vital to the effectiveness of the transfusion. Freshly prepared, discoid platelets are the most effective treatment for preventing spontaneous hemorrhage or for stopping an abnormal bleeding event. Current methodology for the routine testing of platelet quality involves random pH testing of platelet rich plasma and visual inspection of platelet rich plasma for a swirling pattern indicative of the discoid shape of the cells. The drawback to these methods is that they do not provide a quantitative and objective assay for platelet functionality that can be used on each platelet unit prior to transfusion. As part of a larger project aimed at characterizing whole blood and blood components with multiwavelength UV/vis spectroscopy, isolated platelets and platelet in platelet rich plasma have been investigated. Models based on Mie theory have been developed which allow for the extraction of quantitative information on platelet size, number and quality from multi-wavelength UV/vis spectra. These models have been used to quantify changes in platelet rich plasma during storage. The overall goal of this work is to develop a simple, rapid quantitative assay for platelet quality that can be used prior to platelet transfusion to ensure the effectiveness of the treatment. As a result of this work, the optical properties for isolated platelets, platelet rich plasma and leukodepleted platelet rich plasma have been determined.

  16. Phase transitions of amorphous solid acetone in confined geometry investigated by reflection absorption infrared spectroscopy.

    Science.gov (United States)

    Shin, Sunghwan; Kang, Hani; Kim, Jun Soo; Kang, Heon

    2014-11-26

    We investigated the phase transformations of amorphous solid acetone under confined geometry by preparing acetone films trapped in amorphous solid water (ASW) or CCl4. Reflection absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) were used to monitor the phase changes of the acetone sample with increasing temperature. An acetone film trapped in ASW shows an abrupt change in the RAIRS features of the acetone vibrational bands during heating from 80 to 100 K, which indicates the transformation of amorphous solid acetone to a molecularly aligned crystalline phase. Further heating of the sample to 140 K produces an isotropic solid phase, and eventually a fluid phase near 157 K, at which the acetone sample is probably trapped in a pressurized, superheated condition inside the ASW matrix. Inside a CCl4 matrix, amorphous solid acetone crystallizes into a different, isotropic structure at ca. 90 K. We propose that the molecularly aligned crystalline phase formed in ASW is created by heterogeneous nucleation at the acetone-water interface, with resultant crystal growth, whereas the isotropic crystalline phase in CCl4 is formed by homogeneous crystal growth starting from the bulk region of the acetone sample.

  17. Investigating the position isomerism effect of dihydroxybenzoic acid compounds by terahertz time-domain spectroscopy

    Science.gov (United States)

    Du, Yong; Hao, Guohui; Zhao, Rongjiao; Hong, Zhi

    2012-03-01

    Far-infrared vibrational absorption of a series of dihydroxybenzoic acid (DHBA) compounds with different substituted hydroxy group at different positions have been investigated using terahertz time-domain spectroscopy (THz-TDS) at room temperature. The experimental results show large difference among absorption spectra of different DHBA (2,3-DHBA, 2,4-DHBA, 2,5-DHBA, 2,6-DHBA) compounds in 0.2 ~ 2.0 THz region, which probably originated from the difference of intra-molecular and inter-molecular hydrogen bonds due to the presence of two hydroxyl group in different positions with respect to the carboxylic group in different DHBAs. All the experimental DHBAs vibrational modes showed distinct fingerprint absorption in THz region and theorectical calculation based on density functional theory (DFT) was carried out to assist the analysis and assignment of the vibrational modes. The results indicate that THz-TDS technology can not only give a new experimental method to identify and characterize the position isomerism effect of hydroxyl group between such different kinds of DHBAs from molecule-level, but also provide a useful suggestion for further assessing the possible relationships between the DHBAs vibrational properties and the effects of the substituted hydroxy group position to better know their biochemical activities in food, pharmaceutical and cosmetic fields.

  18. Investigation of Oxidative Degradation in Polymers Using (17)O NMR Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Alam, Todd M.; Celina, Mathew; Assink, Roger A.; Clough, Roger L.; Gillen, Kenneth T.; Wheeler David R.

    1999-07-20

    The thermal oxidation of pentacontane (C{sub 50}H{sub 102}), and of the homopolymer polyisoprene, has been investigated using {sup 17}O NMR spectroscopy. By performing the oxidation using {sup 17}O labeled O{sub 2} gas, it is possible to easily identify degradation products, even at relatively low concentrations. It is demonstrated that details of the degradation mechanism can be obtained from analysis of the {sup 17}O NMR spectra as a function of total oxidation. Pentacontane reveals the widest variety of reaction products, and exhibits changes in the relative product distributions with increasing O{sub 2} consumption. At low levels of oxygen incorporation, peroxides are the major oxidation product, while at later stages of degradation these species are replaced by increasing concentrations of ketones, alcohols, carboxylic acids and esters. Analyzing the product distribution can help in identification of the different free-radical decomposition pathways of hydroperoxides, including recombination, proton abstraction and chain scission, as well as secondary reactions. The {sup 17}O NMR spectra of thermally oxidized polyisoprene reveal fewer degradation functionalities, but exhibit an increased complexity in the type of observed degradation species due to structural features such as unsaturation and methyl branching. Alcohols and ethers formed from hydrogen abstraction and free radical termination.

  19. Investigation of LaBr3:Ce probe for gamma-ray spectroscopy and dosimetry

    Science.gov (United States)

    Maghraby, Ahmed M.; Alzimami, K. S.; Alkhorayef, M. A.; Alsafi, K. G.; Ma, A.; Alfuraih, A. A.; Alghamdi, A. A.; Spyrou, N. M.

    2014-02-01

    The main thrust of this work is the investigation of performance of relatively new commercial LaBr3:Ce probe (Inspector 1000™ with LaBr3:Ce crystal) for gamma-ray spectroscopy and dosimetry measurements in comparison to LaCl3:Ce and NaI:Tl scintillators. The crystals were irradiated by a wide range of energies (57Co, 22Na, 18F, 137Cs and 60Co). The study involved recording of detected spectra and measurement of energy resolution, photopeak efficiency, internal radioactivity measurements as well as dose rate. The Monte Carlo package, Geant4 Application for Tomographic Emission (GATE) was used to validate the experiments. Overall results showed very good agreement between the measurements and the simulations. The LaBr3:Ce crystal has excellent energy resolution, energy resolutions of (3.37±0.05)% and (2.98±0.07)% for a 137Cs 662 keV and a 60Co 1332 keV gamma-ray point sources respectively, were recorded. The disadvantage of the lanthanum halide scintillators is their internal radioactivity. Inspector 1000™ with LaBr3:Ce scintillator has shown an accurate and quick dose measurements at Positron Emission Tomography (PET) Units which allows accurate assessment of the radiation dose received by staff members compared to the use of electronic personal dosimeters (EPD).

  20. In-situ Investigation of BBr_3/benzene Solution by Fourier Transformation Infrared Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    YU Li-li; GAI Li-gang; CUI De-Hang; WANG Qi-long

    2009-01-01

    By means of the in-situ Fourier transformation infrared spectroscopy(FTIR), the properties of BBr_3/ benzene solution, which is usually used as the reactant and solution to synthesize BN by benzene-thermal method, have been investigated. The results show that there are some side reactions between BBr_3 and benzene: (1) BBr_3 as an electron-deficient molecule reacts with benzene at room temperature; (2) below 100℃, substitution of Br atom for H atom of benzene(ring-H) dominates in BBr_3/benzene solution; (3) cracking of benzene ring occurs at a temperature above 100℃; (4) decomposition of benzene molecules and formation of long-chain aliphatic compounds feature the spectra of BBr_3/benzene solution collected at above 160℃. They are unfavor for BN to form when BBr_3 is excessive in the synthesis of BN by benzene-thermal route. On the basis of the experimental results, a coordination reaction mechanism via a η~2-C_6H_6 binding mode in BBr_3/benzene solution is suggested.

  1. Investigating the mechanical properties of zona pellucida of whole human oocytes by atomic force spectroscopy.

    Science.gov (United States)

    Andolfi, Laura; Masiero, Elena; Giolo, Elena; Martinelli, Monica; Luppi, Stefania; Dal Zilio, Simone; Delfino, Ines; Bortul, Roberta; Zweyer, Marina; Ricci, Giuseppe; Lazzarino, Marco

    2016-08-08

    The role of mechanics in numerous biological processes is nowadays recognized, while in others, such as the fertilization process, it is still neglected. In the case of oocytes the description of their mechanical properties could improve the comprehension of the oocyte-spermatozoon interaction and be helpful for application in in vitro fertilization (IVF) clinics. Herein the mechanical properties of whole human oocytes (HOs) immediately after retrieval are investigated by indentation measurements with atomic force spectroscopy under physiological conditions. Measurements are performed on immature (metaphase I - MI) and mature (metaphase II - MII) HOs. According to their morphological characteristics MII-HOs are classified as "suitable" and "rejected"; these latter would be usually rejected for intracytoplasmic sperm injection (ICSI). For all maturation stages we observe that the elastic response of the zona pellucida (ZP) outer layer was different and distinguishable from the rest of the ZP-HO. The elasticity of this ZP outer layer varies with maturation and quality: stiffness decreases from immature MI to good quality MII, up to poor-quality rejected MII. An indirect analysis with IVF outcome indicates that the ZP outer layer of analysed HOs donated by women who achieved pregnancy is stiffer than that of HOs from women with negative outcome. Our findings suggest that mechanical properties can represent important oocyte quality indicators that may be exploited for the design of innovative ICSI dedicated cell sorters.

  2. Investigation of the built-in voltage in organic pin solar cells using electroabsorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Siebert-Henze, Ellen; Tress, Wolfgang; Lyssenko, Vadim G.; Hintschich, Susanne I.; Leo, Karl; Riede, Moritz [Institut fuer Angewandte Photophysik, Dresden (Germany)

    2011-07-01

    The built-in voltage of small molecule organic solar cells based on the pin concept is investigated. We use the method of electroabsorption spectroscopy whose principle is the detection of absorption changes due to electrical excitation (Stark effect). A voltage consisting of a DC and an AC part is applied to the sample and the change in absorption is detected using a lock-in amplifier. The variation of the applied DC voltage modifies the DC field across the sample leading to a linear change of the corresponding Stark signal. This supplies information about the built-in voltage of the device which is determined for different combinations of donor materials and hole transport materials (MeO-TPD, BPAPF, alpha-NPD, and ZnPc). In addition, the doping concentration of the hole transport layer is modified and the influence of the consequential change of the work function on the built-in voltage is examined. It is shown that both the short-circuit current as well as the fill factor increase for larger built-in voltages.

  3. Investigation of defects in organic semiconductors by charge based deep level transient spectroscopy (Q-DLTS)

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, T.P.; Renaud, C.; Rendu, P. le [Institut des Materiaux Jean Rouxel, Universite de Nantes, CNRS, Nantes (France); Yang, S.H. [Department of Applied Chemistry, National Chiao Tung University, Hsinchu (China)

    2009-08-15

    We report the results of measurements of traps in light emitting devices using a new derivative of poly(phenylene vinylene) (PPV) as an active material by the charge based deep level transient spectroscopy (Q-DLTS) technique. Diodes of structure Indium Tin Oxide (ITO)/PEDOT:PSS/poly(2-ethylhexyl)surfanyl-5-methoxy phenylene vinylene (MEH-S-PPV)/M with M=Al and M=Ca/Al were investigated by measurements of current-voltage-luminance characteristics. From analysis of these characteristics, evidence of charge trapping in devices was demonstrated. The trap parameters were then determined from Q-DLTS measurements, which were carried out on the samples as a function of the charging time, the applied voltage and the temperature. Five trap levels of activation energy in the range [0.3-0.6 eV] and of density of order of 10{sup 17} cm{sup -3} were identified in diodes with Ca/Al cathode. Electron (one level) and hole (four levels) traps were then clearly distinguished by performing measurements in hole-only devices. Trapping processes are discussed and tentatively proposed to performance of the light emitting diodes studied. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Investigation of deep level transient spectroscopy (DLTS) of dopant ZnO-based varistors

    Energy Technology Data Exchange (ETDEWEB)

    Ammar, A.H. [Thin Film Laboratory, Physics Department, Faculty of Education, Ain Shams University, Roxy, Cairo 11757 (Egypt); Farag, A.A.M., E-mail: alaafaragg@yahoo.co [Thin Film Laboratory, Physics Department, Faculty of Education, Ain Shams University, Roxy, Cairo 11757 (Egypt)

    2010-03-15

    This work shows that the use of conventional analytical procedures to investigate the deep centers from the deep levels transient spectroscopy (DLTS) for ZnO varistors doped with single, double and ternary dopants of Bi{sub 2}O{sub 3}, CoO and MnO{sub 2}. This is to clarify the effect of these doping atoms on the conductivity of ZnO varistors. The results showed that the doping with Bi{sub 2}O{sub 3} +CoO leads to a decrease in the conductivity while doping with Bi{sub 2}O{sub 3}+MnO{sub 2} increased the conductivity and the three dopants together showed a compensating effect. The DLTS characterizing parameters such as minority-carrier capture cross-section, sigma, effective density of states in the minority-carrier band, N{sub D}, energy separation between the trap level and the minority-carrier band, DELTAE{sub t} and electron trap density, N{sub t} for each doped varistor were also calculated.

  5. Investigations of the potential functions of weakly bound diatomic molecules and laser-assisted excitive Penning ionization

    Energy Technology Data Exchange (ETDEWEB)

    Goble, J.H. Jr.

    1982-05-01

    Three variations on the Dunham series expansion function of the potential of a diatomic molecule are compared. The differences among these expansions lie in the choice of the expansion variable, lambda. The functional form of these variables are lambda/sub s/ = l-r/sub e//r for the Simon-Parr-Finlan version, lambda/sub T/ - 1-(r/sub e//r)/sup p/ for that of Thakkar, and lambda/sub H/ = 1-exp(-rho(r/r/sub e/-1) for that of Huffaker. A wide selection of molecular systems are examined. It is found that, for potentials in excess of thirty kcal/mole, the Huffaker expansion provides the best description of the three, extrapolating at large internuclear separation to a value within 10% of the true dissociation energy. For potentials that result from the interaction of excited states, all series expansions show poor behavior away from the equilibrium internuclear separation of the molecule. The series representation of the potentials of weakly bound molecules are examined in more detail. The ground states of BeAr/sup +/, HeNe/sup +/, NaAr, and Ar/sub 2/ and the excited states of HeNe+, NaNe, and NaAr are best described by the Thakkar expansion. Finally, the observation of laser-assisted excitive Penning ionization in a flowing afterglow is reported. The reaction Ar(/sup 3/P/sub 2/) + Ca + h nu ..-->.. Ar + Ca/sup +/(5p /sup 2/P/sub J/) + e/sup -/ occurs when the photon energy, h nu, is approximately equal to the energy difference between the metastable argon and one of the fine structure levels of the ion's doublet. By monitoring the cascade fluorescence of the above reaction and comparing it to the flourescence from the field-free process Ar(/sup 3/P/sub 2/) + Ca ..-->.. Ar + Ca/sup +/(4p /sup 2/P/sub J/) + e/sup -/ a surprisingly large cross section of 6.7 x 10/sup 3/ A/sup 2/ is estimated.

  6. Remote Raman - laser induced breakdown spectroscopy (LIBS) geochemical investigation under Venus atmospheric conditions

    Energy Technology Data Exchange (ETDEWEB)

    Clegg, Sanuel M [Los Alamos National Laboratory; Barefield, James E [Los Alamos National Laboratory; Humphries, Seth D [Los Alamos National Laboratory; Wiens, Roger C [Los Alamos National Laboratory; Vaniman, D. T. [Los Alamos National Laboratory; Sharma, S. K. [UNIV OF HAWAII; Misra, A. K. [UNIV OF HAWAII; Dyar, M. D. [MT. HOLYOKE COLLEGE; Smrekar, S. E. [JET PROPULSION LAB.

    2010-12-13

    The extreme Venus surface temperatures ({approx}740 K) and atmospheric pressures ({approx}93 atm) create a challenging environment for surface missions. Scientific investigations capable of Venus geochemical observations must be completed within hours of landing before the lander will be overcome by the harsh atmosphere. A combined remote Raman - LIBS (Laser Induced Breakdown Spectroscopy) instrument is capable of accomplishing the geochemical science goals without the risks associated with collecting samples and bringing them into the lander. Wiens et al. and Sharma et al. demonstrated that both analytical techniques can be integrated into a single instrument capable of planetary missions. The focus of this paper is to explore the capability to probe geologic samples with Raman - LIBS and demonstrate quantitative analysis under Venus surface conditions. Raman and LIBS are highly complementary analytical techniques capable of detecting both the mineralogical and geochemical composition of Venus surface materials. These techniques have the potential to profoundly increase our knowledge of the Venus surface composition, which is currently limited to geochemical data from Soviet Venera and VEGA landers that collectively suggest a surface composition that is primarily tholeiitic basaltic with some potentially more evolved compositions and, in some locations, K-rich trachyandesite. These landers were not equipped to probe the surface mineralogy as can be accomplished with Raman spectroscopy. Based on the observed compositional differences and recognizing the imprecise nature of the existing data, 15 samples were chosen to constitute a Venus-analog suite for this study, including five basalts, two each of andesites, dacites, and sulfates, and single samples of a foidite, trachyandesite, rhyolite, and basaltic trachyandesite under Venus conditions. LIBS data reduction involved generating a partial least squares (PLS) model with a subset of the rock powder standards to

  7. Nitrogen Molecule-Dimethyl Sulfide Complex Investigated by Fourier Transform Microwave Spectroscopy and AB Initio Calculation

    Science.gov (United States)

    Kawashima, Yoshiyuki; Iwano, Sakae; Hirota, Eizi

    2016-06-01

    This paper presents an extension of the preceding talk on the FTMW spectroscopy of N_2-ES (ethylene sulfide), namely the results on N_2-DMS (dimethyl sulfide). We have previously investigated two N_2 complexes: N_2-DME (dimethyl ether), for which we reported a prelimanary result, and N_2-EO (ethylene oxide). We have observed the ground-state rotational spectrum of the N_2-DMS complex, i.e. c-type transitions in the frequency region from 5 to 24 GHz, which we assigned to the normal, 15N_2-DMS, and 15NN-DMS species of the N_2-DMS. We have found both the ortho and para states for the 14N_2-DMS and 15N_2-DMS species. In the case of the 15N_2-DMS, some transitions with Ka = 2 and 3 were observed slightly split by the internal rotation of the two methyl tops of the DMS. The observed spectra of the 15N_2-DMS were analyzed by using the XIAM program. In the case of the para state of the 15N_2-DMS, three rotational and five centrifugal distortion constants with the V3 barrier to the methyl group internal rotation, whereas, in the case of the ortho state of the 15N_2-DMS, two more centrifugal distortion constants, ΦJK and ΦKJ, were needed to reproduce the observed spectra. For the N_2-DMS complex, we concluded that the N_2 moiety was located in a plane perpendicular to the C-S-C plane and bisecting the CSC angle of the DMS. We have carried out ab initio molecular orbital calculations at the level of MP2 with basis sets 6-311++G(d, p), aug-cc-pVDZ, and aug-cc-pVTZ, to complement the information on the intracomplex motions obtained from the observed rotational spectra. We have applied a natural bond orbital (NBO) analysis to the N_2-DMS and N_2-ES to calculate the stabilization energy CT (=Δ Eσσ*), which was closely correlated with the binding energy EB, as found for other related complexes. Y. Kawashima, Y. Tatamitani, Y. Morita, and E. Hirota, 61st International Symposium on Molecular Spectroscopy, TE10 (2006) Y. Kawashima and E. Hirota, J. Phys. Chem. A 2013 117, 13855

  8. INVESTIGATION OF CEMENT CONCRETE CONGLOMERATE SOLIDIFICATION PROCESS BY IMPEDANCE SPECTROSCOPY METHOD

    Directory of Open Access Journals (Sweden)

    S. N. Bandarenka

    2015-01-01

    Full Text Available One of the most prospective directions in preservation  and increase of service live of  road pavements is a construction of  automobile roads with cement concrete surface. Modern tendencies for provision of road construction quality presuppose a necessity to control processes of solidification and subsequent destruction of the material while forming and using cement concrete conglomerate being considered as a basic element of the road surface.  Multiyear practical experience of  automobile road operation using cement concrete pavements reveals an importance for monitoring  such processes as formation and destruction of cement concrete materials. An impedance spectroscopy method has been tried out and proposed as a tool for solution of the given problem.Experimental samples of cement concrete have been prepared for execution of tests, graded silica sand and granite chippings with particle size from 0.63 to 2.5 mm have been used as a fine aggregate in the samples. Dependencies of resistance (impedance on AC-current frequency  have been studied for samples of various nature and granulometric composition. The Gamry  G300 potentiostat has been used for measurement of complex impedance value. A spectrum analysis and calculation of equivalent circuit parameters calculation have been carried out while using EIS Spectrum Analyzer program.Comparison of impedance spectra for the prepared cement concrete samples have made it possible to reveal tendencies in changing spectrum parameters during solidification and subsequent contact with moisture in respect of every type of the sample. An equivalent electrical circuit has been developed that  characterizes physical and chemical processes which are accompanied by charge transfer in cement concrete conglomerate. The paper demonstrates a possibility to use an impedance spectroscopy for solution of a number of actual problems in the field of cement concrete technology problems. Particularly, the problems

  9. Spatial metabolic fingerprinting using FT-IR spectroscopy: investigating abiotic stresses on Micrasterias hardyi.

    Science.gov (United States)

    Patel, Soyab A; Currie, Felicity; Thakker, Nalin; Goodacre, Royston

    2008-12-01

    The release of active pharmaceutical ingredients (APIs) into the environment is an ecologically important topic for study because, whilst APIs have been designed to have a wide range of biological properties for the target of interest (usually in man), little information on potential ecological risks is currently available regarding their effects on the organisms that inhabit the environment. In this study, the algae Micrasterias hardyi was exposed to propranolol, metoprolol (beta-adrenergic receptor agonist drugs) and mefenamic acid (a non steroidal anti-inflammatory drug), at concentrations ranging between 0.002-0.2 mM. Initial studies showed that Fourier transform infrared (FT-IR) spectroscopy on algal homogenates illustrated that all three APIs had a quantitative effect on the metabolism of the organisms and it was possible to estimate the level of API exposure from the FT-IR metabolic fingerprints using partial least squares (PLS) regression. From the inspection of the PLS loadings matrices it was possible to elucidate that all drugs caused effects on protein and lipid levels. Most strikingly propranolol had significant effects on the lipid components of the cell. These were dramatically reduced possibly as a consequence of loss of membrane integrity. In order to investigate this further, FT-IR microspectroscopy was used to generate detailed metabolic fingerprinting maps. These chemical maps revealed that all the drugs had a dramatic effect on the distribution of various chemical species throughout the algae, and that all drugs had an affect on protein and lipid levels. In particular, as noted in the PLS analyses for propranolol treated cells, the lipid complement found in the lipid storage areas in the processes of M. hardyi was greatly reduced. This illustrates the power of spatial metabolic fingerprinting for investigating abiotic stresses on complex biological species.

  10. Investigation of stratigraphic mapping in paintings using micro-Raman spectroscopy

    Science.gov (United States)

    Karagiannis, Georgios Th.; Apostolidis, Georgios K.

    2016-04-01

    In this work, microRaman spectroscopy is used to investigate the stratigraphic mapping in paintings. The objective of mapping imaging is to segment the dataset, here spectra, into clusters each of which consisting spectra that have similar characteristics; hence, similar chemical composition. The spatial distribution of such clusters can be illustrated in pseudocolor images, in which each pixel of image is colored according to its cluster membership. Such mapping images convey information about the spatial distribution of the chemical substances in an object. Moreover, the laser light source that is used has excitation in 1064 nm, i.e., near infrared (NIR), allowing the penetration of the radiation in deeper layers. Thus, the mapping images that are produced by clustering the acquired spectra (specifying specific bands of Raman shifts) can provide stratigraphic information in the mapping images, i.e., images that convey information of the distribution of substances from deeper, as well. To cluster the spectra, unsupervised machine learning algorithms are applied, e.g., hierarchical clustering. Furthermore, the optical microscopy camera (×50), where the Raman probe (B and WTek iRaman EX) is plugged in, is attached to a computerized numerical control (CNC) system which is driven by a software that is specially developed for Raman mapping. This software except for the conventional CNC operation allows the user to parameterize the spectrometer and check each and every measurement to ensure proper acquisition. This facility is important in painting investigation because some materials are vulnerable to such specific parameterization that other materials demand. The technique is tested on a portable experimental overpainted icon of a known stratigraphy. Specifically, the under icon, i.e., the wavy hair of "Saint James", can be separated from upper icon, i.e., the halo of Mother of God in the "Descent of the Cross".

  11. Symposium on atomic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    1979-01-01

    Topics covered by the conference include: fast beam spectroscopy; astrophysical and other spectra; highly ionized spectroscopy; complex spectra; rydberg levels; fine structure, hyperfine structure and isotope shift; lineshapes; lifetimes, oscillator strengths and Einstein coefficients; and spectroscopy with lasers. Abstracts of the conference papers are presented. (GHT)

  12. Identification of alkylated phosphates by gas chromatography-mass spectrometric investigations with different ionization principles of a thermally aged commercial lithium ion battery electrolyte.

    Science.gov (United States)

    Weber, Waldemar; Kraft, Vadim; Grützke, Martin; Wagner, Ralf; Winter, Martin; Nowak, Sascha

    2015-05-15

    The thermal aging process of a commercial LiPF6 based lithium ion battery electrolyte has been investigated in view of the formation of volatile phosphorus-containing degradation products. Aging products were analyzed by GC-MS. Structure determination of the products was performed by support of chemical ionization MS in positive and negative modes. A fraction of the discovered compounds belongs to the group of fluorophosphates (phosphorofluoridates) which are in suspect of potential toxicity. This is well known for relative derivatives, e.g. diisopropyl fluorophosphate. Another fraction of the identified compounds belongs to the group of trialkyl phosphates. These compounds may provide a positive impact on the thermal and electrochemical performance of Li-based batteries as repeatedly described in the literature.

  13. Vibrations of the S{sub 1} state of fluorobenzene-h{sub 5} and fluorobenzene-d{sub 5} via resonance-enhanced multiphoton ionization (REMPI) spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Joe P.; Andrejeva, Anna; Tuttle, William D.; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom); Pugliesi, Igor; Schriever, Christian [Lehrstuhl für BioMolekulare Optik, Ludwig-Maximilians-Universität München, Oettingenstr. 67, 80538 München (Germany)

    2014-12-28

    We report resonance-enhanced multiphoton ionization spectra of the isotopologues fluorobenzene-h{sub 5} and fluorobenzene-d{sub 5}. By making use of quantum chemical calculations, the changes in the wavenumber of the vibrational modes upon deuteration are examined. Additionally, the mixing of vibrational modes both between isotopologues and also between the two electronic states is discussed. The isotopic shifts lead to dramatic changes in the appearance of the spectrum as vibrations shift in and out of Fermi resonance. Assignments of the majority of the fluorobenzene-d{sub 5} observed bands are provided, aided by previous results on fluorobenzene-h{sub 5}.

  14. Investigating ion recombination effects in a liquid-filled ionization chamber array used for IMRT QA measurements.

    Science.gov (United States)

    Knill, Cory; Snyder, Michael; Rakowski, Joseph T; Zhuang, Ling; Matuszak, Martha; Burmeister, Jay

    2016-05-01

    PTW's Octavius 1000 SRS array performs IMRT quality assurance (QA) measurements with liquid-filled ionization chambers (LICs) to allow closer detector spacing and higher resolution, compared to air-filled QA devices. However, reduced ion mobility in LICs relative to air leads to increased ion recombination effects and reduced collection efficiencies that are dependent on Linac pulse frequency and pulse dose. These pulse parameters are variable during an IMRT delivery, which affects QA results. In this study, (1) 1000 SRS collection efficiencies were measured as a function of pulse frequency and pulse dose, (2) two methods were developed to correct changes in collection efficiencies during IMRT QA measurements, and the effects of these corrections on QA pass rates were compared. To obtain collection efficiencies, the OCTAVIUS 1000 SRS was used to measure open fields of varying pulse frequency, pulse dose, and beam energy with results normalized to air-filled chamber measurements. Changes in ratios of 1000 SRS to chamber measured dose were attributed to changing collection efficiencies, which were then correlated to pulse parameters using regression analysis. The usefulness of the derived corrections was then evaluated using 6 MV and 10FFF SBRT RapidArc plans delivered to the OCTAVIUS 4D system using a TrueBeam (Varian Medical Systems) linear accelerator equipped with a high definition multileaf collimator. For the first correction, matlab software was developed that calculates pulse frequency and pulse dose for each detector, using measurement and DICOM RT Plan files. Pulse information is converted to collection efficiency, and measurements are corrected by multiplying detector dose by ratios of calibration to measured collection efficiencies. For the second correction the MU/min in the daily 1000 SRS calibration was chosen to match the average MU/min of the volumetric modulated arc therapy plan. Effects of the two corrections on QA results were examined by

  15. Investigating ion recombination effects in a liquid-filled ionization chamber array used for IMRT QA measurements

    Energy Technology Data Exchange (ETDEWEB)

    Knill, Cory, E-mail: knillcor@gmail.com; Snyder, Michael; Rakowski, Joseph T.; Burmeister, Jay [Department of Radiation Oncology, Karmanos Cancer Institute, Detroit, Michigan 48201 and Department of Radiation Oncology, Wayne State University School of Medicine, Detroit, Michigan 48201 (United States); Zhuang, Ling [Department of Radiation Oncology, Wayne State University School of Medicine, Detroit, Michigan 48201 (United States); Matuszak, Martha [Department of Radiation Oncology, University of Michigan Health System, Ann Arbor, Michigan 48109 (United States)

    2016-05-15

    Purpose: PTW’s Octavius 1000 SRS array performs IMRT quality assurance (QA) measurements with liquid-filled ionization chambers (LICs) to allow closer detector spacing and higher resolution, compared to air-filled QA devices. However, reduced ion mobility in LICs relative to air leads to increased ion recombination effects and reduced collection efficiencies that are dependent on Linac pulse frequency and pulse dose. These pulse parameters are variable during an IMRT delivery, which affects QA results. In this study, (1) 1000 SRS collection efficiencies were measured as a function of pulse frequency and pulse dose, (2) two methods were developed to correct changes in collection efficiencies during IMRT QA measurements, and the effects of these corrections on QA pass rates were compared. Methods: To obtain collection efficiencies, the OCTAVIUS 1000 SRS was used to measure open fields of varying pulse frequency, pulse dose, and beam energy with results normalized to air-filled chamber measurements. Changes in ratios of 1000 SRS to chamber measured dose were attributed to changing collection efficiencies, which were then correlated to pulse parameters using regression analysis. The usefulness of the derived corrections was then evaluated using 6 MV and 10FFF SBRT RapidArc plans delivered to the OCTAVIUS 4D system using a TrueBeam (Varian Medical Systems) linear accelerator equipped with a high definition multileaf collimator. For the first correction, MATLAB software was developed that calculates pulse frequency and pulse dose for each detector, using measurement and DICOM RT Plan files. Pulse information is converted to collection efficiency, and measurements are corrected by multiplying detector dose by ratios of calibration to measured collection efficiencies. For the second correction the MU/min in the daily 1000 SRS calibration was chosen to match the average MU/min of the volumetric modulated arc therapy plan. Effects of the two corrections on QA results were

  16. Investigation of ultrafast dynamics of CdTe quantum dots by femtosecond fluorescence up-conversion spectroscopy

    NARCIS (Netherlands)

    Yao, G.-X.; Lü, L.-H.; Gui, M.-F.; Zhang, X.-Y.; Zheng, X.-F.; Ji, X.-H.; Zhang, H.; Cui, Z.-F.

    2012-01-01

    The ultrafast carrier relaxation processes in CdTe quantum dots are investigated by femtosecond fluorescence up-conversion spectroscopy. Photo-excited hole relaxing to the edge of the forbidden gap takes a maximal time of ~ 1.6 ps with exciting at 400 nm, depending on the state of the photo-excited

  17. Symmetry-resolved spectroscopy by detection of a metastable hydrogen atom for investigating the doubly excited states of molecular hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Odagiri, Takeshi; Kumagai, Yoshiaki; Tanabe, Takehiko; Nakano, Motoyoshi; Kouchi, Noriyuki [Department of Chemistry, Tokyo Institute of Technology, Meguro-ku, Tokyo 152-8551 (Japan); Suzuki, Isao H, E-mail: joe@chem.titech.ac.j [Photon Factory, IMSS, KEK, Tsukuba, Ibaraki 305-0801 (Japan)

    2009-11-01

    Symmetry-resolved spectroscopy for investigating the doubly excited states of molecular hydrogen has been newly developed, where a metastable hydrogen atom dissociating in a direction parallel and perpendicular to the electric vector of the linearly polarized incident light is detected.

  18. Determination of degree of ionization of poly(allylamine hydrochloride) (PAH) and poly[1-[4-(3-carboxy-4 hydroxyphenylazo)benzene sulfonamido]-1,2-ethanediyl, sodium salt] (PAZO) in layer-by-layer films using vacuum photoabsorption spectroscopy.

    Science.gov (United States)

    Ferreira, Q; Gomes, P J; Ribeiro, P A; Jones, N C; Hoffmann, S V; Mason, N J; Oliveira, O N; Raposo, M

    2013-01-08

    Electrostatic and hydrophobic interactions govern most of the properties of supramolecular systems, which is the reason determining the degree of ionization of macromolecules has become crucial for many applications. In this paper, we show that high-resolution ultraviolet spectroscopy (VUV) can be used to determine the degree of ionization and its effect on the electronic excitation energies of layer-by-layer (LbL) films of poly(allylamine hydrochloride) (PAH) and poly[1-[4-(3-carboxy-4 hydroxyphenylazo)benzene sulfonamido]-1,2-ethanediyl, sodium salt] (PAZO). A full assignment of the VUV peaks of these polyelectrolytes in solution and in cast or LbL films could be made, with their pH dependence allowing us to determine the pK(a) using the Henderson-Hasselbach equation. The pK(a) for PAZO increased from ca. 6 in solution to ca. 7.3 in LbL films owing to the charge transfer from PAH. Significantly, even using solutions at a fixed pH for PAH, the amount adsorbed on the LbL films still varied with the pH of the PAZO solutions due to these molecular-level interactions. Therefore, the procedure based on a comparison of VUV spectra from solutions and films obtained under distinct conditions is useful to determine the degree of dissociation of macromolecules, in addition to permitting interrogation of interface effects in multilayer films.

  19. Resonance Ionization Laser Ion Sources

    CERN Document Server

    Marsh, B

    2013-01-01

    The application of the technique of laser resonance ionization to the production of singly charged ions at radioactive ion beam facilities is discussed. The ability to combine high efficiency and element selectivity makes a resonance ionization laser ion source (RILIS) an important component of many radioactive ion beam facilities. At CERN, for example, the RILIS is the most commonly used ion source of the ISOLDE facility, with a yearly operating time of up to 3000 hours. For some isotopes the RILIS can also be used as a fast and sensitive laser spectroscopy tool, provided that the spectral resolution is sufficiently high to reveal the influence of nuclear structure on the atomic spectra. This enables the study of nuclear properties of isotopes with production rates even lower than one ion per second and, in some cases, enables isomer selective ionization. The solutions available for the implementation of resonance laser ionization at radioactive ion beam facilities are summarized. Aspects such as the laser r...

  20. Electronic transitions in α-oligothiophene thin films. Comparison of ultraviolet/visible absorption spectroscopy and high resolution electron energy loss spectroscopy investigations

    Science.gov (United States)

    Oeter, D.; Egelhaaf, H.-J.; Ziegler, Ch.; Oelkrug, D.; Göpel, W.

    1994-10-01

    Vapor deposited thin films of a series of α-oligothiophenes are investigated comparatively with polarized ultraviolet/visible absorption spectroscopy (UV/VIS) and by high resolution electron energy loss spectroscopy (HREELS) in specular reflection geometry. The complementary selection rules of these methods allow an assignment of the observed absorption and loss bands according to a Hückel molecular orbital model. By plotting the transition energies of corresponding bands of different members of the homologous series vs the reciprocal of the number of rings, the development of the one-dimensional ``π-band-structure'' with an increasing number of rings could be followed. The extrapolation to infinite chain length leads to the electronic properties of an ideal (defect free) polythiophene. Furthermore, characteristic differences were observed in the results obtained from the two methods. The orientation of the molecules in thin films is only detectable with UV/VIS spectroscopy. It is most pronounced for α-quinquethiophene. On the other hand, HREELS gives information about the position of optical parity forbidden electronic transitions.

  1. FT-IR光谱在电离辐射作用于微生物研究中的应用%Application of FT-IR Spectroscopy in Study of Biological Effects on Microorganisms Induced by Ionizing Radiation

    Institute of Scientific and Technical Information of China (English)

    刘京华; 黄青

    2012-01-01

    傅里叶变换红外光谱(Fourier transform infrared spectroscopy,FT-IR)是一种很有用的生物分析检测技术,通过FT-IR光谱技术可以得到有关蛋白质、脂类、核酸和多糖等微生物和细胞各类组成成分的信息.基于同步辐射光源的显微FT-IR光谱具有更高的空间分辨率和更快的测量速度,因而在生物学研究中具有进行快速、实时、动态和无损检测等优势.本文介绍了FT-IR光谱技术在微生物及电离辐射作用于微生物引起的生物学效应研究中的应用,并对该领域未来研究的发展趋势进行了展望.%Fourier transform infrared (FT-IR) spectroscopy is a useful and powerful technique that can provide rich information on proteins,lipids,nucleic acids and carbohydrates in biological systems. Especially,the high-resolution synchrotron Fourier-transform infrared (SR-FTIR) microspectroscopy and imaging technique can be employed as an excellent tool for convenient,fast,non-invasive,and real-time monitoring of varied complicated processes occuring in a biological system. In this review,the authors discuss the recent progress on the application of FT-IR spectroscopy in the study of biological effects on microorganisms induced by ionizing radiation,and also give an outlook for the future FT-IR spectroscopy research in this field.

  2. Spectroscopic Investigations of Highly Charged Tungsten Ions - Atomic Spectroscopy and Fusion Plasma Diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Clementson, Joel [Lund Univ. (Sweden)

    2010-05-01

    The spectra of highly charged tungsten ions have been investigated using x-ray and extreme ultraviolet spectroscopy. These heavy ions are of interest in relativistic atomic structure theory, where high-precision wavelength measurements benchmark theoretical approaches, and in magnetic fusion research, where the ions may serve to diagnose high-temperature plasmas. The work details spectroscopic investigations of highly charged tungsten ions measured at the Livermore electron beam ion trap (EBIT) facility. Here, the EBIT-I and SuperEBIT electron beam ion traps have been employed to create, trap, and excite tungsten ions of M- and L-shell charge states. The emitted spectra have been studied in high resolution using crystal, grating, and x-ray calorimeter spectrometers. In particular, wavelengths of n = 0 M-shell transitions in K-like W55+ through Ne-like W64+, and intershell transitions in Zn-like W44+ through Co-like W47+ have been measured. Special attention is given to the Ni-like W46+ ion, which has two strong electric-dipole forbidden transitions that are of interest for plasma diagnostics. The EBIT measurements are complemented by spectral modeling using the Flexible Atomic Code (FAC), and predictions for tokamak spectra are presented. The L-shell tungsten ions have been studied at electron-beam energies of up to 122 keV and transition energies measured in Ne-like W64+ through Li-like W71+. These spectra constitute the physics basis in the design of the ion-temperature crystal spectrometer for the ITER tokamak. Tungsten particles have furthermore been introduced into the Sustained Spheromak Physics Experiment (SSPX) spheromak in Livermore in order to investigate diagnostic possibilities of extreme ultraviolet tungsten spectra for the ITER divertor. The spheromak measurement and spectral modeling using FAC suggest that tungsten ions in charge states around Er-like W6+ could be useful for

  3. Simultaneous Chandra and RXTE Spectroscopy of the Microquasar H~1743-322: Clues to Disk Wind and Jet Formation from a Variable Ionized Outflow

    CERN Document Server

    Miller, J M; Homan, J; Fabian, A C; Steeghs, D; Wijnands, R; Rupen, M; Charles, P; Van der Klis, M; Lewin, W H G

    2004-01-01

    We observed the bright phase of the 2003 outburst of the Galactic black hole candidate H 1743-322 in X-rays simultaneously with Chandra and RXTE on four occasions. The Chandra/HETGS spectra reveal narrow, variable (He-like) Fe XXV and (H-like) Fe XXVI resonance absorption lines. In the first observation, the Fe XXVI line has a FWHM of 1800 +/- 400 km/s and a blue-shift of 700 +/- 200 km/s, suggesting that the highly ionized medium is an outflow. Moreover, the Fe XXV line is observed to vary significantly on a timescale of a few hundred seconds in the first observation, which corresponds to the Keplerian orbital period at approximately 1 E+4 gravitational radii. Our models for the absorption geometry suggest that a combination of geometric effects and changing ionizing flux are required to account for the large changes in line flux observed between observations, and that the absorption likely occurs at a radius less than 1 E+4 radii for a 10 Msun black hole. Viable models for the absorption geometry include cy...

  4. Structural characterization by infrared multiple photon dissociation spectroscopy of protonated gas-phase ions obtained by electrospray ionization of cysteine and dopamine

    NARCIS (Netherlands)

    Steill, J. D.; Szczepanski, J.; Oomens, J.; Eyler, J. R.; Brajter-Toth, A.

    2011-01-01

    Structural characterization of protonated gas-phase ions of cysteine and dopamine by infrared multiple photon dissociation (IRMPD) spectroscopy using a free electron laser in combination with theory based on DFT calculations reveals the presence of two types of protonated dimer ions in the electrosp

  5. Structural investigation of aluminium doped ZnO nanoparticles by solid-state NMR spectroscopy.

    Science.gov (United States)

    Avadhut, Yamini S; Weber, Johannes; Hammarberg, Elin; Feldmann, Claus; Schmedt auf der Günne, Jörn

    2012-09-07

    The electrical conductivity of aluminium doped zinc oxide (AZO, ZnO:Al) materials depends on doping induced defects and grain structure. This study aims at relating macroscopic electrical conductivity of AZO nanoparticles with their atomic structure, which is non-trivial because the derived materials are heavily disordered and heterogeneous in nature. For this purpose we synthesized AZO nanoparticles with different doping levels and narrow size distribution by a microwave assisted polyol method followed by drying and a reductive treatment with forming gas. From these particles electrically conductive, optically transparent films were obtained by spin-coating. Characterization involved energy-dispersive X-ray analysis, wet chemical analysis, X-ray diffraction, electron microscopy and dynamic light scattering, which provided a basis for a detailed structural solid-state NMR study. A multinuclear ((27)Al, (13)C, (1)H) spectroscopic investigation required a number of 1D MAS NMR and 2D MAS NMR techniques (T(1)-measurements, (27)Al-MQMAS, (27)Al-(1)H 2D-PRESTO-III heteronuclear correlation spectroscopy), which were corroborated by quantum chemical calculations with an embedded cluster method (EEIM) at the DFT level. From the combined data we conclude that only a small part of the provided Al is incorporated into the ZnO structure by substitution of Zn. The related (27)Al NMR signal undergoes a Knight shift when the material is subjected to a reductive treatment with forming gas. At higher (formal) doping levels Al forms insulating (Al, H and C containing) side-phases, which cover the surface of the ZnO:Al particles and increase the sheet resistivity of spin-coated material. Moreover, calculated (27)Al quadrupole coupling constants serve as a spectroscopic fingerprint by which previously suggested point-defects can be identified and in their great majority be ruled out.

  6. Numerical and experimental investigation of a low-frequency measurement technique: differential acoustic resonance spectroscopy

    Science.gov (United States)

    Yin, Hanjun; Zhao, Jianguo; Tang, Genyang; Ma, Xiaoyi; Wang, Shangxu

    2016-06-01

    Differential acoustic resonance spectroscopy (DARS) has been developed to determine the elastic properties of saturated rocks within the kHz frequency range. This laboratory technique is based on considerations from perturbation theory, wherein the resonance frequencies of the resonant cavity with and without a perturbation sample are used to estimate the acoustic properties of the test sample. In order to better understand the operating mechanism of DARS and therefore optimize the procedure, it is important to develop an accurate and efficient numerical model. Accordingly, this study presents a new multiphysics model by coupling together considerations from acoustics, solid mechanics, and electrostatics. The numerical results reveal that the newly developed model can successfully simulate the acoustic pressure field at different resonance modes, and that it can accurately reflect the measurement process. Based on the understanding of the DARS system afforded by the numerical simulation, we refine the system configuration by utilizing cavities of different lengths and appropriate radii to broaden the frequency bandwidth and ensure testing accuracy. Four synthetic samples are measured to test the performance of the optimized DARS system, in conjunction with ultrasonic and static measurements. For nonporous samples, the estimated bulk moduli are shown to be independent of the different measurement methods (i.e. DARS or ultrasonic techniques). In contrast, for sealed porous samples, the differences in bulk moduli between the low- and high-frequency techniques can be clearly observed; this discrepancy is attributed to frequency dispersion. In summary, the optimized DARS system with an extended frequency range of 500-2000 Hz demonstrates considerable utility in investigating the frequency dependence of the acoustic properties of reservoir rocks.

  7. Wavelength dependence of laser induced breakdown spectroscopy (LIBS) on questioned document investigation.

    Science.gov (United States)

    Elsherbiny, Nany; Aied Nassef, O

    2015-07-01

    The fast and nearly non-destructive criteria of laser induced breakdown spectroscopy (LIBS) technique has been exploited for forensic purposes, specifically, document investigation. The dependence of the optical emission spectra of different black gel ink samples on the excitation laser wavelength, namely the visible wavelength at λ=532 nm and the IR wavelength at λ=1064 nm, was studied. The inks of thirty black gel-ink pens comprising ten brands were analyzed to determine the variation of the chemical composition of ink and to discriminate among them with minimum mass removal and minimum damage to the document's paper. Under the adopted experimental conditions, the ability of the visible LIBS to differentiate among the different ink samples was successful compared to IR LIBS at the same laser pulse energy (~25 mJ/pulse, laser fluence is ~1400J·cm(-2) for visible laser and ~1100J·cm(-2) for IR laser) which could be attributed to the IR absorption effects by the black ink. However, the visible LIBS produces deeper crater with respect to that produced by IR LIBS. Applying IR LIBS with higher pulse energy of ~87mJ (laser fluence is ~4100J·cm(-2)), identification and differentiation of the adopted samples was performed with producing a larger-diameter but superficial crater. The plasma parameters are discussed at the adopted experimental conditions. The results support the potential of LIBS technique using both the visible and IR lasers to be commercially developed for forensic document examination. Copyright © 2015 Forensic Science Society. Published by Elsevier Ireland Ltd. All rights reserved.

  8. Acid Aging Effects on Surfaces of PTFE Gaskets Investigated by Fourier Transform Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    L. Giorgini

    2016-09-01

    Full Text Available This paper investigates the effect of a prolonged acid and thermal attack, on the surface of PTFE by Fourier Transform Infrared Micro-Spectroscopy (FT-IR. The materials are commercialized by two alternative producers in form of Teflon tapes. These tapes are installed in process plants where tires moulds are cleaned inside a multistage ultrasonic process. In these cases, Teflon tapes, having a role of gaskets, show inexplicably phenomena of degradation in relatively short operation periods. Even considering that these gaskets are exposed to the combined effect of ultrasonic waves, temperature, humidity and acid attack, the PTFE properties of resistance nominally exclude the possibility of these severe erosion phenomena. An interesting explanation can be related to the potential presence in the cleaning solution, mainly based on sulfamic acid, of highly reactive chemical compounds, as chlorides and fluorides, originated by the disaggregation of elements from the tire composition and/or additives used as processing aids and/or by catalytic effect generated by fluorine produced by PTFE degradation. In general, up to 300 different chemical elements, both organic and inorganic, natural and synthetic, are merged in a tire. Since this composition is practically unknown, especially regarding additives and “unusual elements”, representing a secrecy of each tire manufactures, it is really complex to define the chemical composition of the cleaning solution with an appropriate precision. As a consequence, the gaskets have been treated with different mixtures of acids in the way to combine a larger range of possibilities. Thus, the FT-IR experimental characterization of PTFE surface properties followed an appropriate accelerated aging, aiming at actuating the specific mechanics of wearing as in industrial use. The different acid treatments adopted for accelerating the aging of gaskets have highlighted the different behaviour of the PTFE matrix, but

  9. CaCO3, its reaction and carbonate rocks: terahertz spectroscopy investigation

    Science.gov (United States)

    Zhan, Honglei; Wu, Shixiang; Zhao, Kun; Bao, Rima; Xiao, Lizhi

    2016-10-01

    Carbonate-rich rocks cover a primary part of the earth’s petroleum geology reservoir. The study of carbonate has special significance and more effective study methods are now needed. In order to improve the availability of carbonate rock detection, terahertz (THz) spectroscopy was employed to investigate relevant materials in Na2CO3  +  CaCl2  =  CaCO3  +  2NaCl, which is often used to generate CaCO3. By comparing the materials composited with different ions, it can be revealed that Ca2+, \\text{CO}32- , Na+ and Cl- have respective absorption features at different frequencies. Furthermore, by utilizing a conservation equation it can be observed that the average refractive indices of Na2CO3 as well as CaCl2 equal those of CaCO3 and NaCl in the entire range. Combining the absorption and refractive effect of the materials in the reaction can comprehensively characterize the different substances and reveal the inner interaction during the reaction. THz spectra can deduce the process of molecule rearrangement in the chemical reaction of long-term rock evolution. Besides, the absorption features of the real carbonate rock collected from the nearest town of Sinan county, Guizhou province in Yunnan-Guizhou plateau validate the peaks’ central frequencies of ions and the principal components of carbonates, which can be in agreement with the SEM-EDS analysis. This research will supply a spectral tool to identify the particles in the rock and deduce an evolution of petroleum carbonate reservoir.

  10. Investigation of brain injury using in vivo multinuclear magnetic resonance imaging and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chew, W.M.

    1989-01-01

    Magnetic Resonance Imaging (MRI) and Spectroscopy (MRS) are becoming increasingly important tools to the fields of biochemistry, physiology, and medicine. MRI and MRS studies offer one the opportunity to obtain anatomic images and biochemical information non-invasively and non-destructively, thus making serial repeated measurements possible on the same experimental subject. To investigate brain injury, the non-invasiveness finally allows one to follow the time course of evolution of injury and its effects on the brains metabolism. Although MRI and MRS offer exciting opportunities, much work is needed to overcome the initial problems of signal localization from a specified region of interest. Also, the potential utility of multinuclear (i.e. {sup 13}C, {sup 19}F, {sup 23}Na...) MRI and MRS studies, in assessing brain injury, is yet to be determined. This thesis attacks the aforementioned problems with a series of studies both on phantoms and in vivo. Experiments were performed to determine optimal localization schemes for use in MRS of the brain to overcome the initial problems encountered with MRS studies. The feasibility and utility of multinuclear MRI and MRS was determined in vivo involving {sup 13}C, {sup 19}F, and {sup 23}Na nuclei. The results of these studies have proven that acceptable signal localization for MRS studies is achievable and is not a hindrance for future MRS studies. Also, multinuclear studies have shown that it is feasible to obtain MRI or MRS data from less abundant nuclei and that the information obtained does or can provide useful insights into brain metabolism in pathologic states.

  11. Investigation of Tunable Diode Spectroscopy for Monitoring Gases in Geothermal Plants

    Energy Technology Data Exchange (ETDEWEB)

    J. K. Partin

    2006-08-01

    The results of an investigation directed at the development of instrument-tation for the real-time monitoring of gases, such as hydrogen sulfide (H2S) and chloride (HCl), in geothermal process streams is described. The geothermal power industry has an interest in the development of new low maintenance techniques since improved capabilities could lead to considerable cost savings through the optimization of various gas abatement processes. Tunable diode laser spectroscopy was identified as a candidate tech-nology for this application and a commercial instrument was specified and procured for testing. The measurement principle involved the use of solid state diode lasers and frequency modulation techniques. The gallium arsenide diode lasers employed emit light in the 0.7 to 2.0 micron region of the electromagnetic spectrum. This region contains the overtone and combination absorption bands of a number of species of industrial interest, including H2S and HCl. A particular device can be tuned over a small range to match the absorption line by changing its applied temperature and current. The diode current can also be sinusoidally modulated in frequency as it is tuned across the line. This modulation allows measurements to be conducted at frequencies where the laser intensity noise is minimal; and therefore, very high signal-to-noise measurements are possible. The feasibility of using this technology in various types of geothermal process streams has been explored. The results of laboratory and field studies are presented along with new advances in laser technology that could allow more sensitive and selective measurements to be performed.

  12. Investigation of the inclusion behavior between p-sulfoniccalix[8]arene and norfloxacin by fluorescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wang Xueying [School of Chemistry and Chemical Engineering, Room 204, Building 9, No. 106, Jiwei Road, University of Jinan, Jinan 250022, Shandong (China); Luo Chuannan, E-mail: chm_luocn@ujn.edu.cn [School of Chemistry and Chemical Engineering, Room 204, Building 9, No. 106, Jiwei Road, University of Jinan, Jinan 250022, Shandong (China); Lv Zhen; Lu Fuguang [School of Chemistry and Chemical Engineering, Room 204, Building 9, No. 106, Jiwei Road, University of Jinan, Jinan 250022, Shandong (China)

    2011-09-15

    The host-guest complexation between p-sulfoniccalix[8]arene (SC{sub 8}A) and norfloxacin (NFLX) in aqueous solution was investigated by fluorescence spectroscopy. Strong fluorescence intensity of the NFLX aqueous solution alone and obvious fluorescence quenching of NFLX solution in the presence of SC{sub 8}A were observed. The fluorescence lifetimes of NFLX and SC{sub 8}A-NFLX inclusion complex were determined and the effect of temperature on SC{sub 8}A-NFLX inclusion complex was studied. The static quenching of the inclusion was obtained, that is the SC{sub 8}A can form a nonfluorescent ground-state inclusion complex with NFLX. As the results show, the combined ratio (n) was 1:1 and association constant K was 1.17x10{sup 5} L/mol. Based on the experimental results, the mechanism of the inclusion complex was explored. The space matching, electrostatic force and hydrogen bond play important effects in the inclusion process. Subsequently, the addition of bovine serum albumin (BSA) solution led to the recovery of fluorescence intensity. It is indicated that BSA can liberate the NFLX into the solution by destructing the SC{sub 8}A-NFLX inclusion complex. Hence SC{sub 8}A may be used for controlled-release drug delivery in the pharmaceutical industry. - Highlights: > Fluorescence lifetimes of NFLX and SC8A-NFLX inclusion complex were determined. > Mechanism of the SC8A-NFLX inclusion complex was explored. > It is proved that SC8A can form a nonfluorescent ground-state inclusion complex with NFLX.

  13. Investigation of human visual cortex responses to flickering light using functional near infrared spectroscopy and constrained ICA

    OpenAIRE

    Nguyen Duc Thang; Vo Van Toi; Le Giang Tran; Nguyen Huynh Minh Tam; Lan Anh Trinh

    2014-01-01

    The human visual sensitivity to the flickering light has been under investigation for decades. The finding of research in this area can contribute to the understanding of human visual system mechanism and visual disorders, and establishing diagnosis and treatment of diseases. The aim of this study is to investigate the effects of the flickering light to the visual cortex by monitoring the hemodynamic responses of the brain with the functional near infrared spectroscopy (fNIRS) method. Since t...

  14. Electronic states of model hydrocarbon chromophores investigated by Synchrotron Radiation Linear Dichroism (SRLD) spectroscopy on aligned samples

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Hoffmann, Søren Vrønning; Jones, Nykola

    2010-01-01

    Conventional UV-VIS absorption spectroscopy provides information on transition energies and intensities. Linear dichroism (LD) spectroscopy on aligned molecular samples yields additional information on transition moment directions, thereby frequently leading to resolution of otherwise overlapping...... solvents, for example stretched polyethylene. With a traditional UV light source (deuterium lamp, Glan prism polarizer), LD spectroscopy on thin polyethylene samples can be performed in the spectral range up to 47 000 cm-1 (210 nm). But with synchrotron radiation as a source of linearly polarized UV light......, the region can be extended considerably. Previous SRLD experiments performed with the UV1 beamline at ISA (Aarhus University) obtained excellent LD spectra up to 57000 cm-1 (175 nm), thereby increasing the investigated range by no less than 10000 cm-1. In this communication, we present corresponding results...

  15. Investigation of Antioxidant Activity of Pomegranate Juices by Means of Electron Paramagnetic Resonance and UV-Vis Spectroscopy.

    Science.gov (United States)

    Kozik, Violetta; Jarzembek, Krystyna; Jędrzejowska, Agnieszka; Bąk, Andrzej; Polak, Justyna; Bartoszek, Mariola; Pytlakowska, Katarzyna

    2015-01-01

    Pomegranate fruit (Punica granatum L.) is a source of numerous phenolic compounds, and it contains flavonoids such as anthocyanins, anthocyanidins, cyanidins, catechins and other complexes of flavonoids, ellagitannins, and hydrolyzed tannins. Pomegranate juice shows antioxidant, antiproliferative, and anti-atherosclerotic properties. The antioxidant capacity (TEAC) of the pomegranate juices was measured using electron paramagnetic resonance (EPR) spectroscopy and 1,1-diphenyl-2-picrylhydrazyl (DPPH•) as a source of free radicals, and the total phenolic (TP) content was measured using UV-Vis spectroscopy. All the examined pomegranate juices exhibited relatively high antioxidant properties. The TEAC values determined by means of EPR spectroscopy using Trolox (TE) as a free radical scavenger were in the range of 463.12 to 1911.91 μmol TE/100 mL juice. The TP content measured by the Folin-Ciocalteu method, using gallic acid (GA) as a free radical scavenger, widely varied in the investigated pomegranate juice samples and ranged from 1673.62 to 5263.87 mg GA/1 L juice. The strongest antioxidant properties were observed with the fresh pomegranate juices obtained from the fruits originating from Israel, Lebanon, and Azerbaijan. Correlation analysis of numerical data obtained by means of EPR spectroscopy (TEAC) and UV-Vis spectroscopy (TP) gave correlation coefficient (r)=0.90 and determination coefficient (r2)=0.81 (P<0.05).

  16. Photoelectron spectroscopy of several lanthanide β-diketonates

    Energy Technology Data Exchange (ETDEWEB)

    Westcott, Barry L., E-mail: westcottb@ccsu.edu [Department of Chemistry and Biochemistry, Central Connecticut State University, New Britain, CT 06053 (United States); Seguin, Trevor J. [Department of Chemistry and Biochemistry, Central Connecticut State University, New Britain, CT 06053 (United States); Gruhn, Nadine E. [Department of Chemistry, University of Washington, Seattle, WA 98195 (United States)

    2014-03-01

    The valence region electronic structure of Ln(acac){sub 3} complexes (Ln = Nd, Tm, Pr; acac = acetylacetonate) is investigated using, principally, gas-phase ultraviolet photoelectron (PE) spectroscopy. Analysis of PE spectra focuses on the 7–12 eV region containing the first several ionization bands which likely contain metal f-ionizations and acac-based ionizations. These correspond to oxygen 2p-type orbitals and carbon 2p-type orbitals, which are equivalent to oxygen lone pairs and electrons from the pi-bond system of the ligand.

  17. An investigation of the molecular properties of 1,1,1-trichloroethane using laser spectroscopy

    CSIR Research Space (South Africa)

    Mametja, MB

    2008-11-01

    Full Text Available .2.1. Calibration of the time of flight system using nanosecond and femtosecond laser pulses 79 6.2.2. Conditions for optimization of TOF-MS system using nanosecond laser pulse 82 6.2.2.1. Defocusing position 83 vii 6.2.2.2. Delay scans 85 6....2.2.3. Laser energy 86 6.2.2.4. Backing pressure (carrier gas pressure) 86 6.2.3. TCE mass spectra obtained using the nanosecond and femtosecond laser systems 87 6.2.3.1. Nanosecond laser ionization mass spectra of TCE 87 6...

  18. Investigation of intense femto-second laser ionization and dissociation of methane with time-dependent density-functional approach

    Science.gov (United States)

    Irani, E.; Sadighi-Bonabi, R.; Anvari, A.

    2014-06-01

    Three dimensional calculations of electronic dynamics of CH4 in a strong laser field are presented with time-dependent density-functional theory. Time evolution of dipole moment and electron localization function is presented. The dependence of dissociation rate on the laser characters is shown and optimal effective parameters are evaluated. The optimum field leads to 76% dissociation probability for GAUSSIAN envelope and 40 fs (FWHM) at 1016 W cm-2. The dissociation probability is calculated by optimum convolution of dual short pulses. By combining of field assisted dissociation process and Ehrenfest molecular dynamics, time variation of bond length, velocity and orientation effect are investigated.

  19. {alpha} Spectroscopy by the method of grid ionization grid chamber, application to the case of uranium; Spectrographie {alpha} par la methode de la chambre d'ionisation a grille application a l'uranium

    Energy Technology Data Exchange (ETDEWEB)

    Sayag, G.J. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1951-06-15

    Le present work had for aim the verification of the operating of an equipment: chamber of grid ionization, amplifiers and discriminator with nine channels, constructed by the, Commissariat a l'energie Atomique to serve for the {alpha} spectroscopy. To this occasion, different measurements had been done on a source of uranium: energy of the {alpha} of U{sub 234} and U{sub 235} according to those of them {alpha} of U{sub 238} taken as standard, relative intensities, of the {alpha} radiation of the three isotopes and notably of the low abundant group due to the isotope 235. (author) [French] Le present travail a eu pour objet la verification du fonctionnement d'un appareillage: chambre d'ionisation a grille, amplificateurs et discriminateur a neuf canaux, construit par le Commissariat a l'Energie Atomique pour servir a la spectroscopie {alpha}. A cette occasion, differentes mesures ont ete effectuees sur une source d'uranium: energie des {alpha} de U{sub 234} et de U{sub 235} en fonction de celle des {alpha} de U{sub 238} prise pour etalon, intensites relatives des rayonnement {alpha} des trois isotopes et notamment du groupe peu abondant du a l'isotope 235. (auteur)

  20. Transmission-geometry electrochemical cell for in-situ scattering and spectroscopy investigations

    Science.gov (United States)

    Chupas, Peter J.; Chapman, Karena W.; Kurtz, Charles A.; Borkiewicz, Olaf J.; Wiaderek, Kamila Magdelena; Shyam, Badri

    2015-05-05

    The present invention relates to a test chamber that can be used to perform a variety of X-ray and neutron spectroscopy experiments including powder diffraction, small-angle scattering, X-ray absorption spectroscopy, and pair distribution functions, such chamber comprising a first electrode with an X-ray transparent window; a second electrode with an X-ray transparent window; a plurality of insulating gaskets providing a hermetic seal around the sample and preventing contact between said first and second electrodes; and an insulating housing into which the first electrode is secured.

  1. Terahertz electromagnetic waves emitted from semiconductor investigated using terahertz time domain spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Yiming Zhu; Songlin Zhuang

    2011-01-01

    Ultrafast electromagnetic waves radiated from semiconductor material under high electric fields and pho-toexcited by femtosecond laser pulses have been recorded by using terahertz time domain spectroscopy (THz-TDS). The waveforms of these electromagnetic waves reflect the dynamics of the photoexcited carriers in the semiconductor material, thus, THz-TDS provides a unique opportunity to observe directly the temporal and spatial evolutions of non-equilibrium transport of carriers within sub-picosecond time scale. We report on the observed THz emission waveforms emitted from GaAs by using a novel technology, the time domain THz electro-optic (EO) sampling, which has a bipolar feature, I.e., an initial positive peak and a subsequent negative dip that arises from its velocity overshoot. The initial positive peak has been interpreted as electron acceleration in the bottom of F valley in GaAs, where electrons have a light effective mass. The subsequent negative dip has been attributed to intervalley transfer from F to X and L valleys. Furthermore, the power dissipation spectra of the bulk GaAs in THz range are also investigated by using the Fourier transformation of the time domain THz traces. From the power dissipation spectra, the cutoff frequency for negative power dissipation (I.e., gain) under step electric field in the bulk GaAs can also be obtained. The cutoff frequency for the gain gradually increases with increasing electric fields up to 50 kV/cm and achieves saturation at approximately 1 THz at 300 K. Furthermore, based on the temperature dependence of the cutoff frequency, we find that this cutoff frequency is governed by the energy relaxation process of electrons from L to F valley via successive optical phonon emission.%1.Introduction Ultrafast non-equilibrium transport of carriers in semiconductors biased at high electric fields is of fundamental interest in semiconductor physics.From a fundamental point of view,the detailed understanding of the femtosecond

  2. Fourier transform infared spectroscopy investigation of protein conformation in spray-dried protein/trehalose powders.

    Science.gov (United States)

    French, Donna L; Arakawa, Tsutomu; Li, Tiansheng

    2004-03-01

    Spray drying is a way to generate protein solids (powders), which is also true for lyophilization. Sugars are used to protect proteins from conformational changes and chemical degradations arising from drying processes and storage conditions such as the humidity. The influence of trehalose and humidity on the conformation and hydration of spray-dried recombinant human granolucyte colony stimulating factor (rhG-CSF) and recombinant consensus interferon-alpha (rConIFN) was investigated using Fourier transform IR spectroscopy. The spectral analysis of spray-dried powders in the amide I region demonstrated that trehalose stabilized the alpha-helical conformation of both rhG-CSF and rConIFN proteins. Exposure of the pure protein powders to 33% relative humidity (RH) resulted in the formation of beta sheets and loss of turns but no change in alpha-helical structure. Trehalose reduced the magnitude of the changes in beta sheets and turns. Exposure of the pure protein powders to 75% RH resulted in the loss of alpha-helical conformation with a corresponding increase in beta structures (beta sheets and turns). Trehalose did not protect proteins from the loss of alpha-helical structures, but it reduced the formation of antiparallel beta sheets. Hydrogen-deuterium exchange (H-D exchange) was used to further characterize these hydration-induced conformational changes. At 33% RH the percent exchange of the protein decreased with increasing trehalose content, indicating a greater protection of the protein from H-D exchange by a higher concentration of trehalose. Such protection correlates with decreased conformational changes of the protein by trehalose at this humidity. At 75% RH the degree of H-D exchange of the protein was insensitive to the powder composition in all powders. Surprisingly, the H-D exchange of trehalose was low at about 20-25%, which was nearly independent of the protein/trehalose ratio and humidity, indicating that the exchangeable protons on trehalose

  3. Investigation of photon counting pixel detectors for X-ray spectroscopy and imaging

    Energy Technology Data Exchange (ETDEWEB)

    Talla, Patrick Takoukam

    2011-04-07

    The Medipix2 and Medipix3 detectors are hybrid pixelated photon counting detectors with a pixel pitch of 55 {mu}m. The sensor material used in this thesis was silicon. Because of their small pixel size they suffer from charge sharing i.e. an incoming photon can be registered by more than one pixel. In order to correct for charge sharing due to lateral diffusion of charge carriers, the Medipix3 detector was developed: with its Charge Summing Mode, the charge collected in a cluster of 2 x 2 pixel is added up and attributed to only one pixel whose counter is incremented. The adjustable threshold of the detectors allows to count the photons and to gain information on their energy. The main purposes of the thesis are to investigate spectral and imaging properties of pixelated photon counting detectors from the Medipix family such as Medipix2 and Medipix3. The investigations are based on simulations and measurements. In order to investigate the spectral properties of the detectors measurements were performed using fluorescence lines of materials such as molybdenum, silver but also some radioactive sources such as Am-241 or Cd-109. From the measured data, parameters like the threshold dispersion and the gain variation from pixel-to-pixel were extracted and used as input in the Monte Carlo code ROSI to model the responses of the detector to monoenergetic photons. The measured data are well described by the simulations for Medipix2 and for Medipix3 operating in Charge Summing Mode. Due to charge sharing and due to the energy dependence of attenuation processes in silicon and to Compton scattering the incoming and the measured spectrum differ substantially from each other. Since the responses to monoenergetic photons are known, a deconvolution was performed to determine the true incoming spectrum. Several direct and iterative methods were successfully applied on measured and simulated data of an X-ray tube and radioactive sources. The knowledge of the X-ray spectrum is

  4. Investigation of filter sets for supervised pixel classification of cephalometric landmarks by spatial spectroscopy.

    Science.gov (United States)

    Rudolph, D J; Coggins, J M; Moon, H

    1997-12-01

    The diagnostic process of orthodontics requires the analysis of a cephalometric radiograph. Image landmarks on this two-dimensional lateral projection image of the patient's head are manually identified and spatial relationships are evaluated. This method is very time consuming. A reliable method for automatic computer landmark identification does not exist. Spatial Spectroscopy is a proposed method of automatic landmark identification on cephalometric radiographs, that decomposes an image by convolving it with a set of filters followed by a statistical decision process. The purpose of this paper is to discuss and test appropriate filter sets for the application of Spatial Spectroscopy for automatic identification of cephalometric radiographic landmarks. This study evaluated two different filter sets with 15 landmarks on fourteen images. Spatial Spectroscopy was able to consistently locate landmarks on all 14 cephalometric radiographs tested. The mean landmark identification error of 0.841 +/- 1.253 pixels for a Multiscale Derivative filter set and 0.912 +/- 1.364 pixels for an Offset Gaussian filter set was not significantly different. Furthermore, there were no significant differences between identification of individual landmarks for the Multiscale Derivative and the Offset Gaussian filter set (P > 0.05). These results suggest that Spatial Spectroscopy may be useful in landmark identification tasks.

  5. Structural investigation of bistrifluron using x-ray crystallography, NMR spectroscopy, and molecular modeling

    CERN Document Server

    Moon, J K; Rhee, S K; Kim, G B; Yun, H S; Chung, B J; Lee, S S; Lim, Y H

    2002-01-01

    A new insecticide, bistrifluron acts as an inhibitor of insect development and interferes with the cuticle formation of insects. Since it shows low acute oral and dermal toxicities, it can be one of potent insecticides. Based on X-ray crystallography, NMR spectroscopy and molecular modeling, the structural studies of bistrifluron have been carried out.

  6. X-ray Photoelectron Spectroscopy Investigation on Electrochemical Degradation of Proton Exchange Membrane Fuel Cell Electrodes

    DEFF Research Database (Denmark)

    Andersen, Shuang Ma; Dhiman, Rajnish; Skou, Eivind Morten

    2015-01-01

    X-ray photoelectron spectroscopy studies were systematically carried out on the electrodes before and after the electrochemical stress tests in an aqueous electrolyte at 20 °C and 70 °C. The electrodes have different ionomer structures (no ionomer, only ionomer, physically mixed ionomer and hot p...

  7. In operando Raman spectroscopy as a tool for investigation of solid oxide electrodes

    DEFF Research Database (Denmark)

    Traulsen, Marie Lund; Holtappels, Peter; Walker, Robert

    potential of combining in operando Raman spectroscopy with electrochemical characterisation, DTU Energy Conversion decided in 2014 to invest in a set-up dedicated to this purpose, At the end of the talk a short description will be given of this set-up, and the future plans will be described for combined...

  8. USING HIGH-RESOLUTION SOLUTION-STATE NMR SPECTROSCOPY TO INVESTIGATE PMDI REACTIONS WITH WOOD

    Science.gov (United States)

    Solution-state NMR spectroscopy provides a powerful tool for understanding the formation of chemical bonds between wood components and adhesives. Finely ground cell wall (CW) material fully dissolves in a solvent system containing dimethylsulfoxide (DMSO-d6) and N-methyl¬imidazole (NMI-d6), keeping ...

  9. MRI and P-31 Magnetic Resonance Spectroscopy Hardware for Axillary Lymph Node Investigation at 7T

    NARCIS (Netherlands)

    Rivera, Debra S.; Wijnen, Jannie P.; van der Kemp, Wybe J. M.; Raaijmakers, Alexander J.; Luijten, Peter R.|info:eu-repo/dai/nl/304821098; Klomp, DWJ|info:eu-repo/dai/nl/298206382

    2015-01-01

    PurposeNeoadjuvant treatment response in lymph nodes predicts patient outcome, but existing methods do not track response during therapy accurately. In this study, specialized hardware was used to adapt high-field (7T) P-31 magnetic resonance spectroscopy (MRS), which has been shown to track treatme

  10. Investigation of surface enhanced Raman spectroscopy for hemozoin detection in malaria diagnosis

    Science.gov (United States)

    Chen, Keren; Xiong, Aoli; Yuen, Clement; Preiser, Peter; Liu, Quan

    2016-03-01

    We report two methods of surface enhanced Raman spectroscopy (SERS) for hemozoin detection in malaria infected human blood. In the first method, silver nanoparticles were synthesized separately and then mixed with lysed blood; while in the second method, silver nanoparticles were synthesized directly inside the parasites of Plasmodium falciparum.

  11. Investigation of the coplanar barrier discharge in synthetic air at atmospheric pressure by cross-correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hoder, T [Department of Physical Electronics, Masaryk University, Kotlarska 2, Brno 611 37 (Czech Republic); SIra, M [Department of Physical Electronics, Masaryk University, Kotlarska 2, Brno 611 37 (Czech Republic); Kozlov, K V [Institute of Physics, Ernst-Moritz-Arndt University, Felix-Hausdorff-Str. 6, D-17489 Greifswald (Germany); Wagner, H-E [Institute of Physics, Ernst-Moritz-Arndt University, Felix-Hausdorff-Str. 6, D-17489 Greifswald (Germany)

    2008-02-07

    The barrier discharge in the coplanar arrangement operating in a single-filament mode was studied spectroscopically. The evolution of the discharge luminosity was measured by the technique of cross-correlation spectroscopy. The 1D-spatially and temporally resolved luminosities of the first negative (at 391.5 nm) and the second positive (at 337.1 nm) system of molecular nitrogen were recorded using the above-mentioned technique. A cathode-directed ionizing wave (IW) was clearly seen on the plot for radiation intensity at 337.1 nm. In addition to this, also observed was a wave of the enhanced electric field propagating over the anode. In this paper, the propagation of these waves is described and their velocities are determined. The discharge evolution is divided into three phases-the Townsend phase, the phase of the IWs propagation and the extinction phase. Since the above-mentioned luminosity distributions could be interpreted approximately as the electric field (for 391.5 nm) and the electron density (for 337.1 nm) distribution, the qualitative description of the discharge is made accordingly. All these parameters are compared with similar measurements of the volume discharge. Apart from this, an attempt to determine the reduced electric field is made according to the kinetic model.

  12. Investigations of the lysophospholipid composition of human neutrophils under different stimulation conditions by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry

    Directory of Open Access Journals (Sweden)

    JURGEN ARNHOLD

    2002-03-01

    Full Text Available Matrix-assisted laser desorption / ionization time-of-flight mass spectrometry (MALDI-TOF MS is usually used for the analyses of proteins, carbohydrates and oligonucleotides. In spite of the number of advantages that MALDI-TOF MS exhibits for lipid analysis, this method has not often been applied in this field. In this paper we have extended our previous studies on the suitability of MALDI-TOF MS for the investigation of changes in the content of lipid-derived second messengers in organic extracts of human neutrophils. Qualitative differences in the lysophospholipid composition in organic extracts of the human neutrophils under different stimulation conditions could be easily observed by MALDI-TOF MS. Although there are still some methodological problems to be solved before this method can be routinely applied for the quantification of different lipid classes in complex biological mixtures (such as organic extracts of human neutrophils it is shown here that MALDI-TOF MS possesses the capability to be used as a simple screening method for the investigation of the content of lipid-derived second messengers and of signalling pathways in cells.

  13. Ab initio investigation of structure, stability, thermal behavior, bonding, and infrared spectra of ionized water cluster (H2O)6+

    Science.gov (United States)

    Liu, Lei; Hu, Cui-E.; Tang, Mei; Chen, Xiang-Rong; Cai, Ling-Cang

    2016-10-01

    The low-lying isomers of cationic water cluster (H2O)6+ have been globally explored by using particle swarm optimization algorithm in conjunction with quantum chemical calculations. Compared with previous results, our searching method covers a wide range of structural isomers of (H2O)6+ and therefore turns out to be more effective. With these local minima, geometry optimization and vibrational analysis are performed for the most interesting clusters at second-order Møller-Plesset (MP2)/aug-cc-pVDZ level, and their energies are further refined at MP2/aug-cc-pVTZ and coupled-cluster theory with single, double, and perturbative triple excitations/aug-cc-pVDZ level. The interaction energies using the complete basis set limits at MP2 level are also reported. The relationships between their structure arrangement and their energies are discussed. Based on the results of thermal simulation, structural change from a four-numbered ring to a tree-like structure occurs at T ≈ 45 K, and the relative population of six lowest-free-energy isomers is found to exceed 4% at some point within the studied temperature range. Studies reveal that, among these six isomers, two new-found isomers constitute 10% of isomer population at 180 K, and the experimental spectra can be better explained with inclusions of the two isomers. The molecular orbitals for six representative cationic water clusters are also studied. Through topological and reduced density gradient analysis, we investigated the structural characteristics and the bonding strengths of these water cluster radical cations.

  14. Investigation by sup 5 sup 7 Fe- Moessbauer spectroscopy of some pyrite samples of different Romanian natural deposits

    CERN Document Server

    Constantinescu, S; Calogero, S

    2002-01-01

    Extracted pyrites from four Romanian geological deposits have been investigated by Moessbauer spectroscopy. The room temperature results of this investigation have been correlated with the data of sulfur isotope ratio and minor elements analysis of pyrite samples. The presence of three signals is identified in the Moessbauer spectra. They correspond to the two crystalline structure of FeS sub 2 while the third is suggested to be assigned to one of the components of the iron-sulfur-arsenic series of investigated minerals. (authors)

  15. Ionization processes in a local analogue of distant clumpy galaxies: VLT MUSE IFU spectroscopy and FORS deep images of the TDG NGC 5291N

    Science.gov (United States)

    Fensch, J.; Duc, P.-A.; Weilbacher, P. M.; Boquien, M.; Zackrisson, E.

    2016-01-01

    Context. We present Integral Field Unit (IFU) observations with MUSE and deep imaging with FORS of a dwarf galaxy recently formed within the giant collisional HI ring surrounding NGC 5291. This Tidal Dwarf Galaxy (TDG) -like object has the characteristics of typical z = 1-2 gas-rich spiral galaxies: a high gas fraction, a rather turbulent clumpy interstellar medium, the absence of an old stellar population, and a moderate metallicity and star formation efficiency. Aims: The MUSE spectra allow us to determine the physical conditions within the various complex substructures revealed by the deep optical images and to scrutinize the ionization processes at play in this specific medium at unprecedented spatial resolution. Methods: Starburst age, extinction, and metallicity maps of the TDG and the surrounding regions were determined using the strong emission lines Hβ, [OIII], [OI], [NII], Hα, and [SII] combined with empirical diagnostics. Different ionization mechanisms were distinguished using BPT-like diagrams and shock plus photoionization models. Results: In general, the physical conditions within the star-forming regions are homogeneous, in particular with a uniform half-solar oxygen abundance. On small scales, the derived extinction map shows narrow dust lanes. Regions with atypically strong [OI] emission line immediately surround the TDG. The [OI]/ Hα ratio cannot be easily accounted for by the photoionization by young stars or shock models. At greater distances from the main star-foming clumps, a faint diffuse blue continuum emission is observed, both with the deep FORS images and the MUSE data. It does not have a clear counterpart in the UV regime probed by GALEX. A stacked spectrum towards this region does not exhibit any emission line, excluding faint levels of star formation, or stellar absorption lines that might have revealed the presence of old stars. Several hypotheses are discussed for the origin of these intriguing features. Based on observations

  16. Investigation of Sn surface segregation during GeSn epitaxial growth by Auger electron spectroscopy and energy dispersive x-ray spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tsukamoto, Takahiro; Suda, Yoshiyuki [Graduate School of Engineering, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8588 (Japan); Hirose, Nobumitsu; Kasamatsu, Akifumi; Mimura, Takashi; Matsui, Toshiaki [National Institute of Information and Communications Technology, 4-2-1 Nukui-Kitamachi, Koganei, Tokyo 184-8795 (Japan)

    2015-02-02

    The mechanism of Sn surface segregation during the epitaxial growth of GeSn on Si (001) substrates was investigated by Auger electron spectroscopy and energy dispersive X-ray spectroscopy. Sn surface segregation depends on the growth temperature and Sn content of GeSn layers. During Sn surface segregation, Sn-rich nanoparticles form and move on the surface during the deposition, which results in a rough surface owing to facet formation. The Sn-rich nanoparticles moving on the surface during the deposition absorb Sn from the periphery and yield a lower Sn content, not on the surface but within the layer, because the Sn surface segregation and the GeSn deposition occur simultaneously. Sn surface segregation can occur at a lower temperature during the deposition compared with that during postannealing. This suggests that the Sn surface segregation during the deposition is strongly promoted by the migration of deposited Ge and Sn adatoms on the surface originating from the thermal effect of substrate temperature, which also suggests that limiting the migration of deposited Ge and Sn adatoms can reduce the Sn surface segregation and improve the crystallinity of GeSn layers.

  17. Investigation on the effect of fluorescence quenching of bovine serum albumin by cefoxitin sodium using fluorescence spectroscopy and synchronous fluorescence spectroscopy.

    Science.gov (United States)

    Li, Gaixia; Liu, Bao-Sheng; Zhang, Qiuju; Han, Rong

    2016-08-01

    The reaction mechanism of cefoxitin sodium with bovine serum albumin was investigated using fluorescence spectroscopy and synchronous fluorescence spectroscopy at different temperatures. The results showed that the change of binding constant of the synchronous fluorescence method with increasing temperature could be used to estimate the types of quenching mechanisms of drugs with protein and was consistent with one of fluorescence quenching method. In addition, the number of binding sites, type of interaction force, cooperativity between drug and protein and energy-transfer parameters of cefoxitin sodium and bovine serum albumin obtained from two methods using the same equation were consistent. Electrostatic force played a major role in the conjugation reaction between bovine serum albumin and cefoxitin sodium, and the type of quenching was static quenching. The primary binding site for cefoxitin sodium was sub-hydrophobic domain IIA, and the number of binding sites was 1. The value of Hill's coefficients (nH ) was approximately equal to 1, which suggested no cooperativity in the bovine serum albumin-cefoxitin sodium system. The donor-to-acceptor distance r fluorescence quenching of bovine serum albumin by cefoxitin sodium was also a non-radiation energy-transfer process. The results indicated that synchronous fluorescence spectrometry could be used to study the reaction mechanism between drug and protein, and was a useful supplement to the conventional method. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

  18. Total (complete) and ionization cross-sections of argon and krypton by positron impact from 15 to 2000 eV – Theoretical investigations

    Indian Academy of Sciences (India)

    Harshit N Kothari; K N Joshipura

    2012-09-01

    Considering interactions and scattering of positrons with argon (Ar) and krypton (Kr) atoms, we have calculated total cross-sections $(Q_{T} = Q_{el} + Q_{inel})$ using complex spherical potentials for these systems. In positron–atom scattering it is difficult to bifurcate the ionization and cumulative excitation contained in the total inelastic cross-section. An approximate method called CSP-ic (complex scattering potential-ionization contribution) similar to electron–atom scattering has been applied to bifurcate ionization and cumulative excitation cross-sections at energies from the threshold to 2000 eV. Adequate comparisons of the present results are made, with available data.

  19. Adiabatic nanofocusing: Spectroscopy, transport and imaging investigation of the nano world

    KAUST Repository

    Giugni, Andrea

    2014-11-01

    Adiabatic compression plays a fundamental role in the realization of localized enhanced electromagnetic field hot spots, it provides the possibility to focus at nanoscale optical excitation. It differs from the well-known lightning rod effect since it is based on the lossless propagation of surface plasmon polaritons (SPPs) up to a nano-sized metal tip where the energy density is largely enhanced. Here we discuss two important applications of adiabatic compression: Raman and hot electron spectroscopy at nanometric resolution. The underlying phenomena are the conversion of SPPs into photons or hot electrons. New scanning probe spectroscopy techniques along with experimental results are discussed. We foresee that these techniques will play a key role in relating the functional and structural properties of matter at the nanoscale.

  20. Investigating the Microstructure of Slenderized Wool Fibers at Different Stretching Ratios by Raman Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    LIU Hong-ling; YU Wei-dong; ZHANG Yue-ting

    2005-01-01

    The molecular conformation and the microstructure of the slenderized wool fibers have been studied by the Raman spectroscopy. The typical bands analyzed in this paper include the amideⅠand amide Ⅲ regions, the C-C skeletal vibration region, and the S-S and C-S bond vibration regions. The experimental results show that ⅰ) the Raman spectroscopy can reveal the secondary structural transformation from α-helical to β-pleated sheet begin at the early stage of stretching; ⅱ) the stretching mechanism of wool fibers can be divided into two different mechanisms, I.e. The secondary structural transformation and the slippage of the polypeptide chain; and ⅲ) the stretching leads to the increasing of the amount of the disordered conformation and the decreasing of the amount of S-S bonds.

  1. Photoionization Spectroscopy of Isolated cr Atoms in Ultracold Helium Nanodroplets

    Science.gov (United States)

    Kautsch, Andreas; Hasewend, Matthias; Ratschek, Martin; Koch, Markus; Ernst, Wolfgang E.

    2012-06-01

    Recently we succeeded in doping Cr atoms to He nanodroplets (HeN) at 0.4 Kand carried out resonance ionization mass spectroscopy (RIMS). Here we present resonant two-photon ionization (R2PI) measurements in the wavelength range from 350 to 361 nm (27700 - 28600 cm-1, 3.43 - 3.54 eV). As one of several possible ionization pathways we allocate a first excitation step to the y7Po ← a7S3 transition, happening inside the HeN. Due to the interaction with the surrounding He this excitation appears broadened in the spectra and gives the possibility to obtain detailed information about the perturbation upon electronic excitation of the Cr atom in HeN. Subsequently, the dopant atom leaves the HeN and is ionized in the gas phase where discrete free atom autoionization levels are populated leading to additional sharp spectral features. Future investigations with two photon two color ionization and selective electron energy ionization as well as quantum chemistry calculations will be discussed. M. Ratschek, M. Koch, and W. E. Ernst, J. Chem. Phys., in press (2012) C. Callegari and W. E. Ernst, Helium Droplets as Nanocryostats for Molecular Spectroscopy - from the Vacuum Ultraviolet to the Microwave Regime, in Handbook of High-Resolution Spectroscopy, eds. M. Quack and F. Merkt, John Wiley & Sons, Chichester, 2011.

  2. Investigation of Magnetic Resonance Spectroscopy Findings in Patients with Absence Status Epilepticus

    OpenAIRE

    Zeynep Aydın Özemir; Betül Baykan; Ebru Nur Vanlı Yavuz; Serra Sencer

    2016-01-01

    INTRODUCTION: Absence status epilepticus (ASE) has been well recognized for many years, but its pathophysiology has not yet been illuminated and there are speculations about GABAergic mechanisms. We aimed to study the etiopathogenesis of ASE by using magnetic resonance-spectroscopy (MRS), which gives in vivo information about neuronal loss and/or dysfunction by correlating the results with age- and sex-matched normal healthy controls (HC). METHODS: Four patients with genetic generalized ep...

  3. In-situ investigation of the calcination process of mixed oxide xerogels with Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Panitz, J.C. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    The controlled calcination of materials derived by sol-gel reactions is important for the evolution of the final structure. Raman spectroscopy is an ideal tool for the identification of surface species under in-situ conditions, as demonstrated in the following for the example of a molybdenum oxide-silica xerogel. Raman spectra of this particular sample were recorded at temperatures as high as 1173 K, and compared with those of a reference material.(author) 3 figs., 4 refs.

  4. Spectroscopy investigation of nanostructured nickel–zinc ferrite obtained by mechanochemical synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Lazarević, Zorica Ž., E-mail: lzorica@yahoo.com [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Milutinović, Aleksandra N. [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Jovalekić, Čedomir D. [The Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, Belgrade (Serbia); Ivanovski, Valentin N. [Institute of Nuclear Sciences Vinča, University of Belgrade, P.O. Box 522, 11001 Belgrade (Serbia); Daneu, Nina [Department for Nanostructured Materials, Jožef Stefan Institute, Ljubljana (Slovenia); Mađarević, Ivan [Institute of Nuclear Sciences Vinča, University of Belgrade, P.O. Box 522, 11001 Belgrade (Serbia); Romčević, Nebojša Ž. [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia)

    2015-03-15

    Highlights: • Nano powder of Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} prepared by a soft mechanochemicaly after 10 h milling. • Phase formation controlled by XRD, Raman and IR spectroscopy. • Spectroscopy measurements indicate that the prepared samples have spinel structure. • The average particles size are found to be around 20 nm. • The degree of inversion is δ = 0.36 for NZF obtained from hydroxides for 10 h. - Abstract: Nano crystalline samples of nickel–zinc ferrite, Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} were prepared by mechanochemical route in a planetary ball mill starting from two mixtures of the appropriate quantities of the powders: case (1) oxide powders: NiO, ZnO and α-Fe{sub 2}O{sub 3} in one case, and in the second case (2) hydroxide powders: Ni(OH){sub 2}, Zn(OH){sub 2} and Fe(OH){sub 3}. In order to monitor the progress of chemical reaction and confirm phase formation, powder samples obtained after 5 h and 10 h of milling were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), Raman, IR and Mössbauer spectroscopy. It is shown that the soft mechanochemical method, i.e. mechanochemical activation of hydroxides, produces high quality single phase Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} samples in much more efficient way. From the IR spectroscopy of single phase samples it is obvious that energy of modes depends on the ratio of cations. The deconvolution of Raman spectra allows to separate contributions of different cations to a particular type of vibration and to estimate the degree of inversion.

  5. Development and use of compact instruments for tropospheric investigations based on optical spectroscopy from mobile platforms

    OpenAIRE

    Merlaud, Alexis

    2013-01-01

    This thesis presents the development of four different remote-sensing instruments dedicated to atmospheric research and their use in field campaigns between 2008 and 2012. The instruments are based on uv-visible spectrometers and installed respectively on a scientific aircraft (Safire ATR-42), ultralight aircraft, and cars. One of the instruments is targeted to operate from an Unmanned Aerial Vehicle (UAV). The Differential Optical Absorption Spectroscopy (DOAS) technique is used to quantify ...

  6. Remote Laser Induced Breakdown Spectroscopy (LIBS) Geochemical Investigation under Venus Atmospheric Conditions

    Science.gov (United States)

    Clegg, S. M.; Barefield, J. E.; Humphries, S.; Wiens, R. C.; Vaniman, D.; Dyar, M. D.; Tucker, J. M.; Sharma, S. K.; Misra, A. K.

    2009-12-01

    The extreme Venus surface temperature (740 K) and atmospheric pressure (93 atm) creates a challenging environment for future lander missions. Scientific investigations capable of Venus geochemical observations must be completed within several hours of landing before the lander is overcome by the harsh atmosphere. A combined remote Raman - LIBS (Laser Induced Breakdown Spectroscopy) instrument is capable of accomplishing geochemical science goals without the risks associated with collecting samples and bringing them into the lander. Wiens et al. [1] and Sharma et al. [2] have demonstrated that both analytical techniques can be integrated into a single instrument capable of planetary missions. The focus of this paper is to explore the capability to probe geologic samples with LIBS and demonstrate the quantitative analysis under Venus surface conditions. The LIBS experiment involves focusing a Nd:YAG laser operating at 1064 nm onto the surface of the sample. The laser ablates material from the surface, generating a plasma containing electronically excited atoms, ions and small molecules. Some of this emission is collected with an 89 mm diameter telescope. The light is directed into a Princeton Instruments f/4 0.25 m dispersive spectrometer and recorded with an ICCD detector. The powdered and pelletized samples are placed in a pressure vessel containing supercritical CO2 at 93 atm and at least 423 K and the vessel is placed at least 1.6 m from the telescope and laser. A range of Venus-analog basaltic rock types [3] was chosen for this study to reproduce compositions identified by Soviet Venera and VEGA landers, including several standards: four basalts (BCR-2, BIR-1, GUWBM, JB-2), granite (GBW 07015), andesite (JA-1), carbonate (SARM-40), and Kauai volcanic (KV04-17, KV04-25). We also added a good Venus analog, TAP 04, which is an alkali-rich rock from an olivine minette in the Ayutla volcanic field (Righter and Rosas-Elguera [4]). Our goal was to study samples with a

  7. Evolution of N/O Abundance Ratios and Ionization Parameters from z~0 to 2 Investigated by the Direct Temperature Method

    CERN Document Server

    Kojima, Takashi; Nakajima, Kimihiko; Shibuya, Takatoshi; Harikane, Yuichi; Ono, Yoshiaki

    2016-01-01

    We present N/O abundance ratios, ionization parameters $q_{\\rm ion}$, and oxygen abundance O/H of eleven $z\\sim 2$ galaxies determined by the direct temperature $T_{\\rm e}$ method with [OIII] $\\lambda$4363 and OIII] $\\lambda$1665 lines, and investigate galaxy evolution from $z\\sim 0$ to $2$ in conjunction with $T_{\\rm e}$-method measurements of 208,529 SDSS galaxies and 9 green pea galaxies (GPs). We identify that three out of our eleven $z\\sim 2$ galaxies clearly fall beyond the local average of N/O-O/H and N/O-stellar mass ($M_{\\star}$) relations, while the rest of the $z\\sim 2$ galaxies have N/O ratios comparable with $z\\sim 0$ galaxies. The eleven $z\\sim 2$ galaxies place the upper limit of N/O ratio $\\log ({\\rm N/O})\\le -1.28$ on average, suggesting that the N/O ratio evolves, if any, by $<0.15$ dex. We find that two of our $z\\sim 2$ galaxies with the significant BPT offsets show both N/O ratio and $q_{\\rm ion}$ about 0.4-dex higher than the local average, while there exist $z\\sim 0$ green-pea galaxie...

  8. Investigation of electrically-active deep levels in single-crystalline diamond by particle-induced charge transient spectroscopy

    Science.gov (United States)

    Kada, W.; Kambayashi, Y.; Ando, Y.; Onoda, S.; Umezawa, H.; Mokuno, Y.; Shikata, S.; Makino, T.; Koka, M.; Hanaizumi, O.; Kamiya, T.; Ohshima, T.

    2016-04-01

    To investigate electrically-active deep levels in high-resistivity single-crystalline diamond, particle-induced charge transient spectroscopy (QTS) techniques were performed using 5.5 MeV alpha particles and 9 MeV carbon focused microprobes. For unintentionally-doped (UID) chemical vapor deposition (CVD) diamond, deep levels with activation energies of 0.35 eV and 0.43 eV were detected which correspond to the activation energy of boron acceptors in diamond. The results suggested that alpha particle and heavy ion induced QTS techniques are the promising candidate for in-situ investigation of deep levels in high-resistivity semiconductors.

  9. Using Low Temperature Photoluminescence Spectroscopy to Investigate CH3NH3PbI3 Hybrid Perovskite Degradation

    Directory of Open Access Journals (Sweden)

    Khaoula Jemli

    2016-07-01

    Full Text Available Investigating the stability and evaluating the quality of the CH3NH3PbI3 perovskite structures is quite critical both to the design and fabrication of high-performance perovskite devices and to fundamental studies of the photophysics of the excitons. In particular, it is known that, under ambient conditions, CH3NH3PbI3 degrades producing some PbI2. We show here that low temperature Photoluminescence (PL spectroscopy is a powerful tool to detect PbI2 traces in hybrid perovskite layers and single crystals. Because PL spectroscopy is a signal detection method on a black background, small PbI2 traces can be detected, when other methods currently used at room temperature fail. Our study highlights the extremely high stability of the single crystals compared to the thin layers and defects and grain boundaries are thought to play an important role in the degradation mechanism.

  10. Electronic structure of AlCrN films investigated using various photoelectron spectroscopies and ab initio calculations

    Science.gov (United States)

    Tatemizo, N.; Imada, S.; Miura, Y.; Yamane, H.; Tanaka, K.

    2017-03-01

    The valence band (VB) structures of wurtzite AlCrN (Cr concentration: 0-17.1%), which show optical absorption in the ultraviolet-visible-infrared light region, were investigated via photoelectron yield spectroscopy (PYS), x-ray/ultraviolet photoelectron spectroscopy (XPS/UPS), and ab initio density of states (DOS) calculations. An obvious photoelectron emission threshold was observed ~5.3 eV from the vacuum level for AlCrN, whereas no emission was observed for AlN in the PYS spectra. Comparisons of XPS and UPS VB spectra and the calculated DOS imply that Cr 3d states are formed both at the top of the VB and in the AlN gap. These data suggest that Cr doping could be a viable option to produce new materials with relevant energy band structures for solar photoelectric conversion.

  11. Investigation of Diode Pumped Alkali Laser Atmospheric Transmission Using Tunable Diode Laser Absorption Spectroscopy

    Science.gov (United States)

    2012-09-01

    House Appropriations hearing on May 20th, 2010 where Robert Gates, then U.S. Secretary of Defense, said the following in answer to a question from Rep...Henry, B. P. Wert, T. Gilpin , and J. R. Drummond. “Tunable diode laser absorption spectrometer for ground-based measurements of formaldehyde”. Journal...spectroscopy (TDLAS) at 1.37 µm”. Applied Physics B: Lasers and Optics, 92(3):393–401, 2008. 43. Kormann, Robert , Horst Fischer, and Frank G. Wienhold

  12. Structural Investigation of SBGESE Glasses by High Resolution X-Ray Photoelectron Spectroscopy

    Directory of Open Access Journals (Sweden)

    R. Golovchak

    2011-01-01

    Full Text Available The evolution of the structure of Sb8Ge32Se60 (Z=2.72 and Sb20Ge20Se60 (Z=2.60 chalcogenide glasses is determined by high resolution X-ray photoelectron spectroscopy. Glasses with Z=2.60 the structure consists of deformed tetrahedra and pyramids, in which at least one Se atom is substituted by Ge or Sb atom. For the Z=2.72 structure consisting of shared pyramids and tetrahedra with two or more Se atoms substituted by the cations. At the same time, Se-Se dimers are present in both compositions.

  13. Stereochemical investigations on the diketopiperazine derivatives of enalapril and lisinopril by NMR spectroscopy

    Science.gov (United States)

    Demeter, Ádám; Fodor, Tamás; Fischer, János

    1998-11-01

    Stereochemical analysis of epimeric diketopiperazine (DKP) derivatives of enalapril and lisinopril has been performed by NMR spectroscopy. The present study focuses on the configurational assignment and conformational characteristics of the epimeric DKPs obtained from cyclization and subsequent base-catalyzed hydrolysis. We report full 1H and 13C assignments as obtained by a concerted use of 1D and 2D methods. The configuration of the respective stereogenic centres and the main conformational features were derived from the measured scalar and NOE connections. One conspicuous conformational feature of the sidechain is its tendency to bend over the piperazinedione ring.

  14. Investigation of Temperature and Aging Effects in Nanostructured Dye Solar Cells Studied by Electrochemical Impedance Spectroscopy

    Directory of Open Access Journals (Sweden)

    Minna Toivola

    2009-01-01

    Full Text Available Effects of aging and cyclically varying temperature on the electrical parameters of dye solar cells were analyzed with electrochemical impedance spectroscopy. Photoelectrode total resistance increased as a function of time due to increasing electron transport resistance in the TiO2 film. On the other hand, photoelectrode recombination resistance was generally larger, electron lifetimes in the TiO2 were film longer, and charge transfer resistance on the counter electrode was smaller after the temperature treatments than before them. These effects correlated with the slower deterioration rate of the temperature-treated cells, in comparison to the reference cells.

  15. Photodissociation of sodium iodide and resonant ionization of sodium atom produced

    Institute of Scientific and Technical Information of China (English)

    HUO Bing-hai; Z.T.Salim; A.H.Bakery

    2004-01-01

    Resonant ionization spectroscopy (RIS) and resonant ionization mass spectroscopy (RIMS) are employed to detect the photodissociation product of sodium iodide molecules in a molecular beam in an intense laser field in the absence of the buffer gases. Time of flight mass spectra is recorded. In particular, the appearances of multiphoton ionization are discussed.

  16. Breakdown Products of Gaseous Polycyclic Aromatic Hydrocarbons Investigated with Infrared Ion Spectroscopy

    Science.gov (United States)

    Petrignani, A.; Vala, M.; Eyler, J. R.; Tielens, A. G. G. M.; Berden, G.; van der Meer, A. F. G.; Redlich, B.; Oomens, J.

    2016-07-01

    We report on a common fragment ion formed during the electron-ionization-induced fragmentation of three different three-ring polycyclic aromatic hydrocarbons (PAHs), fluorene (C13H10), 9,10-dihydrophenanthrene (C14H12), and 9,10-dihydroanthracene (C14H12). The infrared spectra of the mass-isolated product ions with m/z = 165 were obtained in a Fourier transform ion cyclotron resonance mass spectrometer whose cell was placed inside the optical cavity of an infrared free-electron laser, thus providing the high photon fluence required for efficient infrared multiple-photon dissociation. The infrared spectra of the m/z = 165 species generated from the three different precursors were found to be similar, suggesting the formation of a single {{{C}}}13{{{{H}}}9}+ isomer. Theoretical calculations using density functional theory (DFT) revealed the fragment's identity as the closed-shell fluorenyl cation. Decomposition pathways from each parent precursor to the fluorenyl ion are proposed on the basis of DFT calculations. The identification of a single fragmentation product from three different PAHs supports the notion of the existence of common decomposition pathways of PAHs in general and can aid in understanding the fragmentation chemistry of astronomical PAH species.

  17. X-ray absorption spectroscopy investigation of structurally modified lithium niobate crystals

    Energy Technology Data Exchange (ETDEWEB)

    Vitova, Tonya

    2008-02-15

    The type and concentration of impurity centers in different valence states are crucial for tuning the photorefractive properties of doped Lithium Niobate (LN) crystals. X-ray Absorption Spectroscopy (XAS) is an appropriate tool for studying the local structure of impurity centers. XAS combined with absorption in UV/VIS/IR and High Resolution X-ray Emission Spectroscopy (HRXES) provide information about the valence state of the dopant ions in as-grown, reduced or oxidized doped LN crystals. Cu (Cu{sup 1+} and Cu{sup 2+}) and Fe (Fe{sup 2+} and Fe{sup 3+}) atoms are found in two different valence states, whereas there are indications for a third Mn valency, in addition to Mn{sup 2+} and Mn{sup 3+} in manganese-doped LN crystals. One of the charge compensation mechanisms during reduction of copper- doped LN crystals is outgassing of oxygen atoms. Cu ions in the reduced crystals have at least two different site symmetries: twofold (Cu{sup 1+}) and sixfold (Cu{sup 2+}) coordinated by O atoms. Fe and Mn atoms are coordinated by six O atoms. Cu and Fe ions are found to occupy only Li sites, whereas Mn ions are also incorporated into Li and Nb sites. The refractive index change in LN crystals irradiated with {sup 3}He{sup 2+} ions is caused by structurally disordered centers, where Nb atoms are displaced from normal crystallographic sites and Li or/and O vacancies are present. (orig.)

  18. Investigation of Rhodopsin Dynamics in its Signaling State by Solid-State Deuterium NMR Spectroscopy

    Science.gov (United States)

    Struts, Andrey V.; Chawla, Udeep; Perera, Suchithranga M.D.C.; Brown, Michael F.

    2017-01-01

    Site-directed deuterium NMR spectroscopy is a valuable tool to study the structural dynamics of biomolecules in cases where solution NMR is inapplicable. Solid-state 2H NMR spectral studies of aligned membrane samples of rhodopsin with selectively labeled retinal provide information on structural changes of the chromophore in different protein states. In addition, solid-state 2H NMR relaxation time measurements allow one to study the dynamics of the ligand during the transition from the inactive to the active state. Here we describe the methodological aspects of solid-state 2H NMR spectroscopy for functional studies of rhodopsin, with an emphasis on the dynamics of the retinal cofactor. We provide complete protocols for the preparation of NMR samples of rhodopsin with 11-cis-retinal selectively deuterated at the methyl groups in aligned membranes. In addition, we review optimized conditions for trapping the rhodopsin photointermediates; and lastly we address the challenging problem of trapping the signaling state of rhodopsin in aligned membrane films. PMID:25697522

  19. Comparison of microbial communities in Lake Tahoe surface sample with Tonga Trench water column samples using High Pressure Liquid Chromatography - Electrospray Ionization - Mass Spectroscopy (HPLC - ESI - MS) and Global Natural Products Social Molecular Network (GNPS)

    Science.gov (United States)

    Belmonte, M. A.

    2015-12-01

    Intact polar lipids (IPLs) are lipids composed of a head group, a glycerol, and a fatty acid chain that make up the lipid bilayer of cell membranes in living cells; and the varying head groups can be indicative of the type of microbes present in the environment (Van Mooy 2010). So by distinguishing and identifying the IPL distribution in an environment one can make inferences about the microbial communities in the said environment. In this study, we used High Pressure Liquid Chromatography-Electrospray Ionization- Mass Spectroscopy (HPLC-ESI-MS) and Global Natural Products Social Molecular Networking (GNPS) to compare the IPL distributions of two oligotrophic environments: surface waters of Lake Tahoe in the Sierra Nevada Mountains, and the water column of the Tonga Trench in the South Pacific. We hypothesized that the similar nutrient dynamics of the two oligotrophic environments would result in similar eukaryotic and prokaryotic communities, which would be reflected in the IPL composition of suspended particulate organic matter (POM). For simplicity we focused on the classes of IPLs most commonly observed in the marine environment: phosphotidylglycerol (PG), phosphotidylethanolamine (PE), diacylglyceryl-trimethyl-homoserine (DGTS), diacylglyceryl-hydroxymethyl-trimethylalanine (DGTA), sulfoquinovosyldiacylglycerol (SQDG), monoglycosyldiacylglycerol (MGDG) and diglycosyldiacylglycerol (DGDG). Our results showed that all of the marine IPLs of interest were present in Lake Tahoe which confirms that there are many of the same microbial communities in the fresh waters of Lake Tahoe and the salt waters Tonga Trench.

  20. FIRST INVESTIGATION OF THE COMBINED IMPACT OF IONIZING RADIATION AND MOMENTUM WINDS FROM A MASSIVE STAR ON A SELF-GRAVITATING CORE

    Energy Technology Data Exchange (ETDEWEB)

    Ngoumou, Judith; Hubber, David; Dale, James E.; Burkert, Andreas, E-mail: ngoumou@usm.uni-muenchen.de [Universitäts-Sternwarte München, Ludwig-Maximilians-Universität, Scheinerstrasse 1, D-81679 München (Germany)

    2015-01-01

    Massive stars shape the surrounding interstellar matter (ISM) by emitting ionizing photons and ejecting material through stellar winds. To study the impact of the momentum from the wind of a massive star on the surrounding neutral or ionized material, we implemented a new HEALPix-based momentum-conserving wind scheme in the smoothed particle hydrodynamics (SPH) code SEREN. A qualitative study of the impact of the feedback from an O7.5-like star on a self-gravitating sphere shows that on its own, the transfer of momentum from a wind onto cold surrounding gas has both a compressing and dispersing effect. It mostly affects gas at low and intermediate densities. When combined with a stellar source's ionizing ultraviolet (UV) radiation, we find the momentum-driven wind to have little direct effect on the gas. We conclude that during a massive star's main sequence, the UV ionizing radiation is the main feedback mechanism shaping and compressing the cold gas. Overall, the wind's effects on the dense gas dynamics and on the triggering of star formation are very modest. The structures formed in the ionization-only simulation and in the combined feedback simulation are remarkably similar. However, in the combined feedback case, different SPH particles end up being compressed. This indicates that the microphysics of gas mixing differ between the two feedback simulations and that the winds can contribute to the localized redistribution and reshuffling of gas.

  1. Investigation and performance tests of a new parallel plate ionization chamber with double sensitive volume for measuring diagnostic X-rays

    Science.gov (United States)

    Sharifi, B.; Zamani Zeinali, H.; Soltani, J.; Negarestani, A.; Shahvar, A.

    2015-01-01

    Medical diagnostic equipment, like diagnostic radiology and mammography require a dosimeter with high accuracy for dosimetry of the diagnostic X-ray beam. Ionization chambers are suitable instruments for dosimetry of diagnostic-range X-ray beams because of their appropriate response and high reliability. This work introduces the design and fabrication of a new parallel plate ionization chamber with a PMMA body, graphite-coated PMMA windows (0.5 mm thick) and a graphite-foil central electrode (0.1 mm thick, 0.7 g/cm3 dense). This design improves upon the response characteristics of existing designs through the specific choice of materials as well as the appropriate size and arrangement of the ionization chamber components. The results of performance tests conducted at the Secondary Standard Dosimetry laboratory in Karaj-Iran demonstrated the short and long-term stability, the low leakage current, the low directional dependence, and the high ion collection efficiency of the design. Furthermore, the FLUKA Monte Carlo simulations confirmed the low effect of central electrode on this new ionization chamber response. The response characteristics of the parallel plate ionization chamber presented in this work makes the instrument suitable for use as a standard dosimeter in laboratories.

  2. Investigation and performance tests of a new parallel plate ionization chamber with double sensitive volume for measuring diagnostic X-rays

    Energy Technology Data Exchange (ETDEWEB)

    Sharifi, B., E-mail: babak_sharifi88@yahoo.com [Graduate University of Advanced Technology, Kerman (Iran, Islamic Republic of); Zamani Zeinali, H. [Application of Radiation Research School, Nuclear Science and Technology Research Institute, AEOI, Karaj (Iran, Islamic Republic of); Soltani, J.; Negarestani, A. [Graduate University of Advanced Technology, Kerman (Iran, Islamic Republic of); Shahvar, A. [Application of Radiation Research School, Nuclear Science and Technology Research Institute, AEOI, Karaj (Iran, Islamic Republic of)

    2015-01-11

    Medical diagnostic equipment, like diagnostic radiology and mammography require a dosimeter with high accuracy for dosimetry of the diagnostic X-ray beam. Ionization chambers are suitable instruments for dosimetry of diagnostic-range X-ray beams because of their appropriate response and high reliability. This work introduces the design and fabrication of a new parallel plate ionization chamber with a PMMA body, graphite-coated PMMA windows (0.5 mm thick) and a graphite-foil central electrode (0.1 mm thick, 0.7 g/cm{sup 3} dense). This design improves upon the response characteristics of existing designs through the specific choice of materials as well as the appropriate size and arrangement of the ionization chamber components. The results of performance tests conducted at the Secondary Standard Dosimetry laboratory in Karaj-Iran demonstrated the short and long-term stability, the low leakage current, the low directional dependence, and the high ion collection efficiency of the design. Furthermore, the FLUKA Monte Carlo simulations confirmed the low effect of central electrode on this new ionization chamber response. The response characteristics of the parallel plate ionization chamber presented in this work makes the instrument suitable for use as a standard dosimeter in laboratories.

  3. Investigation and Applications of In-Source Oxidation in Liquid Sampling-Atmospheric Pressure Afterglow Microplasma Ionization (LS-APAG) Source.

    Science.gov (United States)

    Xie, Xiaobo; Wang, Zhenpeng; Li, Yafeng; Zhan, Lingpeng; Nie, Zongxiu

    2016-12-19

    A liquid sampling-atmospheric pressure afterglow microplasma ionization (LS-APAG) source is presented for the first time, which is embedded with both electrospray ionization (ESI) and atmospheric pressure afterglow microplasma ionization (APAG) techniques. This ion source is capable of analyzing compounds with diverse molecule weights and polarities. An unseparated mixture sample was detected as a proof-of-concept, giving complementary information (both polarities and non-polarities) with the two ionization modes. It should also be noted that molecular mass can be quickly identified by ESI with clean and simple spectra, while the structure can be directly studied using APAG with in-source oxidation. The ionization/oxidation mechanism and applications of the LS-APAG source have been further explored in the analysis of nonpolar alkanes and unsaturated fatty acids/esters. A unique [M + O - 3H](+) was observed in the case of individual alkanes (C5-C19) and complex hydrocarbons mixture under optimized conditions. Moreover, branched alkanes generated significant in-source fragments, which could be further applied to the discrimination of isomeric alkanes. The technique also facilitates facile determination of double bond positions in unsaturated fatty acids/esters due to diagnostic fragments (the acid/ester-containing aldehyde and acid oxidation products) generated by on-line ozonolysis in APAG mode. Finally, some examples of in situ APAG analysis by gas sampling and surface sampling were given as well. Graphical Abstract ᅟ.

  4. Ultrafast Transient Absorption Spectroscopy Investigation of Photoinduced Dynamics in Novel Donor-Acceptor Core-Shell Nanostructures for Organic Photovoltaics

    Science.gov (United States)

    Strain, Jacob; Jamhawi, Abdelqader; Abeywickrama, Thulitha M.; Loomis, Wendy; Rathnayake, Hemali; Liu, Jinjun

    2016-06-01

    Novel donor-acceptor nanostructures were synthesized via covalent synthesis and/or UV cross-linking method. Their photoinduced dynamics were investigated with ultrafast transient absorption (TA) spectroscopy. These new nanostructures are made with the strategy in mind to reduce manufacturing steps in the process of fabricating an organic photovoltaic cell. By imitating the heterojunction interface within a fixed particle domain, several fabrication steps can be bypassed reducing cost and giving more applicability to other film deposition methods. Such applications include aerosol deposition and ink-jet printing. The systems that were studied by TA spectroscopy include PDIB core, PDIB-P3HT core-shell, and PDIB-PANT core-shell which range in size from 60 to 130 nm. Within the experimentally accessible spectra range there resides a region of ground state bleaching, stimulated emission, and excited-state absorption of both neutrals and anions. Control experiments have been carried out to assign these features. At high pump fluences the TA spectra of PDIB core alone also indicate an intramolecular charge separation. The TA spectroscopy results thus far suggest that the core-shells resemble the photoinduced dynamics of a standard film although the particles are dispersed in solution, which indicates the desired outcome of the work.

  5. Investigation on the photo-induced de-oxygenation process of myoglobin in aqueous solution by use of fluorescence spectroscopy

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    A photo-induced de-oxygenation process of myoglobin (Mb) in aqueous solution was investigated by use of fluorescence spectroscopy. The spectra are characterized by the fluorescence intensity declining gradually after each scan,and the decay of fluorescence intensity being significant in each scan,which is assigned to the release of oxygen from the opening of the heme-pockets induced by illumination. More illumination will cause more release of oxygen; if the temperature of an Mb solution is increased when it is illuminated,the rate of de-oxygenation will be higher. It was found that ligand-oxygen in Fe-porphyrin could be removed from Mb by nitrogen. This indicates that the interac-tion between oxy-Mb and other different gases can be tested by the method of fluorescence spectros-copy. In addition,fluorescence spectroscopy can be employed to probe the energy transfer between Fe-porphyrin and tryptophan or tyrosine in Mb molecules.

  6. Electrochemical impedance spectroscopy investigation on indium tin oxide films under cathodic polarization in NaOH solution

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Wenjiao; Cao, Si; Yang, Yanze; Wang, Hao; Li, Jin; Jiang, Yiming, E-mail: corrosion@fudan.edu.cn

    2012-09-30

    The electrochemical corrosion behaviors of indium tin oxide (ITO) films under the cathodic polarization in 0.1 M NaOH solution were investigated by electrochemical impedance spectroscopy. The as-received and the cathodically polarized ITO films were characterized by scanning electron microscopy, energy dispersive X-ray spectroscopy and X-ray diffraction for morphological, compositional and structural studies. The results showed that ITO films underwent a corrosion process during the cathodic polarization and the main component of the corrosion products was body-centered cubic indium. The electrochemical impedance parameters were related to the effect of the cathodic polarization on the ITO specimens. The capacitance of ITO specimens increased, while the charge transfer resistance and the inductance decreased with the increase of the polarization time. The proposed mechanism indicated that the corrosion products (metallic indium) were firstly formed during the cathodic polarization and then absorbed on the surface of the ITO film. As the surface was gradually covered by indium particles, the corrosion process was suppressed. - Highlights: Black-Right-Pointing-Pointer Cathodic polarization of indium tin oxide (ITO) in 0.1 M NaOH. Black-Right-Pointing-Pointer Cathodic polarization studied with electrochemical impedance spectroscopy. Black-Right-Pointing-Pointer ITO underwent a corrosion attack during cathodic polarization, indium was observed. Black-Right-Pointing-Pointer Electrochemical parameters of ITO were obtained using equivalent electrical circuit. Black-Right-Pointing-Pointer A corrosion mechanism is proposed.

  7. Interface Energy Alignment of Atomic-Layer-Deposited VOx on Pentacene: an in Situ Photoelectron Spectroscopy Investigation.

    Science.gov (United States)

    Zhao, Ran; Gao, Yuanhong; Guo, Zheng; Su, Yantao; Wang, Xinwei

    2017-01-18

    Ultrathin atomic-layer-deposited (ALD) vanadium oxide (VOx) interlayer has recently been demonstrated for remarkably reducing the contact resistance in organic electronic devices (Adv. Funct. Mater. 2016, 26, 4456). Herein, we present an in situ photoelectron spectroscopy investigation (including X-ray and ultraviolet photoelectron spectroscopies) of ALD VOx grown on pentacene to understand the role of the ALD VOx interlayer for the improved contact resistance. The in situ photoelectron spectroscopy characterizations allow us to monitor the ALD growth process of VOx and trace the evolutions of the work function, pentacene HOMO level, and VOx defect states during the growth. The initial VOx growth is found to be partially delayed on pentacene in the first ∼20 ALD cycles. The underneath pentacene layer is largely intact after ALD. The ALD VOx is found to contain a high density of defect states starting from 0.67 eV below the Fermi level, and the energy level of these defect states is in excellent alignment with the HOMO level of pentacene, which therefore allows these VOx defect states to provide an efficient hole-injection pathway at the contact interface.

  8. Interaction between a cationic porphyrin and ctDNA investigated by SPR, CV and UV-vis spectroscopy.

    Science.gov (United States)

    Xu, Zi-Qiang; Zhou, Bo; Jiang, Feng-Lei; Dai, Jie; Liu, Yi

    2013-10-01

    The interaction between ctDNA and a cationic porphyrin was studied in this work. The binding process was monitored by surface plasmon resonance (SPR) spectroscopy in detail. The association, dissociation rate constants and the binding constants calculated by global analysis were 2.4×10(2)±26.4M(-1)s(-1), 0.011±0.0000056s(-1) and 2.18×10(4)M(-1), respectively. And the results were confirmed by cyclic voltammetry and UV-vis absorption spectroscopy. The binding constants obtained from cyclic voltammetry and UV-vis absorption spectroscopy were 8.28×10(4)M(-1) and 6.73×10(4)M(-1) at 298K, respectively. The covalent immobilization methodology of ctDNA onto gold surface modified with three different compounds was also investigated by SPR. These compounds all contain sulfydryl but with different terminated functional groups. The results indicated that the 11-MUA (HS(CH2)10COOH)-modified gold film is more suitable for studying the DNA-drug interaction.

  9. Investigation of Ag2O Thermal Decomposition by Terahertz Time-Domain Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    CHEN Hua; WANG Li

    2009-01-01

    Application of terahertz time-domain spectroscopy is demonstrated to study the process of Ag2O thermal decomposition. In the process of decomposition, the time-resolved signals are characterized by broad oscillations and decreased intensity, and THz pulse essentially contains two broad spectral components: one centered at around 0.35 THz and a band with a maximum at around 0.81 THz shift to 0.71 THz. Optical absorption spectra of different specimens are studied in the frequency range 0.3-1.4 THz and the data are analyzed by the relevant theory of the effective medium approach combined with the Drude-Lorentz model. The analysis suggests that optical properties stem from the Drude term for the metallic phase and the Lorentz term for the insulator phase in the complex system.

  10. Clustering mechanism of ethanol-water mixtures investigated with photothermal microfluidic cantilever deflection spectroscopy

    Science.gov (United States)

    Ghoraishi, M. S.; Hawk, J. E.; Phani, Arindam; Khan, M. F.; Thundat, T.

    2016-04-01

    The infrared-active (IR) vibrational mode of ethanol (EtOH) associated with the asymmetrical stretching of the C-C-O bond in pico-liter volumes of EtOH-water binary mixtures is calorimetrically measured using photothermal microfluidic cantilever deflection spectroscopy (PMCDS). IR absorption by the confined liquid results in wavelength dependent cantilever deflections, thus providing a complementary response to IR absorption revealing a complex dipole moment dependence on mixture concentration. Solvent-induced blue shifts of the C-C-O asymmetric vibrational stretch for both anti and gauche conformers of EtOH were precisely monitored for EtOH concentrations ranging from 20–100% w/w. Variations in IR absorption peak maxima show an inverse dependence on induced EtOH dipole moment (μ) and is attributed to the complex clustering mechanism of EtOH-water mixtures.

  11. Structure of a model salt bridge in solution investigated with 2D-IR spectroscopy

    CERN Document Server

    Huerta-Viga, Adriana; Amirjalayer, Saeed; Woutersen, Sander

    2013-01-01

    Salt bridges are known to be important for the stability of protein conformation, but up to now it has been difficult to study their geometry in solution. Here we characterize the spatial structure of a model salt bridge between guanidinium (Gdm+) and acetate (Ac-) using two-dimensional vibrational (2D-IR) spectroscopy. We find that as a result of salt bridging the infrared response of Gdm+ and Ac- change significantly, and in the 2D-IR spectrum, salt bridging of the molecules appears as cross peaks. From the 2D-IR spectrum we determine the relative orientation of the transition-dipole moments of the vibrational modes involved in the salt bridge, as well as the coupling between them. In this manner we reconstruct the geometry of the solvated salt bridge.

  12. Theoretical investigation on Raman induced Kerr effect spectroscopy in nonlinear confocal microscopy

    Institute of Scientific and Technical Information of China (English)

    Gun LiNa; TANG ZhiLie; XING Da

    2008-01-01

    The imaging theory of Raman induced Kerr effect spectroscopy (RIKES) in nonlinear confocal microscopy is presented in this paper. Three-dimensional point spread function (3D-PSF) of RIKES nonlinear confocal microscopy in isotropic media is derived with Fourier imaging theory and RIKES theory. The impact of nonlinear property of RIKES on the spatial resolution and imaging properties of confocal microscopy have been analyzed in detail. It is proved that RIKES nonlinear confocal microscopy can simultaneously provide more information than twophoton confocal microscopy concerning molecular vibration mode, vibration orientation and optically induced molecular reorientation, etc. It is shown that RIKES nonlinear confocal microscopy significantly enhances the spatial resolution and imaging quality of confocal microscopy and achieves much higher resolution than that of two-photon confocal microscopy.

  13. Investigations of Deep-Level Fe-centres in Si by Mössbauer Spectroscopy

    CERN Multimedia

    Dietrich, M

    2002-01-01

    %IS359\\\\ \\\\Electronic, vibrational and diffusional properties of interstitial and substitutional Fe impurities in silicon are studied by $ ^{57} $Fe Mössbauer emission spectroscopy utilizing implanted radioactive $ ^{57}$Mn$^{+} $ parent ions from ISOLDE as probe atoms. Thus the electronic charge density and the impurity mean-square vibrational amplitude shall be determined for substitutional Fe$_{s} $ and for interstitial Fe$_{i}^{0/+} $ in its two different charge states. These quantities are complementary to previously determined hyperfine interaction parameters and are expected to shed light on the nature of the deviations between calculated and measured parameters. The supposedly different diffusivities of interstitial Fe$_{i}^{0} $ and Fe$_{i}^{+} $ shall be measured by the broadening of the Mössbauer lines, i.e. at a temperature where diffusion jumps occur on an atomic scale within the lifetime of the Mössbauer state.

  14. The precipitation process in Mg-Ca-(Zn) alloys investigated by positron annihilation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ortega, Yanicet [Departamento de Fisica, Universidad Carlos III de Madrid, 28911 Leganes (Spain); Departamento de Fisica de Materiales, Facultad de Ciencias Fisicas, Universidad Complutense de Madrid, 28040 Madrid (Spain)], E-mail: yanicet@fis.ucm.es; Monge, Miguel Angel; Pareja, Ramiro [Departamento de Fisica, Universidad Carlos III de Madrid, 28911 Leganes (Spain)

    2008-09-08

    Coincidence doppler broadening (CDB) spectroscopy has been applied to study the precipitation process induced by aging in Mg-1.0 wt.% Ca and Mg-1.0 wt.% Ca-1.0 wt.% Zn alloys. In addition positron lifetime experiments and microhardness measurements have been performed. A peak centered at {approx}11.5 x 10{sup -3}m{sub 0}c is found in the CDB ratio spectra of the alloys aged at 473 K. It is attributed to annihilations with the core electrons of Ca. The results indicate the formation of a particle dispersion that hardens the alloys. This dispersion is correlated with the appearance of the peak attributed to Ca atoms. Zn atoms in the Mg matrix inhibit the formation of quenched-in vacancies bound to Ca atoms in the aged ternary alloy producing the dispersion refinement.

  15. Mössbauer spectroscopy in the investigation of new mineral-related materials

    Science.gov (United States)

    Berry, Frank J.; de Laune, Benjamin P.; Greaves, Colin; Whitaker, Mariana J.; Thomas, Michael F.; Marco, José F.

    2014-04-01

    New materials based on the composition of the mineral schafarzikite, FeSb, have been synthesised. Fe- and Sb- Mössbauer spectroscopy shows that iron is present as Fe and that antimony is present as Sb. The presence of Pb on the antimony sites in materials of composition FeSbPb induces partial oxidation of Feto Fe. The quasi-one-dimensional magnetic structure of schafarzikite is retained in FeSbPb and gives rise to weakly coupled non-magnetic Fe ions coexisting with Fe ions in a magnetically ordered state. A similar model can be applied to account for the spectra recorded from the compound CoFeSbPb.

  16. Investigation of polymer electrolyte membrane chemical degradation and degradation mitigation using in situ fluorescence spectroscopy.

    Science.gov (United States)

    Prabhakaran, Venkateshkumar; Arges, Christopher G; Ramani, Vijay

    2012-01-24

    A fluorescent molecular probe, 6-carboxy fluorescein, was used in conjunction with in situ fluorescence spectroscopy to facilitate real-time monitoring of degradation inducing reactive oxygen species within the polymer electrolyte membrane (PEM) of an operating PEM fuel cell. The key requirements of suitable molecular probes for in situ monitoring of ROS are presented. The utility of using free radical scavengers such as CeO(2) nanoparticles to mitigate reactive oxygen species induced PEM degradation was demonstrated. The addition of CeO(2) to uncatalyzed membranes resulted in close to 100% capture of ROS generated in situ within the PEM for a period of about 7 h and the incorporation of CeO(2) into the catalyzed membrane provided an eightfold reduction in ROS generation rate.

  17. Application of near-infrared spectroscopy to investigate brain activity: clinical research

    Science.gov (United States)

    Lichty, Wemara; Sakatania, Kaoru; Xie, Yuxiao; Zou, Huangcong

    2000-07-01

    Near infrared spectroscopy has recently been used to measure changes of optical parameters (i.e., light absorption or scattering) of brain tissue. The fact that the equipment is generally compact, portable, noninvasive, and reasonably prices makes it ideal for clinical and nonclinical evaluation and monitoring of brain function. Clinical and nonclinical studies evaluating changes related to light absorption are discussed, with an emphasis on cerebral blood oxygenation (CBO) changes and hemodynamic responses while performing cognitive tasks. With respect to the clinical studies, the focus is on variations in patterns of oxygenated hemoglobin (Oxy-Hb), deoxygentated hemoglobin (Deoxy-Hb) and Total-Hb (sum of Oxy-Hb and Deoxy-Hb). The studies about clinical applications includes research we have conducted with older adults and aphasics. Implications regarding the use of NIRS for clincal purposes are considered.

  18. Free radical scavenging activity of erdosteine metabolite I investigated by electron paramagnetic resonance spectroscopy.

    Science.gov (United States)

    Braga, Pier Carlo; Culici, Maria; Dal Sasso, Monica; Falchi, Mario; Spallino, Alessandra

    2010-01-01

    The aim of this study was to explore the antiradical activity of Met I (an active metabolite of erdosteine) containing a pharmacologically active sulphydryl group, by means of electron paramagnetic resonance (EPR) spectroscopy which has not previously been used to characterize the antiradical activity of Met I. The effects of concentrations of 20, 10, 5, 2.5, 1.25 and 0.625 microg/ml of Met I were tested against: (a) the Fenton reaction model system with EPR detection of HO.; (b) the KO2-crown ether system with EPR detection of O2-.; (c) the EPR assay based on the reduction of the Tempol radical, and (d) the EPR assay based on the reduction of Fremy's salt radical. Our findings show that the intensity of 4 different free radicals was significantly reduced in the presence of Met I, thus indicating the presence of a termination reaction between the free radicals and Met I.

  19. Theoretical investigation on Raman induced Kerr effect spectroscopy in nonlinear confocal microscopy

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The imaging theory of Raman induced Kerr effect spectroscopy (RIKES) in nonlinear confocal microscopy is presented in this paper. Three-dimensional point spread function (3D-PSF) of RIKES nonlinear confocal microscopy in isotropic media is derived with Fourier imaging theory and RIKES theory. The impact of nonlinear property of RIKES on the spatial resolution and imaging properties of confocal microscopy have been analyzed in detail. It is proved that RIKES nonlinear confocal microscopy can simultaneously provide more information than two-photon confocal microscopy concerning molecular vibration mode, vibration orientation and optically induced molecular reorientation, etc. It is shown that RIKES nonlinear confocal microscopy significantly enhances the spatial resolution and imaging quality of confocal microscopy and achieves much higher resolution than that of two-photon confocal microscopy.

  20. Bis(pentamethylcyclopentadienyl)ytterbium: An investigation of weak interactions in solution using multinuclear NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, D.J.

    1995-07-01

    NMR spectroscopy is ideal for studying weak interactions (formation enthalpy {le}20 kcal/mol) in solution. The metallocene bis(pentamethylcyclopentadienyl)ytterbium, Cp*{sub 2}Yb, is ideal for this purpose. cis-P{sub 2}PtH{sub 2}complexes (P = phosphine) were used to produce slow-exchange Cp*{sub 2}YbL adducts for NMR study. Reversible formation of (P{sub 2}PtH){sub 2} complexes from cis-P{sub 2}PtH{sub 2} complexes were also studied, followed by interactions of Cp*{sub 2}Yb with phosphines, R{sub 3}PX complexes. A NMR study was done on the interactions of Cp*{sub 2}Yb with H{sub 2}, CH{sub 4}, Xe, CO, silanes, stannanes, C{sub 6}H{sub 6}, and toluene.

  1. Organic free radicals in clathrate hydrates investigated by muon spin spectroscopy.

    Science.gov (United States)

    Percival, Paul W; Mozafari, Mina; Brodovitch, Jean-Claude; Chandrasena, Lalangi

    2014-02-20

    Very little is known about the behavior of free H atoms and small organic radicals inside clathrate hydrate structures despite the relevance of such species to combustion of hydrocarbon hydrates. Muonium is an H atom analog, essentially a light isotope of hydrogen, and can be used to probe the chemistry of H atoms and transient free radicals. We demonstrate the first application of muon spin spectroscopy to characterize radicals in clathrate hydrates. Atomic muonium was detected in hydrates of cyclopentane and tetrahydrofuran, and muoniated free radicals were detected in the hydrates of cyclopentene and 2,5-dihydrofuran, indicating rapid addition of muonium to the organic guest. Muon avoided level-crossing spectra of the radicals in hydrates are markedly different to those of the same radicals in pure organic liquids at the same temperature, and this can be explained by limited mobility of the enclathrated radicals, leading to anisotropy in the hyperfine interactions.

  2. The Optical Absorption Coefficient of Maize Grains Investigated by Photoacoustic Spectroscopy

    Science.gov (United States)

    Rodríguez-Páez, C. L.; Carballo-Carballo, A.; Rico-Molina, R.; Hernández-Aguilar, C.; Domínguez-Pacheco, A.; Cruz-Orea, A.; Moreno-Martínez, E.

    2017-01-01

    In the maize and tortilla industry, it is important to characterize the color of maize ( Zea mays L.) grain, as it is one of the attributes that directly affect the quality of the tortillas consumed by the population. For this reason, the availability of alternative techniques for assessing and improving the quality of grain is valued. Photoacoustic spectroscopy has proven to be a useful tool for characterizing maize grain. So, the objective of the present study was to determine the optical absorption coefficient β of the maize grain used to make tortillas from two regions of Mexico: (a) Valles Altos, 2012-2013 production cycle and (b) Guasave, Sinaloa, 2013-2014 production cycle. Traditional reflectance measurements, physical characteristics of the grain and nutrient content were also calculated. The experimental results show different characteristics for maize grains.

  3. Investigation of exfoliation corrosion of rolled AA8090 Al-Li alloy using electrochemical impedance spectroscopy

    Institute of Scientific and Technical Information of China (English)

    李劲风; 张昭; 曹发和; 程英亮; 张鉴清; 曹楚南

    2003-01-01

    The exfoliation morphologies and electrochemical impedance spectroscopy (EIS) features of as-received rolled AA8090 Al-Li alloy in EXCO solution were studied. The EIS was simulated using an equivalent circuit. The results show that once the exfoliation occurs, the EIS is composed of two capacitive arcs at high frequency and mediate-low frequency; among them, the capacitance corresponding to high frequency (C1) is originated from original flat alloy surface, while the capacitance corresponding to mediate-low frequency (C2) from new interface exposed to EXCO solution due to the exfoliation and the ratio of C2 to C1 increases with exfoliation degree. It is advanced that the exfoliation degree can be quantitatively judged through this ratio.

  4. Infrared multiple photon dissociation spectroscopy of ciprofloxacin: Investigation of the protonation site

    Energy Technology Data Exchange (ETDEWEB)

    Bodo, E. [Dip. Di Chimica, Universita di Roma ' La Sapienza' , p.le A. Moro 5, 00185 Rome (Italy); Ciavardini, A. [Dip. di Chimica e Tecnologie del Farmaco, Universita di Roma ' ' La Sapienza' ' , p.le A. Moro 5, 00185 Rome (Italy); Dip. di Scienze e Tecnologie Chimiche, Universita di Roma ' ' Tor Vergata' ' , via della Ricerca Scientifica, 00133 Rome (Italy); Giardini, A.; Paladini, A. [CNR - IMIP, Tito Scalo (PZ) (Italy); Piccirillo, S., E-mail: picciril@uniroma2.it [Dip. di Scienze e Tecnologie Chimiche, Universita di Roma ' ' Tor Vergata' ' , via della Ricerca Scientifica, 00133 Rome (Italy); Rondino, F. [ENEA, C.R. Casaccia, (UTT-MAT), Via Anguillarese, 301, 00123 Rome (Italy); Scuderi, D. [Laboratoire de Chimie Physique, Universite Paris Sud 11, UMR 8000, Orsay (France)

    2012-04-04

    Highlights: Black-Right-Pointing-Pointer IRMPD spectroscopy of protonated ciprofloxacin electrosprayed from methanol solution. Black-Right-Pointing-Pointer Quantum chemical calculations to identify the possible isomers differing in the protonation site. Black-Right-Pointing-Pointer Bands are assigned to the isomer protonated. Black-Right-Pointing-Pointer Bands are assigned to the isomer protonated at the piperazinyl amino group. - Abstract: The vibrational spectrum of isolated protonated ciprofloxacin was recorded in the range 1100-2000 cm{sup -1} by means of infrared multiple photon dissociation (IRMPD) spectroscopy. The spectrum was obtained by electrospraying a methanol solution of ciprofloxacin in a Paul ion trap, coupled to the tunable IR radiation of a free electron laser. This spectroscopic study has been complemented by quantum chemical calculations at the DFT and MP2 levels of theory to identify the possible structures present under our experimental conditions. Several low-energy isomers with protonation occurring at the piperazinyl amino group and at the carbonyl group are predicted in the energy range 0-84 kJ mol{sup -1}. A good agreement between the measured IRMPD spectrum and the calculated absorption spectrum is observed for the isomer protonated at the piperazinyl amino group. This isomer is calculated at MP2 level of theory to lie about 76 kJ/mol above the most stable isomer which is protonated at the quinone carbonyl group. This discrepancy can be rationalized by assuming that the protonation at the piperazinyl amino group, typical of the zwitterionic form that is found in protic solvents, is retained in the ESI process. The vibrational bands observed in the IRMPD spectrum are assigned to normal modes of the isomer protonated at the piperazinyl amino group, with deviations of less than 20 cm{sup -1} between measured and calculated frequencies.

  5. Building and analyzing models from data by stirred tank experiments for investigation of matrix effects caused by inorganic matrices and selection of internal standards in Inductively Coupled Plasma-Atomic Emission Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Grotti, Marco [Dipartimento di Chimica e Chimica Industriale, Via Dodecaneso 31, 16146 Genova (Italy)], E-mail: grotti@chimica.unige.it; Paredes, Eduardo; Maestre, Salvador; Todoli, Jose Luis [Departamento de Quimica Analitica, Nutricion y Bromatologia, Universidad de Alicante, 03080, Alicante (Spain)

    2008-05-15

    Interfering effects caused by inorganic matrices (inorganic acids as well as easily ionized elements) in inductively coupled plasma-atomic emission spectroscopy have been modeled by regression analysis of experimental data obtained using the 'stirred tank method'. The main components of the experimental set-up were a magnetically-stirred container and two peristaltic pumps. In this way the matrix composition was gradually and automatically varied, while the analyte concentration remained unchanged throughout the experiment. An inductively coupled plasma spectrometer with multichannel detection based on coupled charge device was used to simultaneously measure the emission signal at several wavelengths when the matrix concentration was modified. Up to 50 different concentrations were evaluated in a period of time of 10 min. Both single interfering species (nitric, hydrochloric and sulphuric acids, sodium and calcium) and different mixtures (aqua regia, sulfonitric mixture, sodium-calcium mixture and sodium-nitric acid mixture) were investigated. The dependence of the emission signal on acid concentration was well-fitted by logarithmic models. Conversely, for the easily ionized elements, 3-order polynomial models were more suitable to describe the trends. Then, the coefficients of these models were used as 'signatures' of the matrix-related signal variations and analyzed by principal component analysis. Similarities and differences among the emission lines were highlighted and discussed, providing a new insight into the interference phenomena, mainly with regards to the combined effect of concomitants. The combination of the huge amount of data obtained by the stirred tank method in a short period of time and the speed of analysis of principal component analysis provided a judicious means for the selection of the optimal internal standard in inductively coupled plasma-atomic emission spectroscopy.

  6. Polar tongue of ionization (TOI) and associated Joule heating intensification investigated during the magnetically disturbed period of 1-2 October 2001

    Science.gov (United States)

    Horvath, Ildiko; Lovell, Brian C.

    2016-06-01

    We investigate storm-enhanced density (SED) and polar tongue of ionization (TOI) over North America under southward Interplanetary Magnetic Field conditions. We focus on the 30 September to 1 October 2001 medium magnetic storm's recovery phase (Period 1) and on the last substorm (Period 2) of the following 2 October substorm series. We aim to study the SED-TOI structure in the time frame of solar wind energy input to the magnetosphere-ionosphere system and in terms of Joule heating. We utilize GPS total electron content maps tracking SED plume and polar TOI, and spectrogram images detecting polar rain and precipitation void and thus evidencing dayside merging. The variations of merging electric (E) field (EM) and its mapped-down polar equivalent (EP), energy input efficiency (EIeff), and modeled Joule heating rate (QJoule) are monitored. Results show multiple Joule heating intensification points implying multiple energy deposition points at high latitudes where the magnetic pole was one of the preferred locations. During the higher EIeff (~1.5%) Period 2, the polar TOI was associated with a well-defined strong QJoule intensification and with polar rain (or void) on the dayside (or nightside). During the lower EIeff (~0.5%) Period 1, only weak QJoule intensification occurred in the absence of both polar TOI and polar rain. We highlight the polar TOI's potential impact on the thermosphere. We conclude that (i) strong (EM ≈ 5 mV/m during Period 2) or weak (EM ≈ 0.5-2 mV/m during Period 1) EM facilitated energy deposition close to the magnetic pole and (ii) EIeff could be used as a diagnostic of the polar TOI's intensity.

  7. Investigation of the formation of the [2(iohexol) + Mg](2+) complex and its fragmentation in electrospray ionization tandem mass spectrometry.

    Science.gov (United States)

    Guo, Mengzhe; Yin, Dengyang; Han, Jie; Li, Xiao; Zhang, Liyan; Du, Yan; Wang, Haibo; Guo, Cheng; Tang, Daoquan

    2017-01-15

    Mass spectrometry has been developed as one of the common tools for the analysis of the organometallic systems in the gas phase over decades. The study of the fragmentation of organics-metal complexes has attracted much attention since the interesting dissociation pathways exhibited by these compounds are usually different from the protonated analogues. In this work, iohexol complexed with different dications such as Mg(2)(+) , Cu(2)(+) and Zn(2)(+) have been investigated by electrospray ionization (ESI) tandem mass spectrometry. Additionally, deuterium-labeling experiments and an analogue of iohexol were utilized to confirm the reaction mechanisms. A computational chemistry method was used to identify the coordination conformation between iohexol and metal ions in the gas phase. UV detection was also used to identify the interaction between iohexol and metal ions in the liquid phase. A special gas-phase open-loop reaction of iohexol induced by Mg(2)(+) , leading to the formation of [iohexol + Mg - H - HI - C3 H4 O](+) , was observed in the collision-induced dissociation of [2(iohexol) + Mg](2+) complexes. Moreover, theoretical calculation shows the proposed coordination configuration of iohexol/Mg(2)(+) complexes. The Mg(2)(+) could have tetrahedral coordination with two iohexol molecules. The percent study is a case for better understanding the formation of a typical organic/metal complex and its gas-phase fragmentation reaction. In addition, it provides useful information for researchers working on analysis or structural elucidation of complicated compounds which contain the iohexol analogues. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  8. Multi-ionization cross-sections of small ionic carbon clusters by particle impact as a tool to investigate their shapes

    Energy Technology Data Exchange (ETDEWEB)

    Chabot, M.; Gardes, D. [Paris-11 Univ., 91 - Orsay (France). Inst. de Physique Nucleaire; Fosse, R.; Wohrer, K. [Groupe de Physique des Solides, Univ. Paris 6/7 (France); Maynard, G. [Lab. de Physique des Gaz et des Plasmas, Univ. Paris-Sud, Orsay (France); Rabilloud, F. [Lab. CAR/IRSAMC, Univ. Paul Sabatier, Toulouse (France); Spiegelman, F. [Lab. de Physique Quantique/IRSAMC, Univ. Paul Sabatier, Toulouse (France)

    2001-04-01

    Single, double and triple ionization cross-sections of C{sub n}{sup +} clusters in collisions with helium atoms at intermediate velocity (2.6 a.u.) have been measured (n=1{yields}5). The relative multi-ionization cross-sections (double over single and triple over single) are first increasing with n, then decreasing when going from n=4 to n=5. We show, on the basis of an independent atom and electron collisional treatment, that this effect is attributable to a change in the cluster shape. The role of the cluster compactness on relative multi-ionization cross-sections is pointed out here for the first time. (orig.)

  9. Structural Investigations of Portland Cement Components, Hydration, and Effects of Admixtures by Solid-State NMR Spectroscopy

    DEFF Research Database (Denmark)

    Skibsted, Jørgen Bengaard; Andersen, Morten D.; Jakobsen, Hans Jørgen

    2006-01-01

    Solid-state, magic-angle spinning (MAS) NMR spectroscopy represents a valuable tool for structural investigations on the nanoscale of the most important phases in anhydrous and hydrated Portland cements and of various admixtures. This is primarily due to the fact that the method reflects the firs.......% flourine. Finally, the detection and quantification of strätlingite (2CaO·Al2O3·SiO2·8H2O) in Portland cement mixtures containing metakaolin will be demonstrated....

  10. Investigation of coloration of SrLaGaO sub 4 single crystals by X-ray photoelectron spectroscopy

    CERN Document Server

    Novosselov, A; Talik, E; Pajaczkowska, A

    2003-01-01

    An investigation of the X-ray photoelectron spectra of single crystals of SrLaGaO sub 4 grown by the Czochralski method at various oxygen pressures is reported. Light yellow, yellow and red colored crystals were grown at an oxygen pressure lower than about 5x10 sup - sup 4 atm while the green colored crystals were grown at an oxygen pressure higher than 5x10 sup - sup 3 atm. The presence of Ga sup 1 sup + ions for green colored crystals was demonstrated and the existence of interstitial oxygen atoms in the green and red colored crystals was proposed by using X-ray photoelectron spectroscopy.

  11. Defect-induced Raman spectroscopy in single-layer graphene with boron and nitrogen substitutional defects by theoretical investigation

    Science.gov (United States)

    Jiang, Jie; Pachter, Ruth; Islam, Ahmad E.; Maruyama, Benji; Boeckl, John J.

    2016-10-01

    Although advances in heteroatom incorporation into the single-layer graphene lattice resulted in films with large carrier densities, careful characterization by Raman spectroscopy is important for assessment of the material's quality. We investigated theoretically I(D)/I(D‧) Raman intensity ratios induced by B- and N- substitutional doping, demonstrated to be consistent with measurements. Calculated Fermi level shifts showed that for a moderate doping density results are comparable to electrolyte gating, while analytical analysis of the electron-defect scattering provided insight into changes of cross-sections. Effects of doping density on the D band intensity and broadening were quantified, and will assist in graphene characterization.

  12. Structural Investigations of Portland Cement Components, Hydration, and Effects of Admixtures by Solid-State NMR Spectroscopy

    DEFF Research Database (Denmark)

    Skibsted, Jørgen Bengaard; Andersen, Morten D.; Jakobsen, Hans Jørgen

    2006-01-01

    Solid-state, magic-angle spinning (MAS) NMR spectroscopy represents a valuable tool for structural investigations on the nanoscale of the most important phases in anhydrous and hydrated Portland cements and of various admixtures. This is primarily due to the fact that the method reflects the first...... in the cement phases. The role of flouride ions is of special interest for mineralized Portland cements and it demonstrated that the location of these anions in anhydrous and hydrated Portland cements can be clarified using 19F MAS or 29Si{19F} CP/MAS NMR despite these cements contain only about 0.2 wt...

  13. Local stress determination in chromia-former thanks to micro-Raman spectroscopy: A way to investigate spontaneous delamination processes

    Science.gov (United States)

    Guerain, M.; Goudeau, P.; Panicaud, B.; Grosseau-Poussard, J. L.

    2013-02-01

    Spontaneous delamination process for α-Cr2O3 thermal oxide films growing on NiCr-30 alloys is studied thanks to micro Raman spectroscopy. In particular, stress maps are performed through and around buckles developed on chromia films. Depending on the cooling rate at the end of the oxidation process, different buckle types appear which are investigated. Associated residual stress distribution clearly evidences the stress release field. In addition, geometrical features are determined for the different buckle types, and from comparison with modelling describing buckle formation and propagation, it is possible to get the interface toughness distribution.

  14. Comparative investigation of laser-induced breakdown spectroscopy in bulk water using 532- and 1064-nm lasers

    Science.gov (United States)

    Tian, Ye; Xue, Boyang; Song, Jiaojian; Lu, Yuan; Li, Ying; Zheng, Ronger

    2017-07-01

    The influence of laser wavelength on the characteristics of laser-induced breakdown spectroscopy (LIBS) in bulk water was investigated by using 532- and 1064-nm lasers. We demonstrated that higher laser energy does not lead to higher LIBS signals because of the strong plasma shielding occurring at high laser energies, as shown by the spectroscopic and fast imaging results in this work. At threshold energies of 100% breakdown probability, the 1064 nm beam could induce a plasma with higher electron density and temperature than the 532 nm beam, which leads to higher signal-to-noise ratios and longer lifetimes of the emission lines.

  15. Investigation of stoichiometry of oxygen precipitates in Czochralski silicon wafers by means of EDX, EELS and FTIR spectroscopy

    Science.gov (United States)

    Kot, D.; Kissinger, G.; Schubert, M. A.; Klingsporn, M.; Huber, A.; Sattler, A.

    2016-11-01

    In this work, we used EDX, EELS and FTIR spectroscopy to investigate the stoichiometry of oxygen precipitates in Czochralski silicon wafers. The EDX analysis of a plate-like precipitate demonstrated that the composition of the precipitate is SiO1.93. This result was confirmed by EELS where the characteristic plasmon peak of SiO2 was observed. Additionally, the absorption band of plate-like precipitates at 1223 cm-1 was found in the FTIR spectrum measured at liquid helium temperature. It was demonstrated that this band can only be simulated by the dielectric constants of amorphous SiO2.

  16. Coherent Phase Control of Multiphoton Ionization in Three-Level Ladder-Type System

    Institute of Scientific and Technical Information of China (English)

    ZHANG Shi-An; CHEN Yu-Ting; WANG Zu-Geng; SUN Zhen-Rong

    2009-01-01

    We present the theoretical investigation of photoelectron spectroscopy resulting from the strong field induced multiphoton ionization in a typical three-level ladder-style system.Our theoretical results show that the photoelectron spectral structure can be alternatively steered by spectral phase modulation.This physical mechanism for strong field quantum control is explicitly exploited by the time-dependent dressed state population.It is concluded that the phase-shaped laser pulses can be used to selectively manipulate the multiphoton ionization process in complicated quantum systems.

  17. Dielectric spectroscopy investigation of ion-containing and intermolecular hydrogen-bonded polymer systems

    Science.gov (United States)

    Atorngitjawat, Pornpen

    Ion-containing and intermolecular hydrogen-bonded polymers are used widely in a variety of industrial and commercial applications, from food packaging to battery electrolytes to pharmaceuticals. Yet the dynamics of these polymers, which are both complex and important to the application, are poorly understood. This thesis provides the first systematic study of the dynamics of several ion-containing and intermolecular hydrogen-bonded polymers by broadband dielectric relaxation spectroscopy. The systems under consideration include sulfonated polystyrene (SPS) in acid (SPS-H) and neutralized forms, and mixtures of poly(2-vinylpyridine) (P2VPy) with lithium perchlorate (LiClO4) and low molecular weight phenolic molecules. Dynamic mechanical analysis, Fourier transform infrared spectroscopy, differential scanning calorimetry, small-angle X-ray scattering and wide-angle X-ray diffraction were employed in a complementary role. Multiple relaxations were generally observed at high temperatures. For SPS ionomers, the segmental process, Maxwell-Wagner-Sillars interfacial polarization, and electrode polarization were detected. Three relaxations were also found in spectra of SPS-H, attributed to the segmental process, hydrogen bond association/dissociation, and electrode polarization. Three dielectric relaxations above the segmental process were observed for P2VPy-LiClO4 mixtures: ion-mode relaxation, slow hindered segmental relaxation and electrode polarization. However, only electrode polarization was observed above the segmental relaxation for all P2VPy--small phenolic molecule mixtures, except P2VPy + 10 mol% 2,3,3,4,4,5-hexahydroxybenzophenone. This mixture exhibited an additional relaxation due to Maxwell-Wagner-Sillars interfacial polarization, arising from the existence of phase-separated complexes within the P2VPy matrix. Sub-Tg local relaxations were suppressed by ionic intermolecular interactions for SPS ionomers and P2VPy-LiClO4 mixtures. Intermolecular hydrogen

  18. An investigation of strong sodium retention mechanisms in nanopore environments using nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Ferreira, Daniel R; Schulthess, Cristian P; Giotto, Marcus V

    2012-01-03

    Recent experimental research into the adsorption of various cations on zeolite minerals has shown that nanopore channels of approximately 0.5 nm or less can create an effect whereby the adsorption of ions, especially those that are weakly hydrated, can be significantly enhanced. This enhanced adsorption occurs due to the removal of hydrating water molecules which in turn is caused by the nanopore channel's small size. A new adsorption model, called the nanopore inner-sphere enhancement (NISE) effect, has been proposed that explains this unusual adsorption mechanism. To further validate this model a series of nuclear magnetic resonance (NMR) spectroscopy studies is presented here. NMR spectra were gathered for Na adsorbed on three zeolite minerals of similar chemical composition but differing nanoporosities: zeolite Y with a limiting dimension of 0.76 nm, ZSM-5 with a limiting dimension of 0.51 nm, and mordenite with a limiting dimension of 0.26 nm. The NMR experiments validated the predictions of the NISE model whereby Na adsorbed via outer-sphere on zeolite Y, inner-sphere on ZSM-5, and a combination of both mechanisms on mordenite. The strong Na adsorption observed in these nanoporous minerals conflicts with sodium's general designation as a weak electrolyte.

  19. X-ray absorption spectroscopy investigations on radioactive matter using MARS beamline at SOLEIL synchrotron

    Energy Technology Data Exchange (ETDEWEB)

    Llorens, Isabelle; Solari, Pier Lorenzo; Sitaud, Bruno [Synchrotron SOLEIL - l' Orme des Merisiers Saint Aubin, Gif-sur-Yvette (France); and others

    2014-07-01

    The MARS beamline at the SOLEIL synchrotron is dedicated to the characterization of radioactive material samples. One great advantage of the beamline is the possibility to characterize about 380 radionuclides by different X-ray techniques in the same place. This facility is unique in Europe. A wide energy range from around 3.5 keV to 36 keV K-edges from K to Cs, and L3 edges from Cd to Am and beyond can be used. The MARS beamline is optimized for X-ray absorption spectroscopy techniques (XANES/EXAFS), powder diffraction (XRD) but X-ray fluorescence (XRF) analysis, High Energy Resolution Fluorescence Detected-XAS (HERFD-XAS), X-ray Emission (XES) and μ-XAS/XRD are also possible. A description of the beamline as well as its performances are given in a first part. Then some scientific examples of XAS studies from users are presented which cover a wide variety of topics in radiochemistry and nuclear materials.

  20. Photoacoustic Spectroscopy for the Determination of Lung Cancer Biomarkers—A Preliminary Investigation

    Directory of Open Access Journals (Sweden)

    Yannick Saalberg

    2017-01-01

    Full Text Available With 1.6 million deaths per year, lung cancer is one of the leading causes of death worldwide. One reason for this high number is the absence of a preventive medical examination method. Many diagnoses occur in a late cancer stage with a low survival rate. An early detection could significantly decrease the mortality. In recent decades, certain substances in human breath have been linked to certain diseases. Different studies show that it is possible to distinguish between lung cancer patients and a healthy control group by analyzing the volatile organic compounds (VOCs in their breath. We developed a sensor based on photoacoustic spectroscopy for six of the most relevant VOCs linked to lung cancer. As a radiation source, the sensor uses an optical-parametric oscillator (OPO in a wavelength region from 3.2 µm to 3.5 µm. The limits of detection for a single substance range between 5 ppb and 142 ppb. We also measured high resolution absorption spectra of the biomarkers compared to the data currently available from the National Institute of Standards and Technology (NIST database, which is the basis of any selective spectroscopic detection. Future lung cancer screening devices could be based on the further development of this sensor.

  1. [An investigation on fast thermolysis of ammonium perchlorate (AP) by FTIR spectroscopy].

    Science.gov (United States)

    Zhang, La-ying; Liu, Zi-ru; Wang, Xiao-hong; Heng, Shu-yun; Pan, Qing; Shao, Ying-hui; Zhang, Gao; Zhao, Feng-qi

    2010-08-01

    The fast thermolysis processes of ammonium perchlorate (AP) and its chemical reaction mechanism under certain simulated conditions of combustion were systematically studied by means of T-Jump/FTIR technique. AP was flash-pyrolyzed under different pressure nitrogen atmosphere, with the heating rate of 1000 K x s(-1) and the set temperatures of 874 and 1 274 K. Thereafter, the real time species and concentration of its gaseous products were obtained and identified by using rapid scanning Fourier transform infrared (FTIR) in-situ spectroscopy. It was indicated that the main gaseous products of AP thermolysis is composed of NO2, N2O, NO, HCl and NClO. Interestingly, the values of N2O/NO2, NO/NO2 and NO/NClO are increased while the test temperature or pressure is elevated. It is suggested that the transformation of condensed phase and heterogeneous gas/condensed phase was probably arises and the "following reactions" among the main gaseous products may also take place in the fast thermolysis process of AP.

  2. Photoacoustic Spectroscopy for the Determination of Lung Cancer Biomarkers—A Preliminary Investigation

    Science.gov (United States)

    Saalberg, Yannick; Bruhns, Henry; Wolff, Marcus

    2017-01-01

    With 1.6 million deaths per year, lung cancer is one of the leading causes of death worldwide. One reason for this high number is the absence of a preventive medical examination method. Many diagnoses occur in a late cancer stage with a low survival rate. An early detection could significantly decrease the mortality. In recent decades, certain substances in human breath have been linked to certain diseases. Different studies show that it is possible to distinguish between lung cancer patients and a healthy control group by analyzing the volatile organic compounds (VOCs) in their breath. We developed a sensor based on photoacoustic spectroscopy for six of the most relevant VOCs linked to lung cancer. As a radiation source, the sensor uses an optical-parametric oscillator (OPO) in a wavelength region from 3.2 µm to 3.5 µm. The limits of detection for a single substance range between 5 ppb and 142 ppb. We also measured high resolution absorption spectra of the biomarkers compared to the data currently available from the National Institute of Standards and Technology (NIST) database, which is the basis of any selective spectroscopic detection. Future lung cancer screening devices could be based on the further development of this sensor. PMID:28117732

  3. Structural Reorganization and Fibrinogen Adsorption Behaviors on the Polyrotaxane Surfaces Investigated by Sum Frequency Generation Spectroscopy.

    Science.gov (United States)

    Ge, Aimin; Seo, Ji-Hun; Qiao, Lin; Yui, Nobuhiko; Ye, Shen

    2015-10-14

    Polyrotaxanes, such as supramolecular assemblies with methylated α-cyclodextrins (α-CDs) as host molecules noncovalently threaded on the linear polymer backbone, are promising materials for biomedical applications because they allow adsorbed proteins possessing a high surface flexibility as well as control of the cellular morphology and adhesion. To provide a general design principle for biomedical materials, we examined the surface reorganization behaviors and adsorption conformations of fibrinogen on the polyrotaxane surfaces with comparison to several random copolymers by sum frequency generation (SFG) vibrational spectroscopy. We showed that the polyrotaxane (OMe-PRX-PMB) with methylated α-CDs as the host molecule exhibited unique surface structures in an aqueous environment. The hydrophobic interaction between the methoxy groups of the methylated α-CD molecules and methyl groups of the n-butyl methacrylate (BMA) side chains may dominate the surface restructuring behavior of the OMe-PRX-PMB. The orientation analysis revealed that the orientation of the fibrinogen adsorbed on the OMe-PRX-PMB surface is close to a single distribution, which is different from the adsorption behaviors of fibrinogen on other polyrotaxane or random copolymer surfaces.

  4. Polymer chain dynamics in epoxy based composites as investigated by broadband dielectric spectroscopy

    Directory of Open Access Journals (Sweden)

    Mohammad K. Hassan

    2016-03-01

    Full Text Available Epoxy networks of the diglycidyl ether of bisphenol A (DGEBA were prepared using 3,3′- and 4,4′-diaminodiphenyl sulfone isomer crosslinkers. Secondary relaxations and the glass transitions of resultant networks were probed using broadband dielectric spectroscopy (BDS. A sub-Tg γ relaxation peak for both networks shifts to higher frequencies (f with increasing temperature in Arrhenius fashion, both processes having the same activation energy and being assigned to phenyl ring flipping in DGEBA chains. A β relaxation is assigned to local motions of dipoles that were created during crosslinking reactions. 4,4′-based networks exhibited higher Tg relative to 3,3′-based networks as per dynamic mechanical as well as BDS analyses. The Vogel–Fulcher–Tammann–Hesse equation fitted well to relaxation time vs. temperature data and comparison of Vogel temperatures suggests lower free volume per mass for the 3,3′-based network. The Kramers–Krönig transformation was used to directly calculate dc-free ɛ″ vs. f data from experimental ɛ′ vs. f data. Distribution of relaxation times (DRT curves are bi-modal for the 3,3′-crosslinked resin suggesting large-scale microstructural heterogeneity as opposed to homogeneity for the 4,4′-based network whose DRT consists of a single peak.

  5. Two-dimensional codistribution spectroscopy applied to UVRR and ROA investigations of biomolecular transitions

    Science.gov (United States)

    Ramer, Georg; Ashton, Lorna

    2016-11-01

    The first Raman optical activity (ROA) two-dimensional correlation spectroscopy (2DCOS) study in 2006, monitoring the temperature-induced α-helix-to-β-sheet transition in poly(L-lysine), demonstrated the versatility of 2DCOS. The combination of ROA and 2DCOS provided new ROA band assignments, enabled a direct comparison between the simultaneously collected Raman and ROA data using heterocorrelations and probed sequential information. This study also confirmed that 2DCOS can be successfully used with bisignate data, although specific care is needed when interpreting the results. However, as time has passed, doubts have been raised about not only the sequential orders reported in the study but also the general reliability of sequential data. This issue has now been addressed with the introduction of 2D codistribution (2DCDS) which is specifically designed to provide the sequence of the distributed presence of species along the perturbation variable axis. In light of these new developments in 2D correlation techniques we have revisited the original ROA data and we present our updated results. Furthermore, we demonstrate how 2DCDS can be successfully applied to bisignate data using new spectral data sets of perturbation-induced transitions in polynucleotides.

  6. Bis(pentamethylcyclopentadienyl)ytterbium: An investigation of weak interactions in solution using multinuclear NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, David Joel [Univ. of California, Berkeley, CA (United States)

    1995-07-01

    NMR spectroscopy is ideal for studying weak interactions (formation enthalpy ≤20 kcal/mol) in solution. The metallocene bis(pentamethylcyclopentadienyl)ytterbium, Cp*2Yb, is ideal for this purpose. cis-P2PtH2complexes (P = phosphine) were used to produce slow-exchange Cp*2YbL adducts for NMR study. Reversible formation of (P2PtH)2 complexes from cis-P2PtH2 complexes were also studied, followed by interactions of Cp*2Yb with phosphines, R3PX complexes. A NMR study was done on the interactions of Cp*2Yb with H2, CH4, Xe, CO, silanes, stannanes, C6H6, and toluene.

  7. MDM2-MDM4 molecular interaction investigated by atomic force spectroscopy and surface plasmon resonance.

    Science.gov (United States)

    Moscetti, Ilaria; Teveroni, Emanuela; Moretti, Fabiola; Bizzarri, Anna Rita; Cannistraro, Salvatore

    Murine double minute 2 (MDM2) and 4 (MDM4) are known as the main negative regulators of p53, a tumor suppressor. They are able to form heterodimers that are much more effective in the downregulation of p53. Therefore, the MDM2-MDM4 complex could be a target for promising therapeutic restoration of p53 function. To this aim, a deeper understanding of the molecular mechanisms underlining the heterodimerization is needed. The kinetic and thermodynamic characterization of the MDM2-MDM4 complex was performed with two complementary approaches: atomic force spectroscopy and surface plasmon resonance. Both techniques revealed an equilibrium dissociation constant (KD ) in the micromolar range for the MDM2-MDM4 heterodimer, similar to related complexes involved in the p53 network. Furthermore, the MDM2-MDM4 complex is characterized by a relatively high free energy, through a single energy barrier, and by a lifetime in the order of tens of seconds. New insights into the MDM2-MDM4 interaction could be highly important for developing innovative anticancer drugs focused on p53 reactivation.

  8. Investigation of calcium aluminates by IR spectroscopy in diffusely scattered light

    Energy Technology Data Exchange (ETDEWEB)

    Medin, A.S.; Borovkov, V.Yu.; Nissenbaum, V.D.; Yakerson, V.I.; Kazanskii, V.B.

    1989-01-01

    The hydroxyl covering and the adsorption sites for CO and H/sub 2/O on aluminum-calcium catalysts and supports with developed surfaces have been studied by IR spectroscopy in diffusely scattered light. The presence of several types of surface OH groups, viz., terminal groups bonded to calcium ions with different types of coordination, bridging OH groups, and groups appearing in (CaOH)/sup +/ groupings, which perform the role of compensating cations in the zeolite-like structure of calcium aluminates, has been established. The shifts of the bands of the OH groups upon the adsorption of C/sub 6/H/sub 6/ and cyclo-C/sub 6/H/sub 12/ point out their weakly acidic or basic character. When calcium aluminates are dehydroxylated, aprotic sites appear on their surfaces, and the rehydration of such surfaces is accompanied by the formation of OH groups and the weakening of the Al-O-M bonds (M = Al, Ca) with the appearance of additional sites for the strong adsorption of water.

  9. Preliminary investigation into feasibility of dissolved methane measurement using cavity ringdown spectroscopy technique

    Science.gov (United States)

    Wang, Zhen-Nan; Ye, Wang-Quan; Luan, Xiao-Ning; Qi, Fu-Jun; Cheng, Kai; Zheng, Ronger

    2016-12-01

    For the exploration of gas hydrate resources by measuring the dissolved methane concentration in seawater, a continuous-wave cavity ringdown spectroscopy (CW-CRDS) experimental setup was constructed for trace methane detection. A current-modulation method, rather than a cavity-modulation method using an optical switch and a piezoelectric transducer, was employed to realize the cavity excitation and shutoff. Such a current-modulation method enabled the improvement of the experimental setup construction and stability, and the system size and stability are critical for a sensor to be deployed underwater. Ringdown data acquisition and processing were performed, followed by an evaluation of the experimental setup stability and sensitivity. The obtained results demonstrate that great errors are introduced when a large fitting window is selected if the analog-to-digital converter has an insufficient resolution. The ringdown spectrum of methane corresponding to the 2 v 3 band R(4) branch was captured, and the methane concentration in lab air was determined to be 2.06 ppm. Further experiments for evaluating the quantitative ability of this CW-CRDS experimental setup are underway from which a high-sensitivity methane sensor that can be combined with a degassing system is expected.

  10. The Optical Absorption Coefficient of Bean Seeds Investigated Using Photoacoustic Spectroscopy

    Science.gov (United States)

    Sanchez-Hernandez, G.; Hernandez-Aguilar, C.; Dominguez-Pacheco, A.; Cruz-Orea, A.; Perez-Reyes, M. C. J.; Martinez, E. Moreno

    2015-06-01

    A knowledge about seed optical parameters is of great relevance in seed technology practice. Such parameters provide information about its absorption and reflectance, which could be useful for biostimulation processes, by light sources, in early stages of seed germination. In the present research photoacoustic spectroscopy (PAS) and the Rosencwaig and Gersho model were used to determine the optical absorption coefficient () of five varieties of bean seeds ( Phaseolus vulgaris L.), of different productive cycles; the seeds were biostimulated by laser treatment to evaluate the effects of biostimulation pre-sowing. It was found that the bean varieties V1, V2, V4, and V5 were optically opaque in the visible spectrum; in the case of the V3 variety, this sample was optically transparent from 680 nm. The varieties of the studied bean seeds showed significant statistical differences in sizes and also in their optical absorption spectra. The biostimulation effects showed that the seed samples with a higher optical penetration length had a positive biostimulation, in the percentage of germination, obtaining an enhancement of 47 % compared to the control sample. The utility of PAS for the optical characterization of seeds has been demonstrated in this study of the laser biostimulation process of this kind of samples.

  11. Investigation of proton damage in III-V semiconductors by optical spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yaccuzzi, E.; Giudici, P. [Departamento Energía Solar, Centro Atómico Constituyentes, Av. Gral. Paz 1499, 1650 San Martín (Argentina); CONICET, Godoy Cruz 2290 (C1425FQB), CABA (Argentina); Khachadorian, S.; Strittmatter, A.; Hoffmann, A. [Institut für Festkörperphysik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Suárez, S. [Laboratorio de Colisiones Atómicas, Centro Atómico Bariloche, E. Bustillo 9500, 8400 Bariloche (Argentina); CONICET, Godoy Cruz 2290 (C1425FQB), CABA (Argentina); Reinoso, M. [Departamento Física Experimental, Centro Atómico Constituyentes, Av. Gral. Paz 1499, 1650 San Martín (Argentina); CONICET, Godoy Cruz 2290 (C1425FQB), CABA (Argentina); Goñi, A. R. [ICREA, Passeig Lluís Companys 23, 08010 Barcelona (Spain); Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra (Spain)

    2016-06-21

    We studied the damage produced by 2 MeV proton radiation on epitaxially grown InGaP/GaAs structure by means of spatially resolved Raman and photoluminescence (PL) spectroscopy. The irradiation was performed parallel to the sample surface in order to determine the proton penetration range in both compounds. An increase in the intensity of longitudinal optical phonons and a decrease in the luminescence were observed. We associate these changes with the creation of defects in the damaged region, also responsible for the observed change of the carrier concentration in the GaAs layer, determined by the shift of the phonon-plasmon coupled mode frequency. From the spatially resolved profile of the PL and phonon intensities, we obtained the proton range in both materials and we compared them with stopping and range of ions in matter simulations. The comparison between the experimentally obtained proton range and simulations shows a very good agreement for GaAs but a discrepancy of 20% for InGaP. This discrepancy can be explained in terms of limitations of the model to simulate the electronic orbitals and bonding structure of the simulated compound. In order to overcome this limitation, we propose an increase in 40% in the electronic stopping power for InGaP.

  12. First Investigation of the Combined Impact of Ionizing Radiation and Momentum Winds from a Massive Star on a Self-Gravitating Core

    CERN Document Server

    Ngoumou, Judith; Dale, James E; Burkert, Andreas

    2014-01-01

    Massive stars shape the surrounding ISM by emitting ionizing photons and ejecting material through stellar winds. To study the impact of the momentum from the wind of a massive star on the surrounding neutral or ionized material, we implemented a new HEALPix-based momentum conserving wind scheme in the Smoothed Particle Hydrodynamics (SPH) code SEREN. A qualitative study of the impact of the feedback from an O7.5-like star on a self gravitating sphere shows that, on its own, the transfer of momentum from a wind onto cold surrounding gas has both a compressing and dispersing effect. It mostly affects gas at low and intermediate densities. When combined with a stellar source's ionizing UV radiation, we find the momentum driven wind to have little direct effect on the gas. We conclude that, during a massive star's main sequence, the UV ionizing radiation is the main feedback mechanism shaping and compressing the cold gas. Overall, the wind's effects on the dense gas dynamics and on the triggering of star formati...

  13. Mass spectrometric investigations of alpha- and beta-cyclodextrin complexes with ortho-, meta- and para-coumaric acids by negative mode electrospray ionization.

    Science.gov (United States)

    Kralj, Bogdan; Smidovnik, Andrej; Kobe, Joze

    2009-01-01

    The mass spectrometric characterization of aqueous solutions of alpha- and beta-cyclodextrins (CDs) and o-, m- and p-coumaric acids (CAs) by negative ion electrospray ionization (ESI) indicates that the [CD+CA](-) ions were sourced from the inclusion complex present in solution and from the anion attached to CD molecules formed in the spray processes. The anion adducts formed in the spray process contribute significantly to the signal intensity of an ionized inclusion complex thus overestimating the calculated stability constant (K) of solution-phase complexes by one to two orders of magnitude. The relative intensities of anion adducts in mass spectra depend on the concentration ratio of the anion and the CD in spray droplets, while the relative intensity of the ionized inclusion complex depends on CD and CA concentrations in solutions and the value of K. Ion Mobility Spectrometry Mass Spectrometry [IMS-MS] measurements show that the collision cross-section (Omega) values of the [CD+CA](-) or [(CD)(2+)CA](2-) and [CD+CA](2) (2-) complex ions are 5-6% larger than or equal to CD(-) or [CD](2) (2-), respectively. Therefore, in the gas phase the anion adducts [CD+CA(-)] on cyclodextrin molecules possess the same conformations as the ionized inclusion complexes [CD+CA](-).

  14. Investigation of the thermal stability of phosphotungstic Wells-Dawson heteropoly-acid through in situ Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Matkovic, Silvana Raquel, E-mail: matkovic@quimica.unlp.edu.ar [Centro de Investigacion y Desarrollo en Ciencias Aplicadas-Dr. Jorge J. Ronco. U.N.L.P., CONICET, CCT La Plata. Calle 47 N 257, B1900AJK La Plata, Buenos Aires (Argentina); Briand, Laura Estefania [Centro de Investigacion y Desarrollo en Ciencias Aplicadas-Dr. Jorge J. Ronco. U.N.L.P., CONICET, CCT La Plata. Calle 47 N 257, B1900AJK La Plata, Buenos Aires (Argentina); Banares, Miguel Angel [Laboratorio de Espectroscopia Catalitica, Instituto de Catalisis y Petroleoquimica, CSIC. Marie Curie 2, Cantoblanco, E-28049 Madrid (Spain)

    2011-11-15

    Highlights: {yields} Insitu Raman is used to monitor the thermal stability of Wells Dawson heteropolyacid. {yields} TP-Raman follows the gradual dehydration and the effect on the secondary structure. {yields} Wells-Dawson heteropolyacid does not decompose into Keggin and WO{sub 3} units below 600{sup o}C -- Abstract: The present investigation applies laser Raman spectroscopy under in situ conditions to obtain insights on the effect of the temperature on the molecular structure of the bulk phosphotungstic Wells-Dawson heteropoly-acid H{sub 6}P{sub 2}W{sub 18}O{sub 62}.xH{sub 2}O (HPA). The in situ temperature-programmed studies followed the evolution of phosphotungstic Wells-Dawson and Keggin heteropoly-acids along with tungsten trioxide under controlled atmosphere and temperature. The spectroscopic investigation of the Wells-Dawson HPA demonstrated that in situ Raman spectroscopy is a suitable technique to follow the effect of a gradual dehydration on the secondary structure of such a complex structure. Moreover, the absence of the signals belonging either to the Keggin or WO{sub 3} phases provides further evidence that the phosphotungstic heteropolyanion does not decomposes towards those materials at temperatures below 600 {sup o}C.

  15. Biological decontamination of surfaces using guided ionization waves

    Science.gov (United States)

    Jarrige, Julien; Zaepffel, Clement

    2016-09-01

    Atmospheric pressure plasma jets have received an increasing attention these last ten years in various domains, including biomedical applications and decontamination. Among these technologies, guided ionization waves (also called ``plasma bullets'') are very promising because of their ability to produce a highly non-equilibrium plasma. Reactive species can be generated in the open air over a long distance during the propagation of the wave (typically: several cm), while the background gas remains at ambient temperature. A non-thermal plasma system has been developed and tested for the biological decontamination of surfaces. It consists of a dielectric barrier discharge in a helium flow driven by high voltage pulses. The propagation of the ionization wave and the spatial distribution of the species have been characterized by high speed imaging and optical emission spectroscopy. The influence of the discharge parameters on the plasma properties is investigated. Results of decontamination on several bacteria are shown, and the decontamination efficiency is compared with the plasma properties.

  16. Fluorescence correlation spectroscopy, a tool to investigate supramolecular dynamics: inclusion complexes of pyronines with cyclodextrin.

    Science.gov (United States)

    Al-Soufi, Wajih; Reija, Belén; Novo, Mercedes; Felekyan, Suren; Kühnemuth, Ralf; Seidel, Claus A M

    2005-06-22

    The control of supramolecular systems requires a thorough understanding of their dynamics on a molecular level. We present fluorescence correlation spectroscopy (FCS) as a powerful spectroscopic tool to study supramolecular dynamics with single molecule sensitivity. The formation of a supramolecular complex between beta-cyclodextrin (beta-CD) as host and pyronines Y (PY) and B (PB) as guests is studied by FCS. Global target analysis of full correlation curves with a newly derived theoretical model yields in a single experiment the fluorescence lifetimes and the diffusion coefficients of free and complexed guests and the rate constants describing the complexation dynamics. These data give insight into the recently published surprising fact that the association equilibrium constant of beta-CD with PY is much lower than that with the much bulkier guest PB. FCS shows that the stability of the complexes is dictated by the dissociation and not by the association process. The association rate constants are very similar for both guests and among the highest reported for this type of systems, although much lower than the diffusion-controlled collision rate constant. A two-step model including the formation of an encounter complex allows one to identify the unimolecular inclusion reaction as the rate-limiting step. Simulations indicate that this step may be controlled by geometrical and orientational requirements. These depend on critical molecular dimensions which are only weakly affected by the different alkyl substituents of PY and PB. Diffusion coefficients of PY and PB, of their complexes, and of rhodamine 110 are given and compared to those of similar molecules.

  17. Ag clustering investigation in laser irradiated ion-exchanged glasses by optical and vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Trave, E., E-mail: enrico.trave@unive.it [Department of Molecular Sciences and Nanosystems, Ca' Foscari University of Venezia, Dorsoduro 2137, I-30123 Venezia (Italy); Cattaruzza, E.; Gonella, F.; Calvelli, P. [Department of Molecular Sciences and Nanosystems, Ca' Foscari University of Venezia, Dorsoduro 2137, I-30123 Venezia (Italy); Quaranta, A. [Department of Materials Engineering and Industrial Technologies, University of Trento, via Mesiano 77, I-38050 Povo (Italy); Rahman, A.; Mariotto, G. [Department of Computer Science, University of Verona, Strada le Grazie 15, 37134 Verona (Italy)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer We modify the properties of Ag{sup +} exchanged glasses by thermal and laser treatment. Black-Right-Pointing-Pointer The induced microstructural changes are analyzed by optical and Raman spectroscopy. Black-Right-Pointing-Pointer Ag-based species in the glass show a peculiar PL activity in the UV-Vis range. Black-Right-Pointing-Pointer Raman and OA analysis allow for determining the Ag cluster size evolution. Black-Right-Pointing-Pointer Laser processing leads to different cluster formation and fragmentation mechanisms. - Abstract: Ion exchange process is widely used to dope silicate glass layers with silver for several applications, ranging from light waveguide to nanostructured composite glass fabrication. The silver-doped structure and its physical properties depend on the preparation parameters as well as on subsequent treatments. In particular, laser irradiation of the ion exchanged glasses has been demonstrated to be an effective tool to control cluster size and size distribution. Nevertheless, a complete comprehension of the basic phenomena and a systematic characterization of these systems are still lacking. In this paper, an extended optical characterization is presented for soda-lime glass slides, doped with silver by Ag{sup +}-Na{sup +} ion exchange, thermally treated and irradiated with a Nd:YAG laser beam at different wavelengths, and for different energy density. The samples were characterized by various spectroscopic techniques, namely, optical absorption, photoluminescence and micro-Raman analysis. The availability of all these characterization techniques allowed pointing out a suitable scenario for the Ag clustering evolution as a function of the ion exchange, annealing and laser irradiation parameters.

  18. Orbital reconstruction at the LAO/STO interface investigated by x-ray spectroscopy

    Science.gov (United States)

    Ghiringhelli, G.; Moretti Sala, M.; Cezar, J. C.; Brookes, N. B.; De Luca, G. M.; Salluzzo, M.

    2010-08-01

    The appearance of high mobility electrons at the LaAlO3/SrTiO3 (LAO/STO) interface has raised strong interest in the material science community and a lively debate on the origin of the phenomenon. In particular, in view of the large band gaps of the two bulk single crystals constituting this heterostructure, the realization of a conducting system was totally unexpected. A possible explanation is an electronic reconstruction of the interface, realizing a transfer of electrons from the LaAlO3 surface to SrTiO3 near the interface, thereby avoiding the polarization catastrophe associated with the alternating polar layers of the LaAlO3 film. The predictions of theoretical models based on this idea are quite peculiar and need to be verified by specific experiments able to address the electronic properties of the LAO/STO buried interface. Here, by using x-ray spectroscopy techniques, we show that the appearance of an electron system is correlated to the removal of the degeneracy of the titanium 3d states, and doped electrons appear in a band preferentially created by the hybridization between 3dxy states of titanium and oxygen 2px,y states. This splitting is consistent with an ordering of the Ti 3dxy orbital belonging to the TiO6 octahedra close to the interface, as theoretically proposed. However, the valence of titanium ions remains prevalently 4+, therefore other mechanisms should be also considered for the stabilization of the system.

  19. Investigation of organo-carbonate associations in carbonaceous chondrites by Raman spectroscopy

    Science.gov (United States)

    Chan, Queenie H. S.; Zolensky, Michael E.; Bodnar, Robert J.; Farley, Charles; Cheung, Jacob C. H.

    2017-03-01

    Carbonates record information regarding the timing, nature and conditions of the fluids circulating through asteroid parent bodies during aqueous alteration events. Determining carbonate abundances and their relationships with organic matter improves our understanding of the genesis of major carbonaceous components in chondritic materials. In this study, five CM2 carbonaceous chondrites (CM2.2 Nogoya, CM2.3 Jbilet Winselwan, CM2.5 Murchison, CM2 Santa Cruz, and CM2TII Wisconsin Range 91600) were studied with Raman spectroscopy. Carbonates were identified in these meteorite samples by the distinctive Raman band in the ∼1100 cm-1 region, representing the symmetric stretching vibration mode (ν1) of the (CO3)2- anion. Carbonates identified in the meteorite samples are all calcite, with the exception of a single dolomite grain in Nogoya. The v1 positions of the CM calcites are 2-3 cm-1 higher than in pure calcite, which suggests that they contain significant impurity cations. Typical graphitic first-order D and G bands were identified in the meteorite matrix as well as in ∼25% of the analyzed carbonate grains. From the Raman results, we postulate that the carbonates might not have formed under equilibrium conditions from a single fluid. The first generation of carbonate is interpreted to have formed from highly oxidized fluids that led to the oxidation of organic matter (OM) and produced carbonates that are OM-barren. The second generation of carbonate was formed from a more evolved aqueous fluid with the presence of OM. The Raman parameters of the organics in carbonates clearly deviate from the matrix OM which suggests that the carbonate organics contain very different carbonaceous components that are distinct from the typical amorphous OM of the CM matrix. The occurrence of different generations of carbonate in close proximity may be partly responsible for the wide range in estimated ages of carbonates in carbonaceous chondrites reported in previous studies.

  20. Investigating Water Splitting with CaFe2O4 Photocathodes by Electrochemical Impedance Spectroscopy.

    Science.gov (United States)

    Díez-García, María Isabel; Gómez, Roberto

    2016-08-24

    Artificial photosynthesis constitutes one of the most promising alternatives for harvesting solar energy in the form of fuels, such as hydrogen. Among the different devices that could be developed to achieve efficient water photosplitting, tandem photoelectrochemical cells show more flexibility and offer high theoretical conversion efficiency. The development of these cells depends on finding efficient and stable photoanodes and, particularly, photocathodes, which requires having reliable information on the mechanism of charge transfer at the semiconductor/solution interface. In this context, this work deals with the preparation of thin film calcium ferrite electrodes and their photoelectrochemical characterization for hydrogen generation by means of electrochemical impedance spectroscopy (EIS). A fully theoretical model that includes elementary steps for electron transfer to the electrolyte and surface recombination with photogenerated holes is presented. The model also takes into account the complexity of the semiconductor/solution interface by including the capacitances of the space charge region, the surface states and the Helmholtz layer (as a constant phase element). After illustrating the predicted Nyquist plots in a general manner, the experimental results for calcium ferrite electrodes at different applied potentials and under different illumination intensities are fitted to the model. The excellent agreement between the model and the experimental results is illustrated by the simultaneous fit of both Nyquist and Bode plots. The concordance between both theory and experiments allows us to conclude that a direct transfer of electrons from the conduction band to water prevails for hydrogen photogeneration on calcium ferrite electrodes and that most of the carrier recombination occurs in the material bulk. In more general vein, this study illustrates how the use of EIS may provide important clues about the behavior of photoelectrodes and the main strategies

  1. Investigation of Behavior of Forced Degradation of Lidocaine HCl by NMR Spectroscopy and GC-FID Methods: Validation of GC-FID Method for Determination of Related Substance in Pharmaceutical Formulations.

    Science.gov (United States)

    Kadioglu, Yucel; Atila, Alptug; Serdar Gultekin, Mehmet; Alcan Alp, Nurdan

    2013-01-01

    The forced degradation study of lidocaine HCl was carried out according to the ICH guideline Q1A (R2). The degradation conditions were assessed to be hydrolysis, oxidation, photolysis and dry heat during 24 h, 48 h and 72 h and then the samples were investigated by GC-FID method and nuclear magnetic resonance (NMR) spectroscopy. According to these results, the degradation products were not observed in all reaction conditions during the 72 h period. Only spectral changes in the 1H and 13C-NMR spectrum were observed in hydrogen peroxide and acid degradation. As a result of this degradation, n-oxide was formed. After acid-induced degradation with HCl, the secondary amine salt was formed. Furthermore, trifluoroacetic acid (TFA) was used as the acidic media, and the decomposition products were observed. A simple and reliable gas chromatography method with flame ionization detection (GC-FID) was developed and validated for the determination of lidocaine HCl in pharmaceutical formulations in the form of a cream and injections. The GC-FID method can be used for a routine analysis of lidocaine HCl in pharmaceutical formulations and the proposed method, together with NMR spectroscopy, can be applied in stability studies.

  2. Strong Ionization in carbon Nanowires

    CERN Document Server

    Kaymak, Vural; Shlyaptsev, Vyacheslav N; Rocca, Jorge J

    2015-01-01

    Surfaces covered with nanostructures, such as nanowire arrays, have shown to facilitate a significantly higher absorption of laser energy as compared to flat surfaces. Due to the efficient coupling of the laser energy, highly energetic electrons are produced, which in turn can emit intense ultrafast X-ray pulses. In the present work we use full three dimensional PIC simulations to analyze the behavior of arrays of carbon nanowires $400 nm$ in diameter, irradiated by a $\\lambda_0 = 400 nm$ laser pulse of $60 fs$ duration at FWHM and a vector potential of $a_0 = 18$. We analyze the ionization dynamics of the nanowires. We investigate the difference of the ionization strength and structure between linearly and circularly polarized laser beam. The nanowires are found to be fully ionized after about 30 laser cycles. Circularly polarized light reveals a slightly stronger ionization effect.

  3. Application of Raman spectroscopy in forensic investigation of questioned documents involving stamp inks.

    Science.gov (United States)

    Raza, Ali; Saha, Basudeb

    2013-09-01

    Stamp pad inks from different manufacturers across India have been analyzed to investigate the feasibility of Raman scattering as a tool for forensic analysis of questioned documents involving stamp inks. Nine different stamping inks were analyzed by both Raman spectroscopic and HPTLC methods. The results demonstrate the effectiveness of these methods in classifying the investigated stamping inks based on their spectral pattern and HPTLC chromatogram. Raman scattering tool was able to determine the sequence of heterogeneous intersection strokes involving a blue stamp pad ink and other writing instruments, such as ballpoint pen ink (red and black), pencil and laser printer toner. However, this method was unable to resolve the exact sequencing for the intersection strokes involving investigated stamp ink and blue ballpoint ink or gel pen ink (all colors).

  4. Influence of renormalization shielding on the electron-impact ionization process in dense partially ionized plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Song, Mi-Young; Yoon, Jung-Sik [Plasma Technology Research Center, National Fusion Research Institute, 814-2 Osikdo-Dong, Gunsan-City, Jeollabuk-Do 573-540 (Korea, Republic of); Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr [Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 8th Street, Troy, New York 12180-3590 (United States); Department of Applied Physics and Department of Bionanotechnology, Hanyang University, Ansan, Kyunggi-Do 426-791 (Korea, Republic of)

    2015-04-15

    The renormalization shielding effects on the electron-impact ionization of hydrogen atom are investigated in dense partially ionized plasmas. The effective projectile-target interaction Hamiltonian and the semiclassical trajectory method are employed to obtain the transition amplitude as well as the ionization probability as functions of the impact parameter, the collision energy, and the renormalization parameter. It is found that the renormalization shielding effect suppresses the transition amplitude for the electron-impact ionization process in dense partially ionized plasmas. It is also found that the renormalization effect suppresses the differential ionization cross section in the peak impact parameter region. In addition, it is found that the influence of renormalization shielding on the ionization cross section decreases with an increase of the relative collision energy. The variations of the renormalization shielding effects on the electron-impact ionization cross section are also discussed.

  5. Investigation of mutagenic effects in personnel occupationally exposed to ionizing radiation in Brazil; Investigacao de efeitos mutagenicos em trabalhadores expostos a radiacao ionizante no Brasil

    Energy Technology Data Exchange (ETDEWEB)

    Cunha Junior, Luiz Raimundo Campos da Silva e

    2015-07-01

    Ionizing radiation (IR) are present in most of the early diagnosis of a multitude of diseases, many cancers are included, and have the characteristic of a quick and accurate diagnosis, and often cheaper. The use of this type of energy but requires specific care protection, since the IR has a characteristic of altering the genetic material through mutations. The radiology area operators in hospitals are the class of workers who are exposed more directly and thus are targets of investigations that may assist in understanding the interaction of IR with the biological material, in addition to assisting these professionals in requirement radiological protection We collected 73 samples of individuals working in various radiology departments in five hospitals in four different states in Brazil (Sao Paulo, Minas Gerais, Rio Grande do Sul and Para). The selection criteria for participation were: at least 18 years old and 2 years in the profession, not alcoholic or smoker, not taking drugs. For cytogenetic analysis were performed the comet test and micronucleus, and chromosome aberration study. This study was approved by ethics committee All the samples were compared to individuals of the same age and gender who have not gone through any kind of radiological examination in the last 6 months. When compared with the control, MN tests and AC showed a total damage, using the t test, the database and SPSS BioEstat. The comet assay showed a higher level of damage compared to controls (0.84 0,47). the average age was established and made relationship between gender and age of the participants, the more damage levels in females compared to males. Individuals aged over 45 years also showed a higher level of damage when compared with the age. A factor to be taken into consideration is that the population of Porto Alegre present a lower level of damage compared to other groups, and most likely this event due to the use of DR equipment Direct conversion. The Belo Horizonte and Ribeirao

  6. Iron-Sulfur Proteins Investigated by EPR-, Moessbauer- and EXAFS-Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wegner, P.; Bever, M.; Schuenemann, V.; Trautwein, A. X. [University of Luebeck, Institute of Physics (Germany); Schmidt, C. [University of Luebeck, Institute of Biochemistry (Germany); Boenisch, H. [Center for Structural Biochemistry, Karolinska Institutet, Dept. of Biosciences at NOVUM (Sweden); Gnida, M.; Meyer-Klaucke, W. [DESY, EMBL Outstation Hamburg (Germany)

    2004-12-15

    The structural and spectroscopic properties of the biologically active [Fe-4S] site of three different mutants of the wild-type rubredoxin from the archaeon Pyrococcus abyssi were investigated and compared with each other and additionally with those of the rubredoxin from the bacterium Clostridium pasteurianum.

  7. Investigation of drug-excipient interactions in lapatinib amorphous solid dispersions using solid-state NMR spectroscopy.

    Science.gov (United States)

    Song, Yang; Yang, Xinghao; Chen, Xin; Nie, Haichen; Byrn, Stephen; Lubach, Joseph W

    2015-03-02

    This study investigated the presence of specific drug-excipient interactions in amorphous solid dispersions of lapatinib (LB) and four commonly used pharmaceutical polymers, including Soluplus, polyvinylpyrrolidone vinyl acetate (PVPVA), hydroxypropylmethylcellulose acetate succinate (HPMCAS), and hydroxypropylmethylcellulose phthalate (HPMCP). Based on predicted pKa differences, LB was hypothesized to exhibit a specific ionic interaction with HPMCP, and possibly with HPMCAS, while Soluplus and PVPVA were studied as controls without ionizable functionality. Thermal studies showed a single glass transition (Tg) for each dispersion, in close agreement with predicted values for Soluplus, PVPVA, and HPMCAS systems. However, the Tg values of LB-HPMCP solid dispersions were markedly higher than predicted values, indicating a strong intermolecular interaction between LB and HPMCP. (15)N solid-state NMR provided direct spectroscopic evidence for protonation of LB (i.e., salt formation) within the HPMCP solid dispersions. (1)H T1 and (1)H T1ρ relaxation studies of the dispersions supported the ionic interaction hypothesis, and indicated multiple phases in the cases of excess drug or polymer. In addition, the dissolution and stability behavior of each system was examined. Both acidic polymers, HPMCAS and HPMCP, effectively inhibited the crystallization of LB on accelerated stability, likely owing to beneficial strong intermolecular hydrogen and/or specific ionic bonds with the acidic polymers. Soluplus and PVPVA showed poor physical properties on stability and subsequently poor crystallization inhibition.

  8. Investigation of burn effect on skin using simultaneous Raman-Brillouin spectroscopy, and fluorescence microspectroscopy

    Science.gov (United States)

    Coker, Zachary; Meng, Zhaokai; Troyanova-Wood, Maria; Traverso, Andrew; Ballmann, Charles; Petrov, Georgi; Ibey, Bennett L.; Yakovlev, Vladislav

    2017-02-01

    Burns are thermal injuries that can completely damage or at least compromise the protective function of skin, and affect the ability of tissues to manage moisture. Burn-damaged tissues exhibit lower elasticity than healthy tissues, due to significantly reduced water concentrations and plasma retention. Current methods for determining burn intensity are limited to visual inspection, and potential hospital x-ray examination. We present a unique confocal microscope capable of measuring Raman and Brillouin spectra simultaneously, with concurrent fluorescence investigation from a single spatial location, and demonstrate application by investigating and characterizing the properties of burn-afflicted tissue on chicken skin model. Raman and Brillouin scattering offer complementary information about a material's chemical and mechanical structure, while fluorescence can serve as a useful diagnostic indicator and imaging tool. The developed instrument has the potential for very diverse analytical applications in basic biomedical science and biomedical diagnostics and imaging.

  9. Surface Investigation of Photo-Degraded Wood by Colour Monitoring, Infrared Spectroscopy, and Hyperspectral Imaging

    OpenAIRE

    Giorgia Agresti; Giuseppe Bonifazi; Luca Calienno; Giuseppe Capobianco; Angela Lo Monaco; Claudia Pelosi; Rodolfo Picchio; Silvia Serranti

    2013-01-01

    The aim of this investigation is to study the changes occurring on the surface of poplar wood exposed to artificial irradiation in a Solar Box. Colour changes were monitored with a reflectance spectrophotometer. Surface chemical modifications were evaluated by measuring the infrared spectra. Hyperspectral imaging was also applied to study the surface wood changes in the visible-near infrared and the short wave infrared wavelength ranges. The data obtained from the different techniques were co...

  10. Semiconductors Investigated by Time Resolved Raman Absorption and Photoluminescence Spectroscopy Using Femtosecond and Picosecond Laser Techniques.

    Science.gov (United States)

    1983-05-05

    This report summarizes the research progress achieved in the period 1979-1982 in the research effort supported by AFOSR 80-0079. Two main areas of research are: picosecond and subpicosecond laser development and application and time-resolved studies of semiconductors. In the subpicosecond laser development program we investigated a variety of cavities of different physical parameters. A stable and reliable oscillator, which produces 200 fsec pulses, has been developed using

  11. Fire debris analysis for forensic fire investigation using laser induced breakdown spectroscopy (LIBS)

    Science.gov (United States)

    Choi, Soojin; Yoh, Jack J.

    2017-08-01

    The possibility verification of the first attempt to apply LIBS to arson investigation was performed. LIBS has capabilities for real time in-situ analysis and depth profiling. It can provide valuable information about the fire debris that are complementary to the classification of original sample components and combustion residues. In this study, fire debris was analyzed to determine the ignition source and existence of a fire accelerant using LIBS spectra and depth profiling analysis. Fire debris chemical composition and carbon layer thickness determines the possible ignition source while the carbon layer thickness of combusted samples represents the degree of sample carbonization. When a sample is combusted with fire accelerants, a thicker carbon layer is formed because the burning rate is increased. Therefore, depth profiling can confirm the existence of combustion accelerants, which is evidence of arson. Also investigation of fire debris by depth profiling is still possible when a fire is extinguished with water from fire hose. Such data analysis and in-situ detection of forensic signals via the LIBS may assist fire investigation at crime scenes.

  12. Band bending at copper and gold interfaces with ferroelectric Pb(Zr,Ti)O3 investigated by photoelectron spectroscopy

    Science.gov (United States)

    Apostol, Nicoleta G.; Ştoflea, Laura E.; Tănase, Liviu C.; Bucur, Ioana Cristina; Chirilă, Cristina; Negrea, Raluca F.; Teodorescu, Cristian M.

    2015-11-01

    Interfaces formed by gold and copper on single crystal layers of (0 0 1) PbZr0.2Ti0.8O3 (PZT) produced by pulsed laser deposition and exhibiting outwards polarization are analyzed by X-ray photoelectron spectroscopy. The stoichiometry of the layers reproduces reasonably that of the PZT target. The band bending occurring at the interface between PZT and the metals is investigated by analyzing the core level shifts as function on the metal deposition. It is found that for Au/PZT(0 0 1) the gold layer is not continuous and the observed band bendings can be attributed to a Schottky mechanism, whereas for Cu/PZT(0 0 1) the copper layer is continuous; in this latter case, the observed band bendings towards higher energies (lower binding energies) can be attributed to a concomitant bending due to the Schottky effect together with the disappearance of the initial bending due to the outwards polarization of the samples. Metal Pb is observed to segregate only in the case of Cu/PZT(0 0 1), therefore the surface self-reduction might also be connected to the presence of a metal with lower work function, which for larger coverage forms a continuous metal layer, able to provide electrons to the surface. High resolution transmission electron spectroscopy yielded the disappearance of the tetragonal distortion in the case of Cu/PZT(0 0 1), in line with the assumption of disappearance of the polarization-induced band bending.

  13. Irradiation-induced degradation of PTB7 investigated by valence band and S 2p photoelectron spectroscopy

    Science.gov (United States)

    Darlatt, Erik; Muhsin, Burhan; Roesch, Roland; Lupulescu, Cosmin; Roth, Friedrich; Kolbe, Michael; Gottwald, Alexander; Hoppe, Harald; Richter, Mathias

    2016-08-01

    Monochromatic radiation with known absolute radiant power from an undulator at the electron storage ring Metrology Light Source (MLS) was used to irradiate PTB7 (a thieno[3, 4-b]thiophene-alt-benzodithiophene polymer) thin films at wavelengths (photon energies) of 185 nm (6.70 eV), 220 nm (5.64 eV), 300 nm (4.13 eV), 320 nm (3.88 eV), 356 nm (3.48 eV) and 675 nm (1.84 eV) under ultra-high vacuum conditions for the investigation of radiation-induced degradation effects. The characterization of the thin films is focused at ultraviolet photoelectron spectroscopy (UPS) of valence bands and is complemented by S 2p x-ray photoelectron spectroscopy (S 2p XPS) before and after the irradiation procedure. The radiant exposure was determined for each irradiation by means of photodiodes traceably calibrated to the international system of units SI. The valence band spectra show the strongest changes for the shortest wavelengths and no degradation effect at 356 nm and 675 nm even with the highest radiant exposure applied. In the spectral range where the Sun appears bright on the Earth’s surface, no degradation effects are observed.

  14. Structural modifications of Tilia cordata wood during heat treatment investigated by FT-IR and 2D IR correlation spectroscopy

    Science.gov (United States)

    Popescu, Maria-Cristina; Froidevaux, Julien; Navi, Parviz; Popescu, Carmen-Mihaela

    2013-02-01

    It is known that heat treatment of wood combined with a low percent of relative humidity causes transformations in the chemical composition of it. The modifications and/or degradation of wood components occur by hydrolysis, oxidation, and decarboxylation reactions. The aim of this study was to give better insights on wood chemical modifications during wood heat treatment under low temperature at about 140 °C and 10% percentage of relative humidity, by infrared, principal component analysis and two dimensional infrared correlation spectroscopy. For this purpose, hardwood samples of lime (Tilia cordata) were investigated and analysed. The infrared spectra of treated samples were compared with the reference ones, the most important differences being observed in the "fingerprint" region. Due to the complexity of this region, which have contributions from all the wood constituents the chemical changes during hydro-thermal treatment were examined in detail using principal component analysis and 2D IR correlation spectroscopy. By hydro-thermal treatment of wood results the formation of acetic acid, which catalyse the hydrolysis reactions of hemicelluloses and amorphous cellulose. The cleavage of the β-O-4 linkages and splitting of the aliphatic methoxyl chains from the aromatic lignin ring was also observed. For the first treatment interval, a higher extent of carbohydrates degradation was observed, then an increase of the extent of the lignin degradation also took place.

  15. Investigation of the interaction between sophoricoside and human serum albumin by optical spectroscopy and molecular modeling methods

    Science.gov (United States)

    Tang, Jianghong; Lian, Ning; He, Xianghong; Zhang, Guohua

    2008-10-01

    The interaction of sophoricoside and human serum albumin (HSA) was investigated by UV-absorption, fluorescence spectroscopy and Fourier transform infrared (FT-IR) spectroscopy at simulative physiological pH with sophoricoside concentrations of 3.0 × 10 -6 to 2.3 × 10 -5 mol L -1. The experimental results suggested that the intrinsic fluorescence of HSA was quenched by addition of sophoricoside through static quenching mechanism. The interaction between sophoricoside and HSA was occurred via a single class of binding site. The binding constants at 290, 301, 310 and 318 K were 6.19 × 10 4, 4.69 × 10 4, 3.54 × 10 4, 3.11 × 10 4 L mol -1, respectively. In the presence of sophoricoside the protein secondary structure changed in aqueous solution. The standard enthalpy change (-19.44 kJ mol -1) and standard entropy change (24.71 J mol -1 K -1) of the binding reaction revealed that hydrophobic interaction was the predominant binding force. In addition, molecular modeling showed that sophoricoside was bound within the subdomain IIA of the HSA.

  16. Investigation of radial temperature gradients in diode pumped alkali lasers using tunable diode laser absorption spectroscopy

    Science.gov (United States)

    Fox, Charles D.; Perram, Glen P.

    2012-03-01

    Heat loads in Diode Pumped Alkali Lasers (DPAL) have been investigated using a diode laser to probe the radial dependence of the absorbance. A TiS pump laser heats the medium in a T=50-100°C cesium heat pipe with 5 Torr nitrogen used for quenching. A tunable diode laser probes the spectral absorbance of the cesium cell. Local alkali concentration, temperature, and saturation broadening modify Voigt lineshapes in the wing of the hyperfine split lines. The temperature within the pumped volume exceeds the wall temperature by almost 200 C.

  17. Frontiers of Optical Spectroscopy Investigating Extreme Physical Conditions with Advanced Optical Techniques

    CERN Document Server

    Bartolo, Baldassare

    2005-01-01

    Advanced spectroscopic techniques allow the probing of very small systems and very fast phenomena, conditions that can be considered "extreme" at the present status of our experimentation and knowledge. Quantum dots, nanocrystals and single molecules are examples of the former and events on the femtosecond scale examples of the latter. The purpose of this book is to examine the realm of phenomena of such extreme type and the techniques that permit their investigations. Each author has developed a coherent section of the program starting at a somewhat fundamental level and ultimately reaching the frontier of knowledge in the field in a systematic and didactic fashion. The formal lectures are complemented by additional seminars.

  18. Irradiation free radicals in freshwater crayfish Astacus leptodactylus Esch investigated by EPR spectroscopy

    Science.gov (United States)

    Bercu, V.; Negut, C. D.; Duliu, O. G.

    2017-04-01

    The free radicals of irradiated crayfish Astaculs leptodactylus cuticle were studied by X-band electron paramagnetic resonance. The kinetic behaviour as well as the thermal stability of the radiation-induced free radicals in crayfish cuticle were investigated by means of both isothermal and isochronal annealing. Both short, presumable juvenile and long, mature exemplars of freshwater crayfish were investigated. Only the long exemplars cuticle displayed the presence of Mn2+ ions, very similar to those reported for Mn2+ ions in calcite. The 200 °C isothermal annealing studies attested the existence of a multitude of radical species, some of them being generated during the first minutes of thermal treatment and then partially of totally vanishing. Regardless these peculiarities, the EPR spectrum of 15 kGy irradiated cuticle showed remarkable time stability, its amplitude decreasing with about 18% after more than 16 months of storage at room temperature. The implications of these observations regarding the diversity of irradiation free radicals as well as their suitability to identify gamma radiation decontamination treatment are discussed.

  19. Investigation of the cerebral energy status in patients with glutaric aciduria type I by 31P magnetic resonance spectroscopy.

    Science.gov (United States)

    Möller, H E; Koch, H G; Weglage, J; Freudenberg, F; Ullrich, K

    2003-04-01

    In vivo phosphorus magnetic resonance spectroscopy (MRS) was used to investigate markers of the cerebral energy status in two patients with glutaric aciduria type I (GA-I). Besides an increased concentration of phosphomonoesters in one patient, no other significant alterations from controls were found. This might indicate increased resynthesis of dendritic processes secondary to preceding metabolic crises. In contrast to previous cell-culture studies, no cerebral depletion of phosphocreatine (PCr) was observed. In conclusion, a severe global and permanent depletion of cerebral energy supplies must be ruled out. The benefit of a permanent creatine substitution to stabilize mitochondrial energy metabolism seems thus questionable. However, as MRS was performed during stable clinical conditions, the possibility of a PCr decrease during acute metabolic crises cannot be assessed.

  20. Investigation of pharmaceutical drugs and caffeine-containing foods using Fourier and terahertz time-domain spectroscopy

    Science.gov (United States)

    KaraliÅ«nas, Mindaugas; Venckevičius, Rimvydas; Kašalynas, Irmantas; Puc, Uroš; Abina, Andreja; Jeglič, Anton; Zidanšek, Aleksander; Valušis, Gintaras

    2015-08-01

    Several pharmaceutical drugs, such as alprazolam, ibuprofen, acetaminophen, activated carbon and others, and caffeine-containing foods were tested using terahertz (THz) time domain spectroscopy in the range from 0.3 to 2 THz. The dry powder of pharmaceutical drugs was mixed with HDPE and pressed into the pellets using hydraulic press. The coffee grounds were also pressed into the pellets after ball-milling and mixing with HDPE. The caffeine containing liquid foods were dried out on the paper strips of various stacking. Experiments allow one to determine characteristic spectral signatures of the investigated substances within THz range caused by active pharmaceutical ingredients, like in the case of caffeine, as well as supporting pharmaceutical ingredients. Spectroscopic THz imaging approach is considered as a possible option to identify packaged pharmaceutical drugs. The caffeine spectral features in the tested caffeine containing foods are difficult to observed due to the low caffeine concentration and complex caffeine chemical surrounding.

  1. Investigation of Filtration Membranes from the Dairy Protein Industry for Residual Fouling Using Infrared Spectroscopy and Chemometrics

    DEFF Research Database (Denmark)

    Jensen, Jannie Krog

    the result showed that the MCR model needed three factors to describe the system, one describing the membrane material (polyethersulfone, PES), and two describing the residual fouling that is present on the membrane. The MCR method improved the interpretation of the models considerably compared to e.g. PCA...... or the univariate data analysis. However, it also became evident that the penetration depth of the infrared beam creates additional complexity when measuring semi-solid layered samples. In order to obtain an overview of the different analysis methods and data analysis methods that have been employed by other...... how the application of multivariate infrared spectroscopy combined with new data analysis methods has augmented the knowledge about residual fouling on real size production membranes. The information obtained can be used to investigate and monitor residual membrane fouling and help in the design...

  2. Electrooxidation of ethanol on Pt and PtRu surfaces investigated by ATR surface-enhanced infrared absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Marcio F.; Camara, Giuseppe A., E-mail: giuseppe.silva@ufms.br [Departamento de Quimica, Universidade Federal do Mato Grosso do Sul, Campo Grande-MS (Brazil); Batista, Bruno C.; Boscheto, Emerson [Instituto de Quimica de Sao Carlos, Universidade de Sao Paulo, Sao Carlos-SP, (Brazil); Varela, Hamilton, E-mail: varela@iqsc.usp.br [Ertl Center for Electrochemistry and Catalysis, Gwangju Institute of Science and Technology (GIST), Gwangju (Korea, Republic of)

    2012-05-15

    Herein, it was investigated for the first time the electro-oxidation of ethanol on Pt and PtRu electrodeposits in acidic media by using in situ surface enhanced infrared absorption spectroscopy with attenuated total reflection (ATR-SEIRAS). The experimental setup circumvents the weak absorbance signals related to adsorbed species, usually observed for rough, electrodeposited surfaces, and allows a full description of the CO coverage with the potential for both catalysts. The dynamics of adsorption-oxidation of CO was accessed by ATR-SEIRAS experiments (involving four ethanol concentrations) and correlated with expressions derived from a simple kinetic model. Kinetic analysis suggests that the growing of the CO adsorbed layer is nor influenced by the presence of Ru neither by the concentration of ethanol. The results suggest that the C-C scission is not related to the presence of Ru and probably happens at Pt sites. (author)

  3. Investigation of neutral and ion dynamics in a HiPIMS plasma by tunable laser diode absorption spectroscopy (TDLAS)

    Science.gov (United States)

    Preissing, Patrick; Hecimovic, Ante; von Keudell, Achim

    2016-09-01

    High power impulse magnetron sputtering (HiPIMS) discharges are known for complex plasma interactions, and complex temporal and spatial dynamics. Spatial and temporal dynamic of argon metastable (Arm), Ti atom (Ti0) and Ti ion (Ti+) density and temperature is studied by an extended tunable diode laser absorption spectroscopy setup (TDLAS) during a HiPIMS pulse. The TDLAS setup used a beam expander in combination with a 6 photo diode array to simultaneously measure spatial (resolution 5 mm) and time resolved absorption profiles of an Arm, Ti0 and Ti+ transition. This in combination with moving the magnetron in axial direction gives a complete 2D map of the density evolution. Temporal resolution of 400 ns was achieved by recording the photo diode signal on the National Instruments card. Final results allowed to investigate temporal evolution of the observed species in the volume between the target and the substrate.

  4. Silicidation in Ni/Si thin film system investigated by X-ray diffraction and Auger electron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Abhaya, S. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Amarendra, G. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India)]. E-mail: amar@igcar.gov.in; Kalavathi, S. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Gopalan, Padma [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Kamruddin, M. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Tyagi, A.K. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Sastry, V.S. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Sundar, C.S. [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India)

    2007-02-15

    Silicide formation induced by thermal annealing in Ni/Si thin film system has been investigated using glancing incidence X-ray diffraction (GIXRD) and Auger electron spectroscopy (AES). Silicide formation takes place at 870 K with Ni{sub 2}Si, NiSi and NiSi{sub 2} phases co-existing with Ni. Complete conversion of intermediate silicide phases to the final NiSi{sub 2} phase takes place at 1170 K. Atomic force microscopy measurements have revealed the coalescence of pillar-like structures to ridge-like structures upon silicidation. A comparison of the experimental results in terms of the evolution of various silicide phases is presented.

  5. Investigation of interface dipole formation of dithiocarbamate molecules on gold by density functional theory and photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Tobias; Schulz, Philip; Meyer, Dominik; Wuttig, Matthias [I. Physikalisches Institut, RWTH Aachen University (Germany); Mazzarello, Riccardo [Institut fuer Theoretische Physik C, RWTH Aachen University (Germany)

    2011-07-01

    One of the main challenges in constructing organic optoelectronic devices is to control the charge carrier injection between the active organic material and metal contact electrodes. The insertion of a self assembled monolayer (SAM) between the organic/inorganic interface depicts an advantageous way to align the metal work function to the frontier molecular orbitals of adjacent organic species. In this study Dithiocarbamate terminated molecules (DTC) on gold have been investigated as a potential SAM building block. Photoelectron Spectroscopy reveals a strong lowering of the metal work function upon adsorption of DTC molecules. Hence, calculations employing density functional theory (DFT) have been conducted in order to correlate this effect to the formation of a layer of permanent as well as induced dipoles.

  6. In-situ investigation of Bi thin film condensation by surface sensitive X-ray absorption spectroscopy at cryogenic temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Luetzenkirchen-Hecht, D; Markert, C; Wagner, R; Frahm, R, E-mail: dirklh@uni-wuppertal.d [Dept. of Physics, Univ. of Wuppertal, Gaussstr. 20, 42097 Wuppertal (Germany)

    2009-11-15

    Reflection mode grazing incidence X-ray absorption spectroscopy at the Bi L{sub 3}-edge and simultaneous electrical resistivity measurements were used to investigate the microstructure of quench condensed thin Bi metal films on float-glass substrates at temperatures from 20 K to 300 K. While thin films of {approx} 6 nm thickness appear to be amorphous after deposition at 20 K, thicker films of about 18 nm show the well-known rhombohedral structure of bulk Bi. During a subsequent heat treatment, the amorphous structure of the thin films transforms irreversibly into the crystalline form for temperatures at (42 {+-} 2) K. This crystallisation is accompanied by an irreversible increase of the film resistivity by a factor of more than 2.7. The film density and roughness do not change within detection limits during the heat treatment.

  7. Grazing incidence X-ray absorption spectroscopy under non-ambient conditions: Investigations of liquid surfaces at DELTA beamline 8

    Science.gov (United States)

    Lützenkirchen-Hecht, D.; Wagner, R.; Bieder, S.; Frahm, R.

    2013-03-01

    A setup for the investigation of liquid surfaces using grazing incidence X-ray absorption spectroscopy has been installed at the hard X-ray beamline BL 8 at the 1.5 GeV electron storage ring DELTA. While the 6-axis diffractometer endstation of the beamline accommodates a Langmuir trough, the double mirror device which is originally used for the harmonic rejection of low energy beams was used to deflect the beam downwards, defining thereby the incidence angle for the reflection and fluorescence mode EXAFS experiments in a Θ-Θ-geometry. Results obtained during the biomineralization of iron oxides on a Langmuir film of stearic acid show the feasibility of grazing incidence EXAFS measurements that may provide valuable information about the molecular structure of the formed iron oxide phases.

  8. Investigating the nature of the Fried Egg nebula: CO mm-line and optical spectroscopy of IRAS 17163-3907

    CERN Document Server

    Wallström, Sofia H J; Lagadec, E; Black, J H; Oudmaijer, R D; Justtanont, K; van Winckel, H; Zijlstra, A A

    2015-01-01

    Through CO mm-line and optical spectroscopy, we investigate the properties of the Fried Egg nebula IRAS 17163-3907, which has recently been proposed to be one of the rare members of the yellow hypergiant class. The CO J=2-1 and J=3-2 emission arises from a region within 20" of the star and is clearly associated with the circumstellar material. The CO lines show a multi-component asymmetrical profile, and an unexpected velocity gradient is resolved in the east-west direction, suggesting a bipolar outflow. This is in contrast with the apparent symmetry of the dust envelope as observed in the infrared. The optical spectrum of IRAS 17163-3907 between 5100 and 9000 {\\AA} was compared with that of the archetypal yellow hypergiant IRC+10420 and was found to be very similar. These results build on previous evidence that IRAS 17163-3907 is a yellow hypergiant.

  9. Interaction of plasma-generated water cluster ions with chemically-modified Si surfaces investigated by infrared absorption spectroscopy

    Directory of Open Access Journals (Sweden)

    Ayumi Hirano-Iwata

    2016-03-01

    Full Text Available We have investigated the interaction of water cluster ions generated by discharge plasma, with chemically modified Si surfaces using infrared absorption spectroscopy in the multiple internal reflection geometry. We observe that water cluster ions readily adsorb on SiO2-covered Si surfaces to form water droplets. We demonstrate that positively- and negatively-charged cluster ions adsorb on the SiO2-covered Si surface in different manners, indicating ionic interaction of the water droplets with the negatively-charged SiO2 surface. Water droplets formed on the protein-coated surface rupture the amide bond of the proteins, suggesting the function of protein decomposition of water cluster ions.

  10. Interaction of plasma-generated water cluster ions with chemically-modified Si surfaces investigated by infrared absorption spectroscopy

    Science.gov (United States)

    Hirano-Iwata, Ayumi; Matsumura, Ryosuke; Ma, Teng; Kimura, Yasuo; Niwano, Michio; Nishikawa, Kazuo

    2016-03-01

    We have investigated the interaction of water cluster ions generated by discharge plasma, with chemically modified Si surfaces using infrared absorption spectroscopy in the multiple internal reflection geometry. We observe that water cluster ions readily adsorb on SiO2-covered Si surfaces to form water droplets. We demonstrate that positively- and negatively-charged cluster ions adsorb on the SiO2-covered Si surface in different manners, indicating ionic interaction of the water droplets with the negatively-charged SiO2 surface. Water droplets formed on the protein-coated surface rupture the amide bond of the proteins, suggesting the function of protein decomposition of water cluster ions.

  11. Investigation on the Competition Interaction of Synthetic Food Colorants and Ciprofloxacin Hydrochloride with Bovine Serum Albumin by Fluorescence Spectroscopy

    Directory of Open Access Journals (Sweden)

    Baosheng Liu

    2011-01-01

    Full Text Available The effects of synthetic food colorants like tartrazine (TTZ, sunset yellow (SY, and erythrosine (ETS on the binding reaction between ciprofloxacin hydrochloride (CPFX and bovine serum albumin (BSA were investigated by fluorescence spectroscopy in the aqueous solution of pH = 7.40. Results showed that CPFX caused the fluorescence quenching of BSA through a static quenching procedure and the primary binding site was located at subdomain IIA of BSA (site I. According to the calculated thermodynamic parameters, it confirmed that CPFX bound to BSA by electrostatic interaction. In addition, the colorants affected the formation of BSA-CPFX complex. This resulted in an increase of the free, biological active fraction of CPFX. The binding distance of BSA-CPFX systems was evaluated according to Förster's theory. Results suggested that the binding distance were increased in the presence of synthetic food colorants.

  12. The use of dielectric spectroscopy in the investigation of the effect of polymer choice on the flocculation of polystyrene particles

    DEFF Research Database (Denmark)

    Christensen, Peter Vittrup; Hinge, Mogens; Keiding, Kristian

    2009-01-01

    The flocculation of colloidal suspensions using synthetic polymeric flocculants is an important operation in separation processes. Optimizing flocculant use requires insight into the underlying mechanisms governing flocculation. As most existing methods for the online characterization of floccula......The flocculation of colloidal suspensions using synthetic polymeric flocculants is an important operation in separation processes. Optimizing flocculant use requires insight into the underlying mechanisms governing flocculation. As most existing methods for the online characterization...... of flocculation processes can only be used on dilute suspensions, new methods applicable at high solid content levels are of interest. This study used dielectric spectroscopy to investigate the mechanisms involved in the flocculation of polystyrene particles with three different cationic polymers. We observed...... that the relaxation time of the dielectric dispersion increased as particle flocculation was initiated. Reduction of particle charge due to polymer addition was found to reduce the magnitude of the dielectric dispersion, whereas the formation of aggregates increased it. This resulted in decreasing magnitude when...

  13. Investigation of multiferroic properties in MnWO{sub 4} by SHG-spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Maringer, Michael; Meier, Dennis; Lottermoser, Thomas; Yuan, Gouliang; Fiebig, Manfred [HISKP, Universitaet Bonn (Germany); Becker, Petra; Bohaty, Ladislav [Institut fuer Kristallographie, Universitaet zu Koeln (Germany)

    2008-07-01

    Magnetoelectric multiferroics, i.e. compounds displaying magnetic and ferroelectric order in the same phase, attract considerable attention from the point of view of potential device application as well as fundamental physics. In the so-called spin-spiral compounds the interaction is particularly pronounced. Here we introduce optical second harmonic generation (SHG) as a powerful tool for the study of magnetic and eletronic properties and their magnetoelectric interaction in spin-spiral compounds, taking MnWO{sub 4} as an example. SHG gives detailed information about the symmetry of crystalline phases and about symmetry changes caused by phase transitions. In particular, in MnWO{sub 4} the (anti)ferromagnetic incommensurate phase and the magnetically induced ferroelectric, state are investigated. Although the magnetically induced spontaneous polarization is about four orders of magnitude weaker than in a conventional ferroelectric, a pronounced SHG signal is obtained.

  14. Helium-Implantation-Induced Damage in NHS Steel Investigated by Slow-Positron Annihilation Spectroscopy

    Science.gov (United States)

    Li, Yuan-Fei; Shen, Tie-Long; Gao, Xing; Gao, Ning; Yao, Cun-Feng; Sun, Jian-Rong; Wei, Kong-Fang; Li, Bing-Sheng; Zhang, Peng; Cao, Xing-Zhong; Zhu, Ya-Bin; Pang, Li-Long; Cui, Ming-Huan; Chang, Hai-Long; Wang, Ji; Zhu, Hui-Ping; Wang, Dong; Song, Peng; Sheng, Yan-Bin; Zhang, Hong-Peng; Hu, Bi-Tao; Wang, Zhi-Guang

    2014-03-01

    Evolutions of defects and helium contained defects produced by atomic displacement and helium deposition with helium implantation at different temperatures in novel high silicon (NHS) steel are investigated by a slow positron beam. Differences of the defect information among samples implanted by helium to a fluence of 1 × 1017 ions/cm2 at room temperature, 300°C, 450°C and 750°C are discussed. It is found that the mobility of vacancies and vacancy clusters, a recombination of vacancy-type defects and the formation of the He-V complex lead to the occurrence of these differences. At high temperature irradiations, a change of the diffusion mechanism of He atoms/He bubbles might be one of the reasons for the change of the S-parameter.

  15. Investigation of the chemical vicinity of defects in Mg and AZ31 with positron coincident Doppler boarding spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Stadlbauer, Martin

    2008-03-10

    Within the scope of the present work, two main goals have been achieved: Firstly, the coincident Doppler broadening spectrometer (CDBS) at the high intense positron source NEPOMUC has been elaborately improved in order to increase the spatial resolution for defect mapping measurements and to investigate samples with shallow positron trapping sites which are present e. g. in magnesium. Secondly, as an application, the chemical vicinity of defects in the industrially used magnesium based alloy AZ31 has been examined by means of the detailed investigation of ion-irradiated specimen with positron annihilation spectroscopy. Detailed simulations with the finite-element simulation tool COMSOL were used to optimize the focal diameter of the positron beam at the sample position in order to increase the spatial resolution. With a value of 0.3 mm, sub-mm resolution has now been reached. The CDBS has been furthermore equipped with a sample cooling unit in order to reach liquid nitrogen temperature, maintaining the feature of scanning the sample for defect mapping. Defects and their chemical surrounding in ion irradiated magnesium and the magnesium based alloy AZ31 were then investigated on an atomic scale with the CDBS. In the respective spectra the chemical information and the defect contribution have been thoroughly separated. For this purpose, samples of annealed Mg were irradiated with Mg-ions in order to create exclusively defects. In addition Al- and Zn-ion irradiations on Mg-samples were performed in order to create samples with both defects and impurity atoms. The ion irradiated area on the samples was investigated with laterally and depth resolved positron Doppler broadening spectroscopy (DBS) and compared with SRIM-simulations of the vacancy distribution. The investigation of the chemical vicinity of crystal defects in AZ31 was performed with CDBS on Mg-ion irradiated AZ31 with Mg-ion irradiated Mg. The outer tail of the energy distribution in the annihilation

  16. Laser resonance ionization scheme development for tellurium and germanium at the dual Ti:Sa–Dye ISOLDE RILIS

    Energy Technology Data Exchange (ETDEWEB)

    Day Goodacre, T., E-mail: thomas.day.goodacre@cern.ch [CERN, CH-1211 Geneva 23 (Switzerland); School of Physics and Astronomy, The University of Manchester, Manchester M13 9PL (United Kingdom); Fedorov, D. [Petersburg Nuclear Physics Institute, 188350 Gatchina (Russian Federation); Fedosseev, V.N.; Forster, L.; Marsh, B.A. [CERN, CH-1211 Geneva 23 (Switzerland); Rossel, R.E. [CERN, CH-1211 Geneva 23 (Switzerland); Institut für Physik, Johannes Gutenberg Universität, D-55099 Mainz (Germany); Faculty of Design, Computer Science and Media, Hochschule RheinMain, Wiesbaden (Germany); Rothe, S.; Veinhard, M. [CERN, CH-1211 Geneva 23 (Switzerland)

    2016-09-11

    The resonance ionization laser ion source (RILIS) is the principal ion source of the ISOLDE radioactive beam facility based at CERN. Using the method of in-source laser resonance ionization spectroscopy, a transition to a new autoionizing state of tellurium was discovered and applied as part of a three-step, three-resonance, photo-ionization scheme. In a second study, a three-step, two-resonance, photo-ionization scheme for germanium was developed and the ionization efficiency was measured at ISOLDE. This work increases the range of ISOLDE RILIS ionized beams to 31 elements. Details of the spectroscopy studies are described and the new ionization schemes are summarized.

  17. Laser resonance ionization scheme development for tellurium and germanium at the dual Ti:Sa–Dye ISOLDE RILIS

    CERN Document Server

    Day Goodacre, T.; Fedosseev, V.N.; Forster, L.; Marsh, B.A.; Rossel, R.E.; Rothe, S.; Veinhard, M.

    2016-01-01

    The resonance ionization laser ion source (RILIS) is the principal ion source of the ISOLDE radioactive beam facility based at CERN. Using the method of in-source laser resonance ionization spectroscopy, a transition to a new autoionizing state of tellurium was discovered and applied as part of a three-step, three-resonance, photo-ionization scheme. In a second study, a three-step, two-resonance, photo-ionization scheme for germanium was developed and the ionization efficiency was measured at ISOLDE. This work increases the range of ISOLDE RILIS ionized beams to 31 elements. Details of the spectroscopy studies are described and the new ionization schemes are summarized.

  18. Laser resonance ionization scheme development for tellurium and germanium at the dual Ti:Sa-Dye ISOLDE RILIS

    Science.gov (United States)

    Day Goodacre, T.; Fedorov, D.; Fedosseev, V. N.; Forster, L.; Marsh, B. A.; Rossel, R. E.; Rothe, S.; Veinhard, M.

    2016-09-01

    The resonance ionization laser ion source (RILIS) is the principal ion source of the ISOLDE radioactive beam facility based at CERN. Using the method of in-source laser resonance ionization spectroscopy, a transition to a new autoionizing state of tellurium was discovered and applied as part of a three-step, three-resonance, photo-ionization scheme. In a second study, a three-step, two-resonance, photo-ionization scheme for germanium was developed and the ionization efficiency was measured at ISOLDE. This work increases the range of ISOLDE RILIS ionized beams to 31 elements. Details of the spectroscopy studies are described and the new ionization schemes are summarized.

  19. Investigation of stingray spines by Fourier transform infrared spectroscopy analysis to recognize functional groups

    Institute of Scientific and Technical Information of China (English)

    Muthuramalingam Uthaya Siva; Mohideen Abdul Badhul Haq; Deivasigamani Selvam; Ganesan Dinesh Babu; Rathinam Bakyaraj

    2013-01-01

    Objective: To investigate functional groups of toxic spines in stingray by Fourier transform infrared spectroscopic analysis.Methods:sephen were centrifuged at 6000 r/min for 10 min. The supernatant was collected and preserved separately in methanol, ethanol, chloroform, acetone (1:2) and then soaked in the mentioned solvents for 48 h. Then extracts were filtered and used for Fourier transform infrared spectroscopic analysis.Results:The venom extract of Himantura gerrardi, Himantura imbricata and Pastinachus and random coiled secondary structure. The presence of O-H stretch, C=O stretch, C-H stretch, N-H deformation, O-H deformation and C-O stretch in the sample aligned with standard bovine serum albumin. The influence of functional groups within the molecule was because of the impact of preferred spatial orientation, chemical and physical interaction on the molecule. In conclusion, compared to bovine serum albumin, Himantura imbricata consists of two C=O stretch, are involved in the hydrogen bonding that takes place between the different elements of secondary structure.Conclusions:The results identified that the presence of free amino acids and protein having β-sheet medicine not available for treatment against injuries causing stingray. Therefore, it's the baseline study, to motivate further process and produce effective antibiotics. The venom of poisonous animals has been extensively studied, since standard.

  20. Investigation of stingray spines by Fourier transform infrared spectroscopy analysis to recognize functional groups

    Directory of Open Access Journals (Sweden)

    Muthuramalingam Uthaya Siva

    2013-10-01

    Full Text Available Objective: To investigate functional groups of toxic spines in stingray by Fourier transform infrared spectroscopic analysis. Methods: The venom extract of Himantura gerrardi, Himantura imbricata and Pastinachus sephen were centrifuged at 6 000 r/min for 10 min. The supernatant was collected and preserved separately in methanol, ethanol, chloroform, acetone (1:2 and then soaked in the mentioned solvents for 48 h. Then extracts were filtered and used for Fourier transform infrared spectroscopic analysis. Results: The results identified that the presence of free amino acids and protein having β-sheet and random coiled secondary structure. The presence of O-H stretch, C=O stretch, C-H stretch, N-H deformation, O-H deformation and C-O stretch in the sample aligned with standard bovine serum albumin. The influence of functional groups within the molecule was because of the impact of preferred spatial orientation, chemical and physical interaction on the molecule. In conclusion, compared to bovine serum albumin, Himantura imbricata consists of two C=O stretch, are involved in the hydrogen bonding that takes place between the different elements of secondary structure. Conclusions: The venom of poisonous animals has been extensively studied, since standard medicine not available for treatment against injuries causing stingray. Therefore, it's the baseline study, to motivate further process and produce effective antibiotics.