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Sample records for resonance raman investigation

  1. Resonance Raman investigation of the radical cation of 1,3,5-hexatriene

    DEFF Research Database (Denmark)

    Keszhelyi, T.; Wilbrandt, R.; Cave, R.J.

    1994-01-01

    The resonance Raman spectrum of the 1,3,5-hexatriene radical cation generated by gamma-irradiation in a Freon glass is reported. The spectrum is excited at 395 nm in resonance with the second absorption band. Identical spectra are obtained from ionized (E)- and (Z)-1,3,5-hexatriene. The presence...

  2. Resonant Impulsive Stimulated Raman Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Mokhtari, A; Chesnoy, J

    1988-03-15

    Using a femtosecond dye laser, we observe in real-time vibrational oscillations excited by impulsive stimulated Raman scattering (ISRS) close to an electronic resonance. We perform single-beam Raman excitation and probe the driven coherence by a polarization-sensitive detection. We demonstrate for the first time impulsively Raman-induced dichroism, birefringence as well as frequency and time delay shifts. We analyse the characteristics of resonant ISRS on a vibrational mode of a dye molecule (malachite green) in solution.

  3. Resonant Impulsive Stimulated Raman Scattering

    International Nuclear Information System (INIS)

    Mokhtari, A.; Chesnoy, J.

    1988-01-01

    Using a femtosecond dye laser, we observe in real-time vibrational oscillations excited by impulsive stimulated Raman scattering (ISRS) close to an electronic resonance. We perform single-beam Raman excitation and probe the driven coherence by a polarization-sensitive detection. We demonstrate for the first time impulsively Raman-induced dichroism, birefringence as well as frequency and time delay shifts. We analyse the characteristics of resonant ISRS on a vibrational mode of a dye molecule (malachite green) in solution

  4. Investigation of resonant Raman scattering in type II GaAs/AlAs superlattices

    International Nuclear Information System (INIS)

    Choi, H.

    2001-01-01

    As a consequence of the band alignment in GaAs/AIAs superlattices (SLs) and the indirect nature of bulk AIAs, quantum confinement can be used to engineer a Type II system. This produces an electron population in the AIAs longitudinal (X z ) or transverse (X xy ) zone-edge states, which is separated in both direct and reciprocal space from the hole population in the GaAs zone-centre (Γ) states. This thesis is an investigation of the electronic and vibrational structure of Type II GaAs/AIAs SLs using theoretical models and spectroscopic techniques, with special emphasis on Type II resonant Raman (RR) scattering. The majority of this thesis concerns short-period GaAs/AIAs SLs with X z as the lowest conduction band state. A model of the SL electronic band structure is presented, including the effects of interband Γ-X z mixing and the X-point camel's back structure. Interband mixing makes Γ-X z radiative transitions observable in photoluminescence (PL) and RR experiments. Phonon-assisted transitions from the X z state are also observed in PL experiments. Several of the participating phonon modes are unambiguously identified, in good agreement with recent reports. This thesis presents the first detailed experimental and theoretical study of Type II RR scattering from the incoming channel of the X z -related Type II bandgap. The X z - related Type II incoming RR spectra in the GaAs optic phonon region are compared with the Γ-related Type I outgoing RR spectra within several theoretical models. Thereby, the mechanisms of the Type II RR scattering, the origins of the RR lineshape and the polarisation dependence, are fully explained, clarifying the spectral features observed in the GaAs zone-centre optic phonon region. The Type II resonance also allows the observation of zone boundary (X-point) phonons from intervalley (IV) scattering. A model of the IV electron-phonon interaction involving X conduction band electrons and zone boundary phonons in Type II SLs is presented

  5. Triplet State Resonance Raman Spectroscopy

    DEFF Research Database (Denmark)

    Wilbrandt, Robert Walter; Jensen, N. H.; Pagsberg, Palle Bjørn

    1978-01-01

    Makes the first report on the resonance Raman spectrum of a molecule in its triplet state generated by pulse radiolysis. A solution of 0.01 mol dm-3 of p-terphenyl in benzene was studied......Makes the first report on the resonance Raman spectrum of a molecule in its triplet state generated by pulse radiolysis. A solution of 0.01 mol dm-3 of p-terphenyl in benzene was studied...

  6. Characterization of conducting polyaniline blends by Resonance Raman Spectroscopy

    International Nuclear Information System (INIS)

    Silva, Jose E. Pereira da; Temperini, Marcia L.A.; Torresi, Susana I. Cordoba de

    2005-01-01

    Raman and optical microscopy were used to investigate possible interactions between polyaniline (PANI) and different insulating polymers in conducting blends. Resonance Raman and optical micrographs were used to study the physical interaction in materials. Analysis Raman spectra was done investigating the relative intensity of bands at 574 and 607 cm -1 . A relationship between Raman bands and conductivity was also proposed. (author)

  7. Ultraviolet Resonant Raman Enhancements in the Detection of Explosives

    Energy Technology Data Exchange (ETDEWEB)

    Short Jr., Billy Joe [Naval Postgraduate School, Monterey, CA (United States)

    2009-06-01

    Raman-based spectroscopy is potentially militarily useful for standoff detection of high explosives. Normal (non-resonance) and resonance Raman spectroscopies are both light scattering techniques that use a laser to measure the vibrational spectrum of a sample. In resonance Raman, the laser is tuned to match the wavelength of a strong electronic absorbance in the molecule of interest, whereas, in normal Raman the laser is not tuned to any strong electronic absorbance bands. The selection of appropriate excitation wavelengths in resonance Raman can result in a dramatic increase in the Raman scattering efficiency of select band(s) associated with the electronic transition. Other than the excitation wavelength, however, resonance Raman is performed experimentally the same as normal Raman. In these studies, normal and resonance Raman spectral signatures of select solid high explosive (HE) samples and explosive precursors were collected at 785 nm, 244 nm and 229 nm. Solutions of PETN, TNT, and explosive precursors (DNT & PNT) in acetonitrile solvent as an internal Raman standard were quantitatively evaluated using ultraviolet resonance Raman (UVRR) microscopy and normal Raman spectroscopy as a function of power and select excitation wavelengths. Use of an internal standard allowed resonance enhancements to be estimated at 229 nm and 244 nm. Investigations demonstrated that UVRR provided ~2000-fold enhancement at 244 nm and ~800-fold improvement at 229 nm while PETN showed a maximum of ~25-fold at 244 nm and ~190-fold enhancement at 229 nm solely from resonance effects when compared to normal Raman measurements. In addition to the observed resonance enhancements, additional Raman signal enhancements are obtained with ultraviolet excitation (i.e., Raman scattering scales as !4 for measurements based on scattered photons). A model, based partly on the resonance Raman enhancement results for HE solutions, is presented for estimating Raman enhancements for solid HE samples.

  8. Characterization of carotenoids in soil bacteria and investigation of their photodegradation by UVA radiation via resonance Raman spectroscopy.

    Science.gov (United States)

    Kumar B N, Vinay; Kampe, Bernd; Rösch, Petra; Popp, Jürgen

    2015-07-07

    A soil habitat consists of an enormous number of pigmented bacteria with the pigments mainly composed of diverse carotenoids. Most of the pigmented bacteria in the top layer of the soil are photoprotected from exposure to huge amounts of UVA radiation on a daily basis by these carotenoids. The photostability of these carotenoids depends heavily on the presence of specific features like a carbonyl group or an ionone ring system on its overall structure. Resonance Raman spectroscopy is one of the most sensitive and powerful techniques to detect and characterize these carotenoids and also monitor processes associated with them in their native system at a single cell resolution. However, most of the resonance Raman profiles of carotenoids have very minute differences, thereby making it extremely difficult to confirm if these differences are attributed to the presence of different carotenoids or if it is a consequence of their interaction with other cellular components. In this study, we devised a method to overcome this problem by monitoring also the photodegradation of the carotenoids in question by UVA radiation wherein a differential photodegradation response will confirm the presence of different carotenoids irrespective of the proximities in their resonance Raman profiles. Using this method, the detection and characterization of carotenoids in pure cultures of five species of pigmented coccoid soil bacteria is achieved. We also shed light on the influence of the structure of the carotenoid on its photodegradation which can be exploited for use in the characterization of carotenoids via resonance Raman spectroscopy.

  9. Theoretical investigation of the hyper-Raman scattering in hexagonal semiconductors under two-photon excitation near resonance with the An=2 exciton level

    Science.gov (United States)

    Semenova, L. E.

    2018-04-01

    The hyper-Raman scattering of light by LO-phonons under two-photon excitation near resonance with the An=2 exciton level in the wurtzite semiconductors A2B6 was theoretically investigated, taking into account the influence of the complex structure of the top valence band.

  10. Resonance Raman study of benzyl radical

    DEFF Research Database (Denmark)

    Langkilde, F.W.; Bajdor, K.; Wilbrandt, R.

    1992-01-01

    Time-resolved resonance Raman spectra are obtained of benzyl radicals created by laser flash photolysis of benzylchloride and diphenylacetone in solution. The spectra are obtained in resonance with the intense 2 2A2-1 B-2(2) transition of benzyl. The strong Raman bands are assigned to totally...... symmetric a1 modes. The remaining observed bands are tentatively assigned to fundamental modes of b1, a2, and b2 symmetry, and to overtones and combinations. The resonance Raman spectra are found to be quite different from previous fluorescence spectra of benzyl, and the origins of these differences...

  11. Resonance Raman Optical Activity and Surface Enhanced Resonance Raman Optical Activity analysis of Cytochrome C

    DEFF Research Database (Denmark)

    Johannessen, Christian; Abdali, Salim; White, Peter C.

    2007-01-01

    High quality Resonance Raman (RR) and resonance Raman Optical Activity (ROA) spectra of cytochrome c were obtained in order to perform full assignment of spectral features of the resonance ROA spectrum. The resonance ROA spectrum of cytochrome c revealed a distinct spectral signature pattern due...... to resonance enhanced skeletal porphyrin vibrations, more pronounced than any contribution from the protein back-bone. Combining the intrinsic resonance enhancement of cytochrome c with surface plasmon enhancement by colloidal silver particles, the Surface Enhanced Resonance Raman Scattering (SERRS) and Chiral...... Enhanced Raman Spectroscopy (ChERS) spectra of the protein were successfully obtained at very low concentration (as low as 1 µM). The assignment of spectral features was based on the information obtained from the RR and resonance ROA spectra. Excellent agreement between RR and SERRS spectra is reported...

  12. Electronic resonances in broadband stimulated Raman spectroscopy

    Science.gov (United States)

    Batignani, G.; Pontecorvo, E.; Giovannetti, G.; Ferrante, C.; Fumero, G.; Scopigno, T.

    2016-01-01

    Spontaneous Raman spectroscopy is a formidable tool to probe molecular vibrations. Under electronic resonance conditions, the cross section can be selectively enhanced enabling structural sensitivity to specific chromophores and reaction centers. The addition of an ultrashort, broadband femtosecond pulse to the excitation field allows for coherent stimulation of diverse molecular vibrations. Within such a scheme, vibrational spectra are engraved onto a highly directional field, and can be heterodyne detected overwhelming fluorescence and other incoherent signals. At variance with spontaneous resonance Raman, however, interpreting the spectral information is not straightforward, due to the manifold of field interactions concurring to the third order nonlinear response. Taking as an example vibrational spectra of heme proteins excited in the Soret band, we introduce a general approach to extract the stimulated Raman excitation profiles from complex spectral lineshapes. Specifically, by a quantum treatment of the matter through density matrix description of the third order nonlinear polarization, we identify the contributions which generate the Raman bands, by taking into account for the cross section of each process.

  13. Monitoring of blood oxygenation in brain by resonance Raman spectroscopy

    DEFF Research Database (Denmark)

    Brazhe, Nadezda A; Thomsen, Kirsten; Lønstrup, Micael

    2018-01-01

    Blood oxygenation in cerebral vessels is an essential parameter to evaluate brain function and to investigate the coupling between local blood flow and neuronal activity. We apply resonance Raman spectroscopy in vivo to study hemoglobin oxygenation in cortex vessels of anesthetized ventilated mice....... We demonstrate that the pairs of Raman peaks at 1355 and1375 cm-1(symmetric vibrations of pyrrol half-rings in the heme molecule), 1552 and 1585 cm-1and 1602 and 1638 cm-1(vibrations of methine bridges in heme molecule) are reliable markers for quantitative estimation of the relative amount...

  14. Preventing Raman Lasing in High-Q WGM Resonators

    Science.gov (United States)

    Savchenkov, Anatoliy; Matsko, Andrey; Strekalov, Dmitry; Maleki, Lute

    2007-01-01

    A generic design has been conceived to suppress the Raman effect in whispering- gallery-mode (WGM) optical resonators that have high values of the resonance quality factor (Q). Although it is possible to exploit the Raman effect (even striving to maximize the Raman gain to obtain Raman lasing), the present innovation is intended to satisfy a need that arises in applications in which the Raman effect inhibits the realization of the full potential of WGM resonators as frequency-selection components. Heretofore, in such applications, it has been necessary to operate high-Q WGM resonators at unattractively low power levels to prevent Raman lasing. (The Raman-lasing thresholds of WGM optical resonators are very low and are approximately proportional to Q(sup -2)). Heretofore, two ways of preventing Raman lasting at high power levels have been known, but both entail significant disadvantages: A resonator can be designed so that the optical field is spread over a relatively large mode volume to bring the power density below the threshold. For any given combination of Q and power level, there is certain mode volume wherein Raman lasing does not start. Unfortunately, a resonator that has a large mode volume also has a high spectral density, which is undesirable in a typical photonic application. A resonator can be cooled to the temperature of liquid helium, where the Raman spectrum is narrower and, therefore, the Raman gain is lower. However, liquid-helium cooling is inconvenient. The present design overcomes these disadvantages, making it possible to operate a low-spectral-density (even a single-mode) WGM resonator at a relatively high power level at room temperature, without risk of Raman lasing.

  15. Triplet State Resonance Raman Spectrum of all-trans-diphenylbutadiene

    DEFF Research Database (Denmark)

    Wilbrandt, Robert Walter; Grossman, W.E.L.; Killough, P.M

    1984-01-01

    The resonance Raman spectrum of all-trans-diphenylbutadiene (DPB) in its ground state and the resonance Raman spectrum (RRS) of DPB in its short-lived electronically excited triplet state are reported. Transient spectra were obtained by a pump-probe technique using two pulsed lasers...

  16. Fast Resonance Raman Spectroscopy of Short-Lived Radicals

    DEFF Research Database (Denmark)

    Pagsberg, Palle Bjørn; Wilbrandt, Robert Walter; Hansen, Karina Benthin

    1976-01-01

    We report the first application of pulsed resonance Raman spectroscopy to the study of short-lived free radicals produced by pulse radiolysis. A single pulse from a flash-lamp pumped tunable dye laser is used to excite the resonance Raman spectrum of the p-terphenyl anion radical with an initial...

  17. Coherent control through near-resonant Raman transitions

    International Nuclear Information System (INIS)

    Dai Xingcan; Lerch, Eliza-Beth W.; Leone, Stephen R.

    2006-01-01

    The phase of an electronic wave function is shown to play an important role in coherent control experiments. By using a pulse shaping system with a femtosecond laser, we explore the phase relationships among resonant and off-resonant Raman transitions in Li 2 by measuring the phases of the resulting wave packets, or quantum beats. Specific pixels in a liquid-crystal spatial light modulator are used to isolate the resonant and off-resonant portions of the Raman transitions in Li 2 . The off-resonant Raman transitions have an approximately 90 degree sign phase shift with respect to the resonant Raman transition, and there is an approximately 180 degree sign phase shift between the blue-detuned and the red-detuned off-resonant Raman transitions. Calculations using second-order time-dependent perturbation theory for the electronic transitions agree with the experimental results for the laser pulse intensities used here. Interferences between the off-resonant Raman transitions as a function of detuning are used to demonstrate coherent control of the Raman quantum wave packet

  18. UV Resonant Raman Spectrometer with Multi-Line Laser Excitation

    Science.gov (United States)

    Lambert, James L.; Kohel, James M.; Kirby, James P.; Morookian, John Michael; Pelletier, Michael J.

    2013-01-01

    A Raman spectrometer employs two or more UV (ultraviolet) laser wavel engths to generate UV resonant Raman (UVRR) spectra in organic sampl es. Resonant Raman scattering results when the laser excitation is n ear an electronic transition of a molecule, and the enhancement of R aman signals can be several orders of magnitude. In addition, the Ra man cross-section is inversely proportional to the fourth power of t he wavelength, so the UV Raman emission is increased by another fact or of 16, or greater, over visible Raman emissions. The Raman-scatter ed light is collected using a high-resolution broadband spectrograph . Further suppression of the Rayleigh-scattered laser light is provi ded by custom UV notch filters.

  19. Highly sensitive high resolution Raman spectroscopy using resonant ionization methods

    International Nuclear Information System (INIS)

    Owyoung, A.; Esherick, P.

    1984-05-01

    In recent years, the introduction of stimulated Raman methods has offered orders of magnitude improvement in spectral resolving power for gas phase Raman studies. Nevertheless, the inherent weakness of the Raman process suggests the need for significantly more sensitive techniques in Raman spectroscopy. In this we describe a new approach to this problem. Our new technique, which we call ionization-detected stimulated Raman spectroscopy (IDSRS), combines high-resolution SRS with highly-sensitive resonant laser ionization to achieve an increase in sensitivity of over three orders of magnitude. The excitation/detection process involves three sequential steps: (1) population of a vibrationally excited state via stimulated Raman pumping; (2) selective ionization of the vibrationally excited molecule with a tunable uv source; and (3) collection of the ionized species at biased electrodes where they are detected as current in an external circuit

  20. High-resolution inverse Raman and resonant-wave-mixing spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rahn, L.A. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    These research activities consist of high-resolution inverse Raman spectroscopy (IRS) and resonant wave-mixing spectroscopy to support the development of nonlinear-optical techniques for temperature and concentration measurements in combustion research. Objectives of this work include development of spectral models of important molecular species needed to perform coherent anti-Stokes Raman spectroscopy (CARS) measurements and the investigation of new nonlinear-optical processes as potential diagnostic techniques. Some of the techniques being investigated include frequency-degenerate and nearly frequency-degenerate resonant four-wave-mixing (DFWM and NDFWM), and resonant multi-wave mixing (RMWM).

  1. Characterization of excited electronic states of naphthalene by resonance Raman and hyper-Raman scattering

    International Nuclear Information System (INIS)

    Bonang, C.C.; Cameron, S.M.

    1992-01-01

    The first resonance Raman and hyper-Raman scattering from naphthalene are reported. Fourth harmonic of a mode-locked Nd:YAG laser is used to resonantly excite the 1 B 1u + transition, producing Raman spectra that confirm the dominance of the vibronically active ν 28 (b 3g ) mode and the Franck--Condon active a g modes, ν 5 and ν 3 . A synchronously pumped stilbene dye laser and its second harmonic are employed as the excitation sources for hyper-Raman and Raman scattering from the overlapping 1 B 2 u + and 1 A g - states. The Raman spectra indicate that the equilibrium geometry of naphthalene is distorted primarily along ν 5 , ν 8 , and ν 7 normal coordinates upon excitation to 1 B 2 u + . The hyper-Raman spectrum shows that ν 25 (b 2u ) is the mode principally responsible for vibronic coupling between the 1 A g - and 1 B 2u + states. The results demonstrate the advantageous features of resonance hyper-Raman scattering for the case of overlapping one- and two-photon allowed transitions. Calculations based on simple molecular orbital configurations are shown to qualitatively agree with the experimental results

  2. Synchrotron radiation resonance Raman spectroscopy (SR3S)

    International Nuclear Information System (INIS)

    Hester, R.E.

    1979-01-01

    The use of normal Raman spectroscopy and resonance Raman spectroscopy to study the structure of molecular species and the nature of their chemical bonds is discussed. The availability of a fully tunable radiation source (the Synchrotron Radiation Source) extending into the ultraviolet raises the possibility of using synchrotron radiation resonance Raman spectroscopy as a sensitive and specific analytical probe. The pulsed nature of the SRS beam may be exploited for time-resolved resonance Raman spectroscopy and its high degree of polarization could be very helpful in the interpretation of spectra. The possibilities are considered under the headings: intensity requirements and comparison with other sources; some applications (e.g. structure of proteins; study of iron-porphyrin unit; study of chlorophylls). (U.K.)

  3. Membrane Disruption Mechanism of a Prion Peptide (106-126) Investigated by Atomic Force Microscopy, Raman and Electron Paramagnetic Resonance Spectroscopy.

    Science.gov (United States)

    Pan, Jianjun; Sahoo, Prasana K; Dalzini, Annalisa; Hayati, Zahra; Aryal, Chinta M; Teng, Peng; Cai, Jianfeng; Rodriguez Gutierrez, Humberto; Song, Likai

    2017-05-18

    A fragment of the human prion protein spanning residues 106-126 (PrP106-126) recapitulates many essential properties of the disease-causing protein such as amyloidogenicity and cytotoxicity. PrP106-126 has an amphipathic characteristic that resembles many antimicrobial peptides (AMPs). Therefore, the toxic effect of PrP106-126 could arise from a direct association of monomeric peptides with the membrane matrix. Several experimental approaches are employed to scrutinize the impacts of monomeric PrP106-126 on model lipid membranes. Porous defects in planar bilayers are observed by using solution atomic force microscopy. Adding cholesterol does not impede defect formation. A force spectroscopy experiment shows that PrP106-126 reduces Young's modulus of planar lipid bilayers. We use Raman microspectroscopy to study the effect of PrP106-126 on lipid atomic vibrational dynamics. For phosphatidylcholine lipids, PrP106-126 disorders the intrachain conformation, while the interchain interaction is not altered; for phosphatidylethanolamine lipids, PrP106-126 increases the interchain interaction, while the intrachain conformational order remains similar. We explain the observed differences by considering different modes of peptide insertion. Finally, electron paramagnetic resonance spectroscopy shows that PrP106-126 progressively decreases the orientational order of lipid acyl chains in magnetically aligned bicelles. Together, our experimental data support the proposition that monomeric PrP106-126 can disrupt lipid membranes by using similar mechanisms found in AMPs.

  4. Using a Spectrofluorometer for Resonance Raman Spectra of Organic Molecules

    Directory of Open Access Journals (Sweden)

    Vadivel Masilamani

    2017-01-01

    Full Text Available Scattering (Rayleigh and Raman and fluorescence are two common light signals that frequently occur together, confusing the researchers and graduate students experimenting in molecular spectroscopy laboratories. This report is a brief study presenting a clear discrimination between the two signals mentioned, employing a common spectrofluorometer such as the PerkinElmer LS 55. Even better, the resonance Raman signal of a molecule (e.g., acetone can be obtained elegantly using the same instrument.

  5. Dynamic optical bistability in resonantly enhanced Raman generation

    International Nuclear Information System (INIS)

    Novikova, I.; Phillips, D.F.; Zibrov, A.S.; Andre, A.; Walsworth, R.L.

    2004-01-01

    We report observations of novel dynamic behavior in resonantly enhanced stimulated Raman scattering in Rb vapor. In particular, we demonstrate a dynamic hysteresis of the Raman scattered optical field in response to changes of the drive laser field intensity and/or frequency. This effect may be described as a dynamic form of optical bistability resulting from the formation and decay of atomic coherence. We have applied this phenomenon to the realization of an all-optical switch

  6. Resonance electronic Raman scattering in rare earth crystals

    International Nuclear Information System (INIS)

    Williams, G.M.

    1988-01-01

    The intensities of Raman scattering transitions between electronic energy levels of trivalent rare earth ions doped into transparent crystals were measured and compared to theory. A particle emphasis was placed on the examination of the effect of intermediate state resonances on the Raman scattering intensities. Two specific systems were studied: Ce 3+ (4f 1 ) in single crystals of LuPO 4 and Er 3+ (4f 11 ) in single crystals of ErPO 4 . 134 refs., 92 figs., 33 tabs

  7. Periodontitis diagnostics using resonance Raman spectroscopy on saliva

    Science.gov (United States)

    Gonchukov, S.; Sukhinina, A.; Bakhmutov, D.; Biryukova, T.; Tsvetkov, M.; Bagratashvily, V.

    2013-07-01

    In view of its wealth of molecular information, Raman spectroscopy has been the subject of active biomedical research. The aim of this work is Raman spectroscopy (RS) application for the determination of molecular biomarkers in saliva with the objective of early periodontitis detection. As was shown in our previous study, carotenoids contained in saliva can be molecular fingerprint information for the periodontitis level. It is shown here that the carotenoid RS lines at wavenumbers of 1156 and 1524 cm-1 can be easily detected and serve as reliable biomarkers of periodontitis using resonance Raman spectroscopy of dry saliva.

  8. Periodontitis diagnostics using resonance Raman spectroscopy on saliva

    International Nuclear Information System (INIS)

    Gonchukov, S; Sukhinina, A; Bakhmutov, D; Biryukova, T; Tsvetkov, M; Bagratashvily, V

    2013-01-01

    In view of its wealth of molecular information, Raman spectroscopy has been the subject of active biomedical research. The aim of this work is Raman spectroscopy (RS) application for the determination of molecular biomarkers in saliva with the objective of early periodontitis detection. As was shown in our previous study, carotenoids contained in saliva can be molecular fingerprint information for the periodontitis level. It is shown here that the carotenoid RS lines at wavenumbers of 1156 and 1524 cm −1 can be easily detected and serve as reliable biomarkers of periodontitis using resonance Raman spectroscopy of dry saliva. (letter)

  9. 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....

  10. Resonance Raman and quantum chemical studies of short polyene radical cations

    DEFF Research Database (Denmark)

    Keszthelyi, T.; Wilbrandt, R.; Bally, T.

    1997-01-01

    ,3,5-hexatriene have been studied. The radical cations were generated radiolytically in a glassy Freon matrix and investigated by optical absorption and resonance Raman spectroscopy. Ab initio and density functional molecular-orbital calculations have been carried out to predict equilibrium structures...... and to assist assignment of the resonance Raman spectra. A new and improved scaled quantum mechanical force field for the butadiene radical cation was also determined. The presence of more than one rotamer was observed in all the polyene radical cations we investigated. (C) 1997 Elsevier Science B.V....

  11. Resonance Raman spectroscopy in one-dimensional carbon materials

    Directory of Open Access Journals (Sweden)

    Dresselhaus Mildred S.

    2006-01-01

    Full Text Available Brazil has played an important role in the development and use of resonance Raman spectroscopy as a powerful characterization tool for materials science. Here we present a short history of Raman scattering research in Brazil, highlighting the important contributions to the field coming from Brazilian researchers in the past. Next we discuss recent and important contributions where Brazil has become a worldwide leader, that is on the physics of quasi-one dimensional carbon nanotubes. We conclude this article by presenting results from a very recent resonance Raman study of exciting new materials, that are strictly one-dimensional carbon chains formed by the heat treatment of very pure double-wall carbon nanotube samples.

  12. Intricate Resonant Raman Response in Anisotropic ReS2.

    Science.gov (United States)

    McCreary, Amber; Simpson, Jeffrey R; Wang, Yuanxi; Rhodes, Daniel; Fujisawa, Kazunori; Balicas, Luis; Dubey, Madan; Crespi, Vincent H; Terrones, Mauricio; Hight Walker, Angela R

    2017-10-11

    The strong in-plane anisotropy of rhenium disulfide (ReS 2 ) offers an additional physical parameter that can be tuned for advanced applications such as logic circuits, thin-film polarizers, and polarization-sensitive photodetectors. ReS 2 also presents advantages for optoelectronics, as it is both a direct-gap semiconductor for few-layer thicknesses (unlike MoS 2 or WS 2 ) and stable in air (unlike black phosphorus). Raman spectroscopy is one of the most powerful characterization techniques to nondestructively and sensitively probe the fundamental photophysics of a 2D material. Here, we perform a thorough study of the resonant Raman response of the 18 first-order phonons in ReS 2 at various layer thicknesses and crystal orientations. Remarkably, we discover that, as opposed to a general increase in intensity of all of the Raman modes at excitonic transitions, each of the 18 modes behave differently relative to each other as a function of laser excitation, layer thickness, and orientation in a manner that highlights the importance of electron-phonon coupling in ReS 2 . In addition, we correct an unrecognized error in the calculation of the optical interference enhancement of the Raman signal of transition metal dichalcogenides on SiO 2 /Si substrates that has propagated through various reports. For ReS 2 , this correction is critical to properly assessing the resonant Raman behavior. We also implemented a perturbation approach to calculate frequency-dependent Raman intensities based on first-principles and demonstrate that, despite the neglect of excitonic effects, useful trends in the Raman intensities of monolayer and bulk ReS 2 at different laser energies can be accurately captured. Finally, the phonon dispersion calculated from first-principles is used to address the possible origins of unexplained peaks observed in the Raman spectra, such as infrared-active modes, defects, and second-order processes.

  13. Fast Resonance Raman Spectroscopy of a Free Radical

    DEFF Research Database (Denmark)

    Wilbrandt, Robert Walter; Pagsberg, Palle Bjørn; Hansen, K. B.

    1975-01-01

    The resonance Raman spectrum of a 10−3 molar solution of the stable diphenyl-pikryl-hydrazyl radical in benzene was obtained using a single laser pulse of 10 mJ energy and 600 ns duration from a flashlamp pumped tunable dye laser. Spectra were recorded using an image intensifier coupled to a TV...

  14. Resonance Raman and optical dephasing study of tricarbocyanine dyes

    NARCIS (Netherlands)

    Ashworth, SH; Kummrow, A; Lenz, K

    Fluorescence lineshape analysis based on resonance Raman spectra of the dye HITCI was used to determine the details and magnitude of the vibrational part of the line broadening function, Forced light scattering (FLS) was applied to measure optical dephasing of HITCI in ethylene glycol, pumping at

  15. Resonance Raman study on distorted symmetry of porphyrin in ...

    Indian Academy of Sciences (India)

    The resonance Raman (RR) spectra of nickel octaethyl porphyrin, Ni(OEP), ... Nickel ocatethyl porphyrin, Ni(OEP), plays a central role in studies of the molec- ..... [8] T Kitagawa and Y Ozaki, Structure and bonding (Springer-Verlag, Berlin, ... [10] R S Czernuszewicz, K A Macar, Li Xiao-Yuan, J R Kincaid and T G Spiro, J. Am.

  16. Strong overtones and combination bands in ultraviolet resonance Raman spectroscopy

    NARCIS (Netherlands)

    Efremov, E.V.; Ariese, F.; Mank, A.J.G.; Gooijer, C.

    2006-01-01

    Ultraviolet resonance Raman spectroscopy is carried out using a continuous wave frequency-doubled argon ion laser operated at 229, 244, and 257 nm in order to characterize the overtones and combination bands for several classes of organic compounds in liquid solutions. Contrary to what is generally

  17. Novel Chiroptical Analysis of Hemoglobin by Surface Enhanced Resonance Raman Optical Activity Spectroscopy

    DEFF Research Database (Denmark)

    Brazhe, Nadezda; Brazhe, Alexey; Sosnovtseva, Olga

    2010-01-01

    The metalloprotein hemoglobin (Hb) was studied using surface enhanced resonance Raman spectroscopy (SERRS) and surface enhanced resonance Raman optical activity (SERROA). The SERROA results are analyzed and compared with the SERRS, and the later to the resonance Raman (RRS) performed on Hb...

  18. Photon induced resonant Raman scattering in CdS

    International Nuclear Information System (INIS)

    Muzart, J.; Lluesma, E.G.; Arguello, C.A.; Leite, R.C.C.

    1975-01-01

    A novel aspect of resonant Raman scattering is observed in CdS by means of the ratio of Stokes to anti-Stokes intensities. With increasing temperature, as the forbidden band energy approaches a value that is twice the incident photon energy, (from a Nd-Yag-laser) a large enhancement of the above ratio is observed for both the LO and the 2LO phonon Raman intensities. The results indicate a resonance with the scattered photon. Resonance is only observed for high incident photon intensities. A possible explanation for the above observations is that flooding of the crystal with photons of energy hν induces states of energy hν displaced from the electronic bands by mixing of electronic and photon states

  19. Resonant x-ray Raman scattering from atoms and molecules

    International Nuclear Information System (INIS)

    Cowan, P.L.

    1992-01-01

    Inelastic x-ray scattering and elastic x-ray scattering are fundamentally related processes. When the x-ray photon energy is near the ionization threshold for an inner shell, the inelastic channel is dominated by resonant x-ray Raman scattering. Studies of this emission not only illuminate the resonant scattering process in general, they also point to new opportunities for spectral studies of electronic structure using x-rays. Atoms in the form of a free gas provide an ideal target for testing the current theoretical understanding of resonant x-ray Raman scattering. In addition, x-ray scattering from molecular gases demonstrates the effect of bonding symmetry on the polarization and angular distribution of the scattered x-rays. Comparisons of experimental data with theory demonstrate both the successes and limitations of simple, single-electron interpretations of the scattering process

  20. On the Increasing Fragility of Human Teeth with Age: ADeep-Ultraviolet Resonance Raman Study

    Energy Technology Data Exchange (ETDEWEB)

    Ager III, J.W.; Nalla, R.K.; Balooch, G.; Kim, G.; Pugach, M.; Habelitz, S.; Marshall, G.W.; Kinney, J.H.; Ritchie, R.O.

    2006-07-14

    Ultraviolet resonance Raman spectroscopy (UVRRS) using 244nm excitation was used to investigate the impact of aging on humandentin. The intensity of a spectroscopic feature from the peptide bondsin the collagen increases with tissue age, similar to a finding reportedpreviously for human cortical bone.

  1. Fourier Transform Infrared and Resonance Raman Spectroscopic Studies of Bacteriorhodopsin.

    Science.gov (United States)

    Earnest, Thomas Nixon

    Fourier transform infrared and resonance Raman spectroscopy were used to investigate the structure and function of the light-activated, transmembrane proton pump, bacteriorhodopsin, from the purple membrane of Halobacterium halobium. Bacteriorhodopsin (bR) is a 27,000 dalton integral membrane protein consisting of 248 amino acids with a retinylidene chromophore. Absorption of a photon leads to the translocation of one or two protons from the inside of the cell to the outside. Resonance Raman spectroscopy allows for the study of the configuration of retinal in bR and its photointermediates by the selective enhancement of vibrational modes of the chromophore. This technique was used to determine that the chromophore is attached to lysine-216 in both the bR _{570} and the M _{412} intermediates. In bR with tyrosine-64 selectively nitrated or aminated, the chromophore appears to have the same configuration in that bR _{570} (all- trans) and M _{412} (13- cis) states as it does in unmodified bR. Polarized Fourier transform infrared spectroscopy (FTIR) permits the study of the direction of transition dipole moments arising from molecular vibrations of the protein and the retinal chromophore. The orientation of alpha helical and beta sheet components was determined for bR with the average helical tilt found to lie mostly parallel to the membrane normal. The beta sheet structures also exhibit an IR linear dichroism for the amide I and amide II bands which suggest that the peptide backbone is mostly perpendicular to the membrane plane although it is difficult to determine whether the bands originate from sheet or turn components. The orientation of secondary structure components of the C-1 (residues 72-248) and C-2 (residues 1-71) fragments were also investigated to determine the structure of these putative membrane protein folding intermediates. Polarized, low temperature FTIR -difference spectroscopy was then used to investigate the structure of bR as it undergoes

  2. Utilizing Raman Spectroscopy and Surface-Enhanced Raman Spectroscopy to investigate healthy and cancerous colon samples

    International Nuclear Information System (INIS)

    Barzegar, A.; Rezaei, H.; Malekfar, R.

    2012-01-01

    In this study, spontaneous Raman scattering and surface-enhanced Raman scattering, Surface-Enhanced Raman Spectroscopy spectra have been investigated. The samples which were kept in the formalin solution selected from the human's healthy and cancerous colon tissues. The Surface-Enhanced Raman Spectroscopy spectra were collected by adding colloidal solution contained silver nanoparticles to the top of the samples. The recorded spectra were compared for the spontaneous Raman spectra of healthy and cancerous colon samples. The spontaneous and surface enhanced Raman scattering data were also collected and compared for both healthy and damaged samples.

  3. The use of lasers as sources for Raman spectrometry, resonance Raman spectrometry, and light scattering

    International Nuclear Information System (INIS)

    Capitini, R.; Ceccaldi, M.; Leicknam, J.P.; Plus, R.

    1975-01-01

    The activity of the laboratory is principally centred on the determination of molecular structures and the study of molecular interactions in solution by infrared and Raman spectrometry. With the development of work on relatively large molecules, particularly biological molecules, it became necessary to complete information on the molecular weight and on the intra and intermolecular geometry and interactions of these bodies. In order to obtain these informations Rayleigh scattering and resonance Raman spectrometry were used. The advantages of using vibrational spectrometry, particularly Raman, in conjunction with the diffusion of light for these structural and molecular interaction studies is emphasized. It is shown that these two techniques could not have developed as they have done in the last few years without the use of lasers as light source [fr

  4. High resolution resonant Raman scattering in InP and GaAs

    International Nuclear Information System (INIS)

    Kernohan, E.T.M.

    1996-04-01

    Previous studies of III-V semiconductors using resonant Raman scattering have concentrated on measuring the variations in scattering intensity under different excitation conditions. The shape of the Raman line also contains important information, but this has usually been lost because the low signal strengths mean that resolution has been sacrificed for sensitivity. It might therefore be expected that further insights into the processes involved in Raman scattering could be obtained by using high resolution methods. In this thesis I have measured single- and multiple- phonon scattering from bulk GaAs and InP with a spectral resolution better than the intrinsic widths of the Raman lines. For scattering in the region of one longitudinal optic (LO) phonon energy, it is found that in InP the scattering in the allowed and forbidden configurations occur at different Raman shifts, above and below the zone-centre phonon energy respectively. These shifts are used to determine the scattering processes involved, and how they differ between InP and GaAs. The lineshapes obtained in multiple-phonon scattering are found to depend strongly on the excitation energy used, providing evidence for the presence of intermediate resonances. The measured spectra are used to provide information about the phonon dispersion of InP, whose dispersion it is difficult to measure in any other way, and the first evidence is found for an upward dispersion of the LO mode. Raman lineshapes are measured for InP in a magnetic field. The field alters the electronic bandstructure, leading to a series of strong resonances in the Raman efficiency due to interband magneto-optical transitions between Landau levels. This allows multiphonon processes up to sixth-order to be investigated. (author)

  5. Resonance Raman spectroscopy of volatile organics -- Carbon tetrachloride

    International Nuclear Information System (INIS)

    Barletta, R.E.; Veligdan, J.T.

    1994-09-01

    Volatile organic chemicals are a class of pollutants which are regulated at very low levels by the EPA. Consequently a need exists as a part of site remediation efforts within DOE to develop technologies which will allow for the in situ monitoring of these chemicals. Resonance Raman spectroscopy is a potential technique to accomplish this if the resonance enhancement is sufficiently high. Carbon tetrachloride was selected as a test case. Measurements under resonance conditions at 248 nm showed an enhancement factor of 2 x 10 4 . Using this value an estimate of the sensitivity for both in situ and remote monitoring of CCl 4 was made. It was concluded that resonance Raman could be used to detect these chemicals at levels of regulatory interest. Future effort directed towards the development of a suitable probe as well as a field-portable system would be desirable. Such effort could be directed towards the solution of a particular monitoring problem within a DOE waste remediation project. Once developed, however, it should be easily generalized to the analysis of other VOC's in other environments

  6. Resonance Raman scattering of β-carotene solution excited by visible laser beams into second singlet state.

    Science.gov (United States)

    Lu, Luyao; Shi, Lingyan; Secor, Jeff; Alfano, Robert

    2018-02-01

    This study aimed to use self-absorption correction to determine the Raman enhancement of β-carotene. The Raman spectra of β-carotene solutions were measured using 488nm, 514nm, 532nm and 633nm laser beams, which exhibited significant resonance Raman (RR) enhancement when the laser energy approaches the electronic transition energy from S 0 to S 2 state. The Raman intensity and the actual resonance Raman gain without self-absorption from S 2 state by β-carotene were also obtained to evaluate the effect of self-absorption on RR scattering. Moreover, we observed the Raman intensity strength followed the absorption spectra. Our study found that, although 488nm and 514nm pumps seemed better for stronger RR enhancement, 532nm would be the optimum Raman pump laser with moderate RR enhancement due to reduced fluorescence and self-absorption. The 532nm excitation will be helpful for applying resonance Raman spectroscopy to investigate biological molecules in tissues. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Red-excitation resonance Raman analysis of the nu(Fe=O) mode of ferryl-oxo hemoproteins.

    Science.gov (United States)

    Ikemura, Kenichiro; Mukai, Masahiro; Shimada, Hideo; Tsukihara, Tomitake; Yamaguchi, Satoru; Shinzawa-Itoh, Kyoko; Yoshikawa, Shinya; Ogura, Takashi

    2008-11-05

    The Raman excitation profile of the nuFe O mode of horseradish peroxidase compound II exhibits a maximum at 580 nm. This maximum is located within an absorption band with a shoulder assignable to an oxygen-to-iron charge transfer band on the longer wavelength side of the alpha-band. Resonance Raman bands of the nuFe O mode of various ferryl-oxo type hemoproteins measured at 590 nm excitation indicate that many hemoproteins in the ferryl-oxo state have an oxygen-to-iron charge transfer band in the visible region. Since this red-excited resonance Raman technique causes much less photochemical damage in the proteins relative to blue-excited resonance Raman spectroscopy, it produces a higher signal-to-noise ratio and thus represents a powerful tool for investigations of ferryl-oxo intermediates of hemoproteins.

  8. Double resonance Raman effects in InN nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Domenech-Amador, N.; Cusco, R.; Artus, L. [Institut Jaume Almera, Consell Superior d' Investigacions Cientifiques (CSIC), Lluis Sole i Sabaris s.n., Barcelona, Catalonia (Spain); Calarco, R. [Institute of Bio- and Nanosystems, Research Center Juelich GmbH, Juelich (Germany); Paul-Drude-Institut fuer Festkoerperelektronik, Berlin (Germany); Yamaguchi, T.; Nanishi, Y. [Faculty of Science and Engineering, Ritsumeikan University, Noji-Higashi, Kusatsu, Shiga 525-8577 (Japan)

    2012-04-15

    We study the excitation wavelength dependence of the Raman spectra of InN nanowires. The E{sub 1}(LO) phonon mode, which is detected in backscattering configuration because of light entering through lateral faces, exhibits an upward frequency shift that can be explained by Martin's double resonance. The E{sub 1} (LO)/E{sub 2}{sup h} intensity ratio increases with the excitation wavelength more rapidly than the A{sub 1}(LO)/E{sub 2}{sup h} ratio measured in InN thin films. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Transition polarizability model of induced resonance Raman optical activity

    Czech Academy of Sciences Publication Activity Database

    Yamamoto, S.; Bouř, Petr

    2013-01-01

    Roč. 34, č. 25 (2013), s. 2152-2158 ISSN 0192-8651 R&D Projects: GA ČR GAP208/11/0105; GA ČR GA13-03978S; GA MŠk(CZ) LH11033 Grant - others:AV ČR(CZ) M200551205 Institutional support: RVO:61388963 Keywords : induced resonance Raman optical activity * europium complexes * density functional computations * light scattering Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.601, year: 2013

  10. Stimulated resonance Raman spectroscopy: An alternative to laser-rf double resonance for ion spectroscopy

    International Nuclear Information System (INIS)

    Young, L.; Dinneen, T.; Mansour, N.B.

    1988-01-01

    Stimulated resonance Raman spectroscopy is presented as an alternative to laser-rf double resonance for obtaining high-precision measurements in ion beams. By use of a single-phase modulated laser beam to derive the two required fields, the laser--ion-beam alignment is significantly simplified. In addition, this method is especially useful in the low-frequency regime where the laser-rf double-resonance method encounters difficulties due to modifications of the ion-beam velocity distribution. These modifications, which result from interaction with the traveling rf wave used to induce magnetic dipole transitions, are observed and quantitatively modeled

  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. Laser Raman and resonance Raman spectroscopies of natural semiconductor mineral cinnabar, α-HgS, from various mines

    International Nuclear Information System (INIS)

    Gotoshia, Sergo V; Gotoshia, Lamara V

    2008-01-01

    Natural minerals α-HgS from various mines have been studied by laser Raman spectroscopy and resonance Raman spectroscopy. The crystals differ from each other in the content of selenium impurity, included in samples from some mines. Based on the Raman spectra and the factor-group analysis the classification of the first order phonons and then the comparison of the results with the results from other works were carried out. The Raman spectra analysis of minerals from various mines show the selenium impurity gap vibration at 203 cm -1 and 226 cm -1 frequencies, respectively. On the basis of statistical measurements of the Raman spectra one can conclude that impurity frequencies of α-HgS may be generally used for the identification of the mine. Resonance Raman scattering for pure minerals has been studied by a dye laser. Phonon resonance in the indirect semiconductor α-HgS is found to be far more intense than the indirect resonance detected until now in various semiconductors in the proximity of the first indirect band E g , for instance, in GaP. In our opinion, this may be conditioned by cinnabar band structure peculiarities. Low resonance has also been fixed in 'dirty' minerals at the spectral band frequency of 203 cm -1 characterizing gap vibration of isomorphic impurity Se in cinnabar

  13. Resonant Raman scattering in ion-beam-synthesized Mg2Si in a silicon matrix

    International Nuclear Information System (INIS)

    Baleva, M.; Zlateva, G.; Atanassov, A.; Abrashev, M.; Goranova, E.

    2005-01-01

    Resonant Raman scattering by ion beam synthesized in silicon matrix Mg 2 Si phase is studied. The samples are prepared with the implantation of 24 Mg + ions with dose 4x10 17 cm -2 and with two different energies 40 and 60 keV into (100)Si substrates. The far infrared spectra are used as criteria for the formation of the Mg 2 Si phase. The Raman spectra are excited with different lines of Ar + laser, with energies of the lines lying in the interval from 2.40 to 2.75 eV. The resonant scattering can be investigated using these laser lines, as far as according to the Mg 2 Si band structure, there are direct gaps with energies in the same region. The energy dependences of the scattered intensities in the case of the scattering by the allowed F 2g and the forbidden LO-type modes are experimentally obtained and theoretically interpreted. On the base of the investigation energies of the interband transitions in the Mg 2 Si are determined. It is found also that the resonant Raman scattering appears to be a powerful tool for characterization of a material with inclusions in it. In the particular case it is concluded that the Mg 2 Si phase is present in the form of a surface layer in the sample, prepared with implantation energy 40 keV and as low-dimensional precipitates, embedded in the silicon matrix, in the sample, prepared with the higher implantation energy

  14. Investigations of a Dual Seeded 1178 nm Raman Laser System

    Science.gov (United States)

    2016-01-14

    was obtained by Raman amplification of a distributed feedback diode laser in a variably strained polarization- maintaining fiber with a record-high...Calia, D.B., “50W CW visible laser source at 589 nm obtained via frequency doubling of three coherently combined narrow-band Raman fiber amplifiers...AFRL-RD-PS- TP-2016-0009 AFRL-RD-PS- TP-2016-0009 INVESTIGATIONS OF A DUAL SEEDED 1178 NM RAMAN LASER SYSTEM Leanne Henry, et al. 14 January

  15. Double-wall carbon nanotubes doped with different Br2 doping levels: a resonance Raman study.

    Science.gov (United States)

    do Nascimento, Gustavo M; Hou, Taige; Kim, Yoong Ahm; Muramatsu, Hiroyuki; Hayashi, Takuya; Endo, Morinobu; Akuzawa, Noboru; Dresselhaus, Mildred S

    2008-12-01

    This report focuses on the effects of different Br2 doping levels on the radial breathing modes of "double-wall carbon nanotube (DWNT) buckypaper". The resonance Raman profile of the Br2 bands are shown for different DWNT configurations with different Br2 doping levels. Near the maximum intensity of the resonance Raman profile, mainly the Br2 molecules adsorbed on the DWNT surface contribute strongly to the observed omega(Br-Br) Raman signal.

  16. Ultraviolet resonance Raman studies of N-methylacetamide

    International Nuclear Information System (INIS)

    Mayne, L.C.; Ziegler, L.D.; Hudson, B.

    1985-01-01

    Resonance Raman spectra of the simple peptide model compound N-methylacetamide have been obtained with 218- and 200-nm laser radiation. A large enhancement of the amide II vibration is observed relative to that of Raman spectra obtained with visible radiation. Replacement of the amide hydrogen by deuterium results in a spectrum with most of its intensity in the amide II' mode. Excitation of this deuterated species with 200-nm radiation results in intensity in the overtones of this modes, a feature characteristic of resonance enhanced spectra. Isotopic substitution of the amide carbon and nitrogen by 13 C and 15 N results in a spectral shift to lower frequency by nearly the amount expected for a normal mode consisting primarily of the motion of the amide C and N atoms. These results, taken together, demonstrate that the geometry change of N-methylacetamide upon electronic excitation to the π-π/sup */ state is dominated by a change in the C-N bond length. Studies of mixtures of the deuterio and protio forms show that a significant normal mode rotation occurs on isotopic substitution such that the amide II' of the deuterio form becomes approximately equally distributed between the amide II and III vibrations of the protio form. The amide I and I' vibrations are very diffuse in aqueous solutions at the dilutions used. These bands become sharp in acetonitrile. This behavior is interpreted in terms of a range of frequencies for this vibration due to a distribution of hydrogen-bonded species. 23 references, 5 figures

  17. Resonant A1 phonon and four-magnon Raman scattering in hexagonal HoMnO3 thin film

    International Nuclear Information System (INIS)

    Chen Xiangbai; Thi Minh Hien, Nguyen; Yang, In-Sang; Lee, D; Jang, S-Y; Noh, T W

    2010-01-01

    We present the results of resonant Raman scattering of the A 1 phonon at 680 cm -1 and of the four-magnon at 760 cm -1 in hexagonal HoMnO 3 thin film. We find that the A 1 phonon at 680 cm -1 shows a strong resonance effect near the on-site Mn d-d transition at ∼1.7 eV. Our Raman results show that the four-magnon scattering can be selectively excited with red lasers of 647 nm (1.92 eV) and 671 nm (1.85 eV), but are not detectable with green lasers of 532 nm (2.33 eV), indicating that the four-magnon scattering in hexagonal HoMnO 3 has an extremely strong resonance effect also near the on-site Mn d-d transition at ∼1.7 eV. Furthermore, through the analyses of our study of the resonant four-magnon Raman scattering and earlier studies of the resonant two-magnon Raman scattering, we propose a simple general model for all resonant magnon scattering. Our simple general model predicts a simple method for the investigation of the spin-flipping/spin-wave in magnetic materials, which would have significant impacts on the applications of spintronic devices.

  18. Resonant Raman scattering of ZnS, ZnO, and ZnS/ZnO core/shell quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Milekhin, A.G. [Institute of Semiconductor Physics, Novosibirsk (Russian Federation); Novosibirsk State University, Novosibirsk (Russian Federation); Yeryukov, N.A.; Sveshnikova, L.L.; Duda, T.A. [Institute of Semiconductor Physics, Novosibirsk (Russian Federation); Himcinschi, C. [TU Bergakademie Freiberg, Institut fuer Theoretische Physik, Freiberg (Germany); Zenkevich, E.I. [Belarussian National Technical University, Minsk (Belarus); Zahn, D.R.T. [Chemnitz University of Technology, Semiconductor Physics, Chemnitz (Germany)

    2012-05-15

    Resonant Raman scattering by optical phonon modes as well as their overtones was investigated in ZnS and ZnO quantum dots grown by the Langmuir-Blodgett technique. The in situ formation of ZnS/ZnO core/shell quantum dots was monitored by Raman spectroscopy during laser illumination. (orig.)

  19. Raman Spectroelectrochemical Investigations of Immobilized Redox Proteins

    OpenAIRE

    Grochol, Jana

    2007-01-01

    Das Interesse an auf Elektroden immobilisierten Redoxproteinen ist in den letzten Jahren stark gestiegen. Die oberflächenverstärkte Resonanz-Raman- (SERR) Spektroelektrochemie eignet sich hervorragend zum Studium des heterogenen Elektronentransfers, da sie selektiv das Schwingungsspektrum der Redoxzentren der immobilisierten Spezies abfragt. SERR Spektroskopie kombiniert die Vorteile der Oberflächen- und Resonanz-Verstärkung, indem Hämproteine auf rauen Silberelektroden adsorbiert und in der ...

  20. Rapidly reconfigurable slow-light system based on off-resonant Raman absorption

    International Nuclear Information System (INIS)

    Vudyasetu, Praveen K.; Howell, John C.; Camacho, Ryan M.

    2010-01-01

    We present a slow-light system based on dual Raman absorption resonances in warm rubidium vapor. Each Raman absorption resonance is produced by a control beam in an off-resonant Λ system. This system combines all optical control of the Raman absorption and the low-dispersion broadening properties of the double Lorentzian absorption slow light. The bandwidth, group delay, and central frequency of the slow-light system can all be tuned dynamically by changing the properties of the control beam. We demonstrate multiple pulse delays with low distortion and show that such a system has fast switching dynamics and thus fast reconfiguration rates.

  1. Resonance raman spectroscopy of an ultraviolet-sensitive insect rhodopsin

    International Nuclear Information System (INIS)

    Pande, C.; Deng, H.; Rath, P.; Callender, R.H.; Schwemer, J.

    1987-01-01

    The authors present the first visual pigment resonance Raman spectra from the UV-sensitive eyes of an insect, Ascalaphus macaronius (owlfly). This pigment contains 11-cis-retinal as the chromophore. Raman data have been obtained for the acid metarhodopsin at 10 0 C in both H 2 O and D 2 O. The C=N stretching mode at 1660 cm -1 in H 2 O shifts to 1631 cm -1 upon deuteriation of the sample, clearly showing a protonated Schiff base linkage between the chromophore and the protein. The structure-sensitive fingerprint region shows similarities to the all-trans-protonated Schiff base of model retinal chromophores, as well as to the octopus acid metarhodopsin and bovine metarhodopsin I. Although spectra measured at -100 0 C with 406.7-nm excitation, to enhance scattering from rhodopsin (λ/sub max/ 345 nm), contain a significant contribution from a small amount of contaminants [cytochrome(s) and/or accessory pigment] in the sample, the C=N stretch at 1664 cm -1 suggests a protonated Schiff base linkage between the chromophore and the protein in rhodopsin as well. For comparison, this mode also appears at ∼ 1660 cm -1 in both the vertebrate (bovine) and the invertebrate (octopus) rhodopsins. These data are particularly interesting since the absorption maximum of 345 nm for rhodopsin might be expected to originate from an unprotonated Schiff base linkage. That the Schiff base linkage in the owlfly rhodopsin, like in bovine and in octopus, is protonated suggests that a charged chromophore is essential to visual transduction

  2. Al-doped MgB_2 materials studied using electron paramagnetic resonance and Raman spectroscopy

    International Nuclear Information System (INIS)

    Bateni, Ali; Somer, Mehmet; Erdem, Emre; Repp, Sergej; Weber, Stefan

    2016-01-01

    Undoped and aluminum (Al) doped magnesium diboride (MgB_2) samples were synthesized using a high-temperature solid-state synthesis method. The microscopic defect structures of Al-doped MgB_2 samples were systematically investigated using X-ray powder diffraction, Raman spectroscopy, and electron paramagnetic resonance. It was found that Mg-vacancies are responsible for defect-induced peculiarities in MgB_2. Above a certain level of Al doping, enhanced conductive properties of MgB_2 disappear due to filling of vacancies or trapping of Al in Mg-related vacancy sites.

  3. Resonant X-ray Raman scattering for Al, Si and their oxides

    International Nuclear Information System (INIS)

    Szlachetko, J.; Berset, M.; Dousse, J.-Cl.; Fennane, K.; Szlachetko, M.; Barrett, R.; Hoszowska, J.; Kubala-Kukus, A.; Pajek, M.

    2005-01-01

    High-resolution measurements of the resonant X-ray Raman scattering (RRS) of Al and Si and their oxides were performed at the European Synchrotron Radiation Facility (ESRF) in Grenoble, France, using a von Hamos Bragg-type curved crystal spectrometer. To probe the influence of chemical effects on the RRS X-ray spectra, Al 2 O 3 and SiO 2 samples were also investigated. The X-ray RRS spectra were measured at different photon beam energies tuned below the K-absorption edge. The measured spectra are compared to results of RRS calculations based on the second-order perturbation theory within the Kramers-Heisenberg approach

  4. Photolytic interruptions of the bacteriorhodopsin photocycle examined by time-resolved resonance raman spectroscopy.

    Science.gov (United States)

    Grieger, I; Atkinson, G H

    1985-09-24

    An investigation of the photolytic conditions used to initiate and spectroscopically monitor the bacteriorhodopsin (BR) photocycle utilizing time-resolved resonance Raman (TR3) spectroscopy has revealed and characterized two photoinduced reactions that interrupt the thermal pathway. One reaction involves the photolytic interconversion of M-412 and M', and the other involves the direct photolytic conversion of the BR-570/K-590 photostationary mixture either to M-412 and M' or to M-like intermediates within 10 ns. The photolytic threshold conditions describing both reactions have been quantitatively measured and are discussed in terms of experimental parameters.

  5. Investigation of SOI Raman Lasers for Mid-Infrared Gas Sensing

    Science.gov (United States)

    Passaro, Vittorio M.N.; De Leonardis, Francesco

    2009-01-01

    In this paper, the investigation and detailed modeling of a cascaded Raman laser, operating in the midwave infrared region, is described. The device is based on silicon-on-insulator optical waveguides and a coupled resonant microcavity. Theoretical results are compared with recent experiments, demonstrating a very good agreement. Design criteria are derived for cascaded Raman lasers working as continuous wave light sources to simultaneously sense two types of gases, namely C2H6 and CO2, at a moderate power level of 130 mW. PMID:22408481

  6. Resonance-Raman spectro-electrochemistry of intermediates in molecular artificial photosynthesis of bimetallic complexes.

    Science.gov (United States)

    Zedler, Linda; Guthmuller, Julien; Rabelo de Moraes, Inês; Kupfer, Stephan; Krieck, Sven; Schmitt, Michael; Popp, Jürgen; Rau, Sven; Dietzek, Benjamin

    2014-05-25

    The sequential order of photoinduced charge transfer processes and accompanying structure changes were analyzed by UV-vis and resonance-Raman spectroscopy of intermediates of a Ru(ii) based photocatalytic hydrogen evolving system obtained by electrochemical reduction.

  7. Hemoglobin structural dynamics as monitored by resonance Raman spectroscopy

    International Nuclear Information System (INIS)

    Spiro, T.G.

    1981-01-01

    Resonance Raman spectra of the heme group are now understood at a level sufficient to provide a useful monitor of several heme structural features. Some porphyrin vibrational frequencies are sensitive to Fe oxidation state, or π-electron distribution, and give insight into the electronic structure of O 2 , CO and NO hemes. Others are sensitive to Fe spin-state, via the associated geometry variation, and provide an accurate index of the porphyrin core size. When examined during the photolysis of CO-hemoglobin via short laser pulses, these frequencies indicate that conversion from low- to h+gh-spin Fe 11 takes place within 30 ps of photolysis, presumably via intersystem-crossing in the excited state, but that the subsequent relaxation of the Fe atom out of the heme plane takes longer than 20 ns, probably because of restraint by the protein. Axial ligand modes have been identified for several heme derivatives. The Fe-imidazole frequency in deoxyhemoglobin is appreciably lowered in the T quaternary structure, as determined in both static and kinetic experiments, suggesting molecular tension or proximal imidazole H-bond weakening in the T state. (author)

  8. Wavelength modulated surface enhanced (resonance) Raman scattering for background-free detection.

    Science.gov (United States)

    Praveen, Bavishna B; Steuwe, Christian; Mazilu, Michael; Dholakia, Kishan; Mahajan, Sumeet

    2013-05-21

    Spectra in surface-enhanced Raman scattering (SERS) are always accompanied by a continuum emission called the 'background' which complicates analysis and is especially problematic for quantification and automation. Here, we implement a wavelength modulation technique to eliminate the background in SERS and its resonant version, surface-enhanced resonance Raman scattering (SERRS). This is demonstrated on various nanostructured substrates used for SER(R)S. An enhancement in the signal to noise ratio for the Raman bands of the probe molecules is also observed. This technique helps to improve the analytical ability of SERS by alleviating the problem due to the accompanying background and thus making observations substrate independent.

  9. Resonance effects in Raman scattering of quantum dots formed by the Langmuir-Blodgett method

    Energy Technology Data Exchange (ETDEWEB)

    Milekhin, A G; Sveshnikova, L L; Duda, T A [Institute of Semiconductor Physics, Lavrentjev av.13, 630090, Novosibirsk (Russian Federation); Surovtsev, N V; Adichtchev, S V [Institute of Automation and Electrometry, Koptyug av.1, 630090, Novosibirsk (Russian Federation); Azhniuk, Yu M [Institute of Electron Physics, Universytetska Str. 21, 88017, Uzhhorod (Ukraine); Himcinschi, C [Institut fuer Theoretische Physik, TU Bergakademie Freiberg, Leipziger Str. 23, 09596, Freiberg (Germany); Kehr, M; Zahn, D R T, E-mail: milekhin@thermo.isp.nsc.r [Semiconductor Physics, Chemnitz University of Technology, Chemnitz (Germany)

    2010-09-01

    The enhancement of Raman scattering by optical phonon modes in quantum dots was achieved in resonant and surface-enhanced Raman scattering experiments by approaching the laser energy to the energy of either the interband transitions or the localized surface plasmons in silver nanoclusters deposited onto the nanostructures. Resonant Raman scattering by TO, LO, and SO phonons as well as their overtones was observed for PbS, ZnS, and ZnO quantum dots while enhancement for LO and SO modes in CdS quantum dots with a factor of about 700 was measured in surface enhanced Raman scattering experiments. Multiple phonon Raman scattering observed up to 5th and 7th order for CdS and ZnO, respectively, confirms the high crystalline quality of the grown QDs.

  10. Characteristics of laser irradiated Hg sub 0 ,835 Cd sub 0 ,165 Te analysed by resonant Raman spectroscopy

    International Nuclear Information System (INIS)

    Scepanovic, M.; Jevtic, M.

    1998-01-01

    The characteristics of Hg sub 0 ,835 Cd sub 0 ,165 Te sample irradiated by a nanosecond Nd: YAG laser pulse are investigated using a resonant Raman spectroscopy. The pulse energy density of 100 mJ/cm sup 2 is close to the energy threshold of material melting under the irradiated conditions. The presented Raman spectra of the unirradiated and irradiated sample parts point out that the laser irradiation induced a little concentration change in the surface sample layers without the essential structural changes (author)

  11. Time-resolved resonance Raman spectroscopy of radiation-chemical processes

    International Nuclear Information System (INIS)

    Tripathi, G.N.R.

    1983-01-01

    A tunable pulsed laser Raman spectrometer for time resolved Raman studies of radiation-chemical processes is described. This apparatus utilizes the state of art optical multichannel detection and analysis techniques for data acquisition and electron pulse radiolysis for initiating the reactions. By using this technique the resonance Raman spectra of intermediates with absorption spectra in the 248-900 nm region, and mean lifetimes > 30 ns can be examined. This apparatus can be used to time resolve the vibrational spectral overlap between transients absorbing in the same region, and to follow their decay kinetics by monitoring the well resolved Raman peaks. For kinetic measurements at millisecond time scale, the Raman technique is preferable over optical absorption method where low frequency noise is quite bothersome. A time resolved Raman study of the pulse radiolytic oxidation of aqueous tetrafluorohydroquinone and p-methoxyphenol is briefly discussed. 15 references, 5 figures

  12. Resonant stimulation of Raman scattering from single-crystal thiophene/phenylene co-oligomers

    International Nuclear Information System (INIS)

    Yanagi, Hisao; Marutani, Yusuke; Matsuoka, Naoki; Hiramatsu, Toru; Ishizumi, Atsushi; Sasaki, Fumio; Hotta, Shu

    2013-01-01

    Amplified Raman scattering was observed from single crystals of thiophene/phenylene co-oligomers (TPCOs). Under ns-pulsed excitation, the TPCO crystals exhibited amplified spontaneous emission (ASE) at resonant absorption wavelengths. With increasing excitation wavelength to the 0-0 absorption edge, the stimulated resonant Raman peaks appeared both in the 0-1 and 0-2 ASE band regions. When the excitation wavelength coincided with the 0-1 ASE band energy, the Raman peaks selectively appeared in the 0-2 ASE band. Such unusual enhancement of the 0-2 Raman scattering was ascribed to resonant stimulation via vibronic coupling with electronic transitions in the uniaxially oriented TPCO molecules

  13. Photochemical cycle of bacteriorhodopsin studied by resonance Raman spectroscopy.

    Science.gov (United States)

    Stockburger, M; Klusmann, W; Gattermann, H; Massig, G; Peters, R

    1979-10-30

    Individual species of the photochemical cycle of bacteriorhodopsin, a retinal-protein complex of Halobacteria, were studied in aqueous suspensions of the "purple membrane" at room temperature by resonance Raman (RR) spectroscopy with flow systems. Two pronounced deuterium shifts were found in the RR spectra of the all-trans complex BR-570 in H2O-D2O suspensions. The first is ascribed to C=NH+ (C=ND+) stretching vibrations of the protonated Schiff base which links retinal to opsin. The second is assigned tentatively to an "X-H" ("X-D") bending mode, where "X" is an atom which carries an exchangeable proton. A RR spectrum of the 13-cis-retinal complex "BR-548" could be deduced from spectra of the dark-adapted purple membrane. The RR spectrum of the M-412 intermediate was monitored in a double-beam pump-probe experiment. The main vibrational features of the intermediate M' in the reaction M-412 in equilibrium hv M' leads to delta BR-570 could be deduced from a photostationary mixture of M-412 and M'. Difference procedures were applied to obtain RR spectra of the L-550 intermediate and of two new long-lived species, R1'-590 and R2-550. From kinetic data it is suggested that T1'-590 links the proton-translocating cycle to the "13-cis" cycle of BR-548. The protonation and isomeric states of the different species are discussed in light of the new spectroscopic and kinetic data. It is found that conformational changes during the photochemical cycle play an important role.

  14. Resonant Raman spectroscopy of PAH-Os self-assembled multilayers

    International Nuclear Information System (INIS)

    Tognalli, N.; Fainstein, A.; Bonazzola, C.; Calvo, E.

    2004-01-01

    We present a resonant Raman scattering study of (PAH-Os/PVS) n and (PAH-Os/GOx) m self-assembled multilayers (n=1-11 and m=1-3). These Os polymer multilayers can be used in electrodes as efficient molecular wires for biomolecular recognition. The Raman intensity dependence on the number of self-assembly cycles provides information on the deposition process. The spectra are identical to that observed for PAH-Os in aqueous solution, indicating that the PAH-Os metal complex structure is conserved in the multilayers. We observe at ∼500 nm incoming and outgoing Raman resonances of osmium and bipyridine vibrational modes. These resonances are associated to the metal-to-ligand charge transfer (MLCT) transition. We study the evolution of these Raman modes as a function of the Os oxidation state during in situ electrochemistry. During the oxidation process, Os(II)→Os(III), the Raman resonance related to the MLCT disappears and the bipyridine related modes harden by ∼10 cm-1. These results are correlated with optical transmission measurements which show the disappearance of the visible region absorption when the Os complex is oxidized. We also find partial quenching of the Raman mode intensity after in situ voltamperometric cycles which demonstrates the existence of photo-electro-chemical processes

  15. 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.

  16. Raman investigation of molybdenum disulfide with different polytypes

    Science.gov (United States)

    Lee, Jae-Ung; Kim, Kangwon; Han, Songhee; Ryu, Gyeong Hee; Lee, Zonghoon; Cheong, Hyeonsik

    The Raman spectra of molybdenum disulfide (MoS2) with different polytypes are investigated. Although 2H-MoS2 is most common in nature, the 3R phase can exist due to a small difference in the formation energy. However, only a few studies are reported for the 3R phase, and most studies have focused on the 2H phase. We found the 2H, 3R and mixed phases of exfoliated few-layer MoS2 from natural molybdenite crystals. The crystal structures of 2H- and 3R-MoS2 are confirmed by the HR-TEM measurements. By using 3 different excitation energies, we compared the Raman spectra of different polytypes in detail. We show that the Raman spectroscopy can be used to identify not only the number of layers but also the polytypes of MoS2.

  17. Polarized and resonant Raman spectroscopy on single InAs nanowires

    Science.gov (United States)

    Möller, M.; de Lima, M. M., Jr.; Cantarero, A.; Dacal, L. C. O.; Madureira, J. R.; Iikawa, F.; Chiaramonte, T.; Cotta, M. A.

    2011-08-01

    We report polarized Raman scattering and resonant Raman scattering studies on single InAs nanowires. Polarized Raman experiments show that the highest scattering intensity is obtained when both the incident and analyzed light polarizations are perpendicular to the nanowire axis. InAs wurtzite optical modes are observed. The obtained wurtzite modes are consistent with the selection rules and also with the results of calculations using an extended rigid-ion model. Additional resonant Raman scattering experiments reveal a redshifted E1 transition for InAs nanowires compared to the bulk zinc-blende InAs transition due to the dominance of the wurtzite phase in the nanowires. Ab initio calculations of the electronic band structure for wurtzite and zinc-blende InAs phases corroborate the observed values for the E1 transitions.

  18. Elastic and Raman scattering of photons from the giant dipole resonance

    International Nuclear Information System (INIS)

    Bar-Noy, T.

    1978-12-01

    In the present work we investigated nuclear Raman and elastic scattering of photons from the Giant Dipole Resonance (GDR) of medium and heavy nuclei. The photons beams were obtained from thermal neutron capture on V, Fe, Ni, Cu and Cr discs, utilizing the IRR-2 reactor. Nine targets, 159 Tb, 165 Ho, 175 Lu, 181 Ta, 197 Au, 209 Bi, 232 Th, 237 Np, and 238 U, representing all spherical and deformed nuclei in the region of medium and heavy nuclei, were used. As preliminary works, we discovered and investigated the 11.4 MeV γ-line, measured the attenuation coefficients at 9 and 11.4 MeV, performed a numerical calculation of Delbrueck amplitudes and modified the Simple Rotator Model (SRM). The absolute scattering cross-sections were measured for each scatterer at 4-8 different energies, and angular distributions in the range 90 deg to 140 deg were carried out at 9 MeV and 11.4 MeV. The experimental results were compared with theoretical predictions of the modified SRM and the Dynamic Collective Model (DCM). The results proved that the modified SRM describes appropriately the scattering from the GDR, including elastic and Raman absolute cross-sections and their angular distributions. (author)

  19. Time-resolved resonance Raman spectroscopy of intermediates of bacteriorhodopsin: The bK(590) intermediate.

    Science.gov (United States)

    Terner, J; Hsieh, C L; Burns, A R; El-Sayed, M A

    1979-07-01

    We have combined microbeam and flow techniques with computer subtraction methods to obtain the resonance Raman spectrum of the short lived batho-intermediate (bK(590)) of bacteriorhodopsin. Comparison of the spectra obtained in (1)H(2)O and (2)H(2)O, as well as the fact that the bK(590) intermediate shows large optical red shifts, suggests that the Schiff base linkage of this intermediate is protonated. The fingerprint region of the spectrum of bK(590), sensitive to the isomeric configuration of the retinal chromophore, does not resemble the corresponding region of the parent bR(570) form. The resonance Raman spectrum of bK(590) as well as the spectra of all of the other main intermediates in the photoreaction cycle of bacteriorhodopsin are discussed and compared with resonance Raman spectra of published model compounds.

  20. UV Resonance Raman Elucidation of the Terminal and Internal Peptide Bond Conformations of Crystalline and Solution Oligoglycines.

    Science.gov (United States)

    Bykov, Sergei V; Asher, Sanford A

    2010-11-30

    Spectroscopic investigations of macromolecules generally attempt to interpret the measured spectra in terms of the summed contributions of the different molecular fragments. This is the basis of the local mode approximation in vibrational spectroscopy. In the case of resonance Raman spectroscopy independent contributions of molecular fragments require both a local mode-like behavior and the uncoupled electronic transitions. Here we show that the deep UV resonance Raman spectra of aqueous solution phase oligoglycines show independent peptide bond molecular fragment contributions indicating that peptide bonds electronic transitions and vibrational modes are uncoupled. We utilize this result to separately determine the conformational distributions of the internal and penultimate peptide bonds of oligoglycines. Our data indicate that in aqueous solution the oligoglycine terminal residues populate conformations similar to those found in crystals (3(1)-helices and β-strands), but with a broader distribution, while the internal peptide bond conformations are centered around the 3(1)-helix Ramachandran angles.

  1. Raman scattering in a nearly resonant density ripple

    International Nuclear Information System (INIS)

    Barr, H.C.; Chen, F.F.

    1987-01-01

    Stimulated Raman scattering of light waves by an underdense plasma is affected by the presence of a density ripple caused by a simultaneously occurring stimulated Brillouin instability. The problem is treated kinetically for the particularly interesting case where the ripple has nearly the same wavelength as the plasma wave. The ripple is found to reduce the growth rate of the usual Raman instability but allows other decay modes to occur. Numerical results for the frequencies, growth rates, and k spectra of these modes are obtained. A physical explanation is given for a baffling result of the calculation. The physical picture is also of interest to particle acceleration by plasma waves

  2. X-ray resonant Raman scattering cross sections of Mn, Fe, Cu and Zn

    International Nuclear Information System (INIS)

    Sanchez, Hector Jorge; Valentinuzzi, MarIa Cecilia; Perez, Carlos

    2006-01-01

    X-ray fluorescence spectra present singular characteristics produced by the different scattering processes. When atoms are irradiated with incident energy lower and close to an absorption edge, scattering peaks appear due to an inelastic process known as resonant Raman scattering. It constitutes an important contribution to the background of the fluorescent line. The resonant Raman scattering must be taken into account in the determination of low concentration contaminants, especially when the elements have proximate atomic numbers. The values of the mass attenuation coefficients experimentally obtained when materials are analysed with monochromatic x-ray beams under resonant conditions differ from the theoretical values (between 5% and 10%). This difference is due, in part, to the resonant Raman scattering. Monochromatic synchrotron radiation was used to study the Raman effect on pure samples of Mn, Fe, Cu and Zn. Energy scans were carried out in different ranges of energy near the absorption edge of the target element. As the Raman peak has a non-symmetric shape, theoretical models for the differential cross section, convoluted with the instrument function, were used to determine the RRS cross section as a function of the incident energy

  3. Characterizing millisecond intermediates in hemoproteins using rapid-freeze-quench resonance Raman spectroscopy.

    Science.gov (United States)

    Matsumura, Hirotoshi; Moënne-Loccoz, Pierre

    2014-01-01

    The combination of rapid freeze quenching (RFQ) with resonance Raman (RR) spectroscopy represents a unique tool with which to investigate the nature of short-lived intermediates formed during the enzymatic reactions of metalloproteins. Commercially available equipment allows trapping of intermediates within a millisecond to second time scale for low-temperature RR analysis resulting in the direct detection of metal-ligand vibrations and porphyrin skeletal vibrations in hemoproteins. This chapter briefly discusses RFQ-RR studies carried out previously in our laboratory and presents, as a practical example, protocols for the preparation of RFQ samples of the reaction of metmyoglobin with nitric oxide (NO) under anaerobic conditions. Also described are important controls and practical procedures for the analysis of these samples by low-temperature RR spectroscopy.

  4. Ultraviolet resonance Raman spectroscopy for the detection of cocaine in oral fluid

    Science.gov (United States)

    D'Elia, Valentina; Montalvo, Gemma; Ruiz, Carmen García; Ermolenkov, Vladimir V.; Ahmed, Yasmine; Lednev, Igor K.

    2018-01-01

    Detecting and quantifying cocaine in oral fluid is of significant importance for practical forensics. Up to date, mainly destructive methods or biochemical tests have been used, while spectroscopic methods were only applied to pretreated samples. In this work, the possibility of using resonance Raman spectroscopy to detect cocaine in oral fluid without pretreating samples was tested. It was found that ultraviolet resonance Raman spectroscopy with 239-nm excitation allows for the detection of cocaine in oral fluid at 10 μg/mL level. Further method development will be needed for reaching the practically useful levels of cocaine detection.

  5. Investigation of Ferroelectric Domain Walls by Raman Spectroscopy

    Science.gov (United States)

    Stone, Gregory A.

    investigations on other interfaces such as front, side and bottom surfaces revealed a similar appearance of modes due to distortion of wave fronts and reflection. These surfaces are studied to provide insight into mechanism that give rise to Raman modes typically absent for the particular orientation of the crystal.

  6. Monitoring and trace detection of hazardous waste and toxic chemicals using resonance Raman spectroscopy

    International Nuclear Information System (INIS)

    Sedlacek, A.J. III; Dougherty, D.R.; Chen, C.L.

    1993-01-01

    Raman scattering is a coherent, inelastic, two-photon process, which shifts the frequency of an outgoing photon according to the vibrational structure of the irradiated species, thereby providing a unique fingerprint of the molecule. When involving an allowed electronic transition (resonance Raman), this scattering cross section can be enhanced by 10 4 to 10 6 and provides the basis for a viable technique that can monitor and detect trace quantities of hazardous wastes and toxic chemicals. Resonance Raman spectroscopy (RRS) possesses many of the ideal characteristics for monitoring and detecting of hazardous waste and toxic chemicals. Some of these traits are: (1) very high selectivity (chemical specific fingerprints); (2) independence from the excitation wavelength (ability to monitor in the solar blind region); (3) chemical mixture fingerprints are the sum of its individual components (no spectral cross-talk); (4) near independence of the Raman fingerprint to its physical state (very similar spectra for gas, liquid, solid and solutions -- either bulk or aerosols); and (5) insensitivity of the Raman signature to environmental conditions (no quenching). Data from a few chemicals will be presented which illustrate these features. In cases where background fluorescence accompanies the Raman signals, an effective frequency modulation technique has been developed, which can completely eliminate this interference

  7. UV resonance Raman finds peptide bond-Arg side chain electronic interactions.

    Science.gov (United States)

    Sharma, Bhavya; Asher, Sanford A

    2011-05-12

    We measured the UV resonance Raman excitation profiles and Raman depolarization ratios of the arginine (Arg) vibrations of the amino acid monomer as well as Arg in the 21-residue predominantly alanine peptide AAAAA(AAARA)(3)A (AP) between 194 and 218 nm. Excitation within the π → π* peptide bond electronic transitions result in UVRR spectra dominated by amide peptide bond vibrations. The Raman cross sections and excitation profiles indicate that the Arg side chain electronic transitions mix with the AP peptide bond electronic transitions. The Arg Raman bands in AP exhibit Raman excitation profiles similar to those of the amide bands in AP which are conformation specific. These Arg excitation profiles distinctly differ from the Arg monomer. The Raman depolarization ratios of Arg in monomeric solution are quite simple with ρ = 0.33 indicating enhancement by a single electronic transition. In contrast, we see very complex depolarization ratios of Arg in AP that indicate that the Arg residues are resonance enhanced by multiple electronic transitions.

  8. Resonance Raman spectra of wurtzite and zincblende CdSe nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Kelley, Anne Myers, E-mail: amkelley@ucmerced.edu [Chemistry and Chemical Biology, School of Natural Sciences, University of California, 5200 North Lake Road, Merced, CA 95343 (United States); Dai, Quanqin; Jiang, Zhong-jie; Baker, Joshua A.; Kelley, David F. [Chemistry and Chemical Biology, School of Natural Sciences, University of California, 5200 North Lake Road, Merced, CA 95343 (United States)

    2013-08-30

    Highlights: ► Very similar resonance Raman spectra of wurtzite and zincblende CdSe nanocrystals. ► First absolute resonance Raman cross-sections reported for CdSe nanocrystals. ► LO overtones suggest slightly stronger electron–phonon coupling in wurtzite form. - Abstract: Resonance Raman spectra and absolute differential Raman cross-sections have been measured for CdSe nanocrystals in both the wurtzite and zincblende crystal forms at four excitation wavelengths from 457.9 to 514.5 nm. The frequency and bandshape of the longitudinal optical (LO) phonon fundamental is essentially identical for both crystal forms at each excitation wavelength. The LO phonon overtone to fundamental intensity ratio appears to be slightly higher for the wurtzite form, which may suggest slightly stronger exciton–phonon coupling from the Fröhlich mechanism in the wurtzite form. The LO fundamental Raman cross-sections are very similar for both crystal forms at each excitation wavelength.

  9. 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...

  10. Boosting the Amount of Molecular Information Through Polarized Resolved Resonance Raman Scattering

    DEFF Research Database (Denmark)

    Hassing, Søren

    2017-01-01

    and near-infrared absorption spectroscopy, i.e. only the spectral distribution is analysed. The goal of the present chapter is to demonstrate that the amount of molecular information (also for solutions and powders) can be increased considerably by analysing also the polarization of the Raman and resonance...... Ramanscattered light. The goal is achieved through: (1) a discussion of the basic properties of Raman scattering with special focus on polarization and polarization dispersion. The discussion includes the rotational invariants of Raman tensors, the non-commuting generator approach to molecular symmetry as a tool...... for construction of state and Raman tensors for single molecules and dimers and higher aggregates and thereby predict the polarization; (2) a discussion of two illustrative case studies: Case study 1: Aggregation of haemoglobin in red blood cells (RBC); and Case study 2: In vitro polarization resolved RRS study...

  11. Resonance Raman and UV-visible spectroscopy of black dyes on textiles.

    Science.gov (United States)

    Abbott, Laurence C; Batchelor, Stephen N; Smith, John R Lindsay; Moore, John N

    2010-10-10

    Resonance Raman and UV-visible diffuse reflectance spectra were recorded from samples of cotton, viscose, polyester, nylon, and acrylic textile swatches dyed black with one of seven single dyes, a mixture of two dyes, or one of seven mixtures of three dyes. The samples generally gave characteristic Raman spectra of the dyes, demonstrating that the technique is applicable for the forensic analysis of dyed black textiles. Survey studies of the widely used dye Reactive Black 5 show that essentially the same Raman spectrum is obtained on bulk sampling from the dye in solution, on viscose, on cotton at different uptakes, and on microscope sampling from the dye in cotton threads and single fibres. The effects of laser irradiation on the Raman bands and emission backgrounds from textile samples with and without dye are also reported. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

  12. Surface-Enhanced Raman Scattering Using Silica Whispering-Gallery Mode Resonators

    Science.gov (United States)

    Anderson, Mark S.

    2013-01-01

    The motivation of this work was to have robust spectroscopic sensors for sensitive detection and chemical analysis of organic and molecular compounds. The solution is to use silica sphere optical resonators to provide surface-enhanced spectroscopic signal. Whispering-gallery mode (WGM) resonators made from silica microspheres were used for surface-enhanced Raman scattering (SERS) without coupling to a plasmonic mechanism. Large Raman signal enhancement is observed by exclusively using 5.08-micron silica spheres with 785-nm laser excitation. The advantage of this non-plasmonic approach is that the active substrate is chemically inert silica, thermally stable, and relatively simple to fabricate. The Raman signal enhancement is broadly applicable to a wide range of molecular functional groups including aliphatic hydrocarbons, siloxanes, and esters. Applications include trace organic analysis, particularly for in situ planetary instruments that require robust sensors with consistent response.

  13. High-pressure Raman investigation of the semiconductor antimony oxide

    Energy Technology Data Exchange (ETDEWEB)

    Geng, Aihui; Cao, Lihua [State Key Lab on High Power Semiconductor Laser, Changchun University of Science and Technology, 130022 Changchun (China); Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 130012 Changchun (China); Wan, Chunming [State Key Lab on High Power Semiconductor Laser, Changchun University of Science and Technology, 130022 Changchun (China); Ma, Yanmei [Department of Agronomy, Jilin University, 130062 Changchun (China)

    2011-05-15

    The in situ high-pressure behavior of the semiconductor antimony trioxide (Sb{sub 2}O{sub 3}) has been investigated by Raman spectroscopy techniques in a diamond anvil cell up to 20 GPa at room temperature. New peaks in the external lattice mode range emerged at a pressure above 8.6-15 GPa, suggesting that the structural phase transition occurred. The pressure dependence of Raman frequencies was obtained. The band at 139 cm{sup -1} (assigned to group mode) has a pressure dependence of -0.475 cm{sup -1}/GPa and reveals significant softening at high pressure. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

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

    DEFF Research Database (Denmark)

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

    1984-01-01

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

  15. Ultraviolet-resonance femtosecond stimulated Raman study of the initial events in photoreceptor chromophore

    Directory of Open Access Journals (Sweden)

    Tahara T.

    2013-03-01

    Full Text Available Newly-developed ultraviolet-resonance femtosecond stimulated-Raman spectroscopy was utilized to study the initial structural evolution of photoactive yellow protein chromophore in solution. The obtained spectra changed drastically within 1 ps, demonstrating rapid in-plane deformations of the chromophore.

  16. Applicability of surface-enhanced resonance Raman scattering for the direct discrimination of ballpoint pen inks

    NARCIS (Netherlands)

    Seifar, R.M.; Verheul, J.M.; Ariese, F.; Brinkman, U.A.T.; Gooijer, C.

    2001-01-01

    In situ surface-enhanced resonance Raman spectroscopy (SERRS) with excitation at 685 nm is suitable for the direct discrimination of blue and black ballpoint pen inks on paper. For black inks, shorter excitation wavelengths can also be used. For blue inks, SERRS at 514.5 and 457.9 nm does not

  17. Detection of Molecular Chirality by Induced Resonance Raman Optical Activity in Europium Complexes

    Czech Academy of Sciences Publication Activity Database

    Yamamoto, Shigeki; Bouř, Petr

    2012-01-01

    Roč. 51, č. 44 (2012), s. 11058-11061 ISSN 1433-7851 R&D Projects: GA MŠk(CZ) LH11033; GA ČR GAP208/11/0105 Institutional support: RVO:61388963 Keywords : europium * complexes * raman optical activity * resonance Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 13.734, year: 2012

  18. Preliminary identification of unicellular algal genus by using combined confocal resonance Raman spectroscopy with PCA and DPLS analysis

    Science.gov (United States)

    He, Shixuan; Xie, Wanyi; Zhang, Ping; Fang, Shaoxi; Li, Zhe; Tang, Peng; Gao, Xia; Guo, Jinsong; Tlili, Chaker; Wang, Deqiang

    2018-02-01

    The analysis of algae and dominant alga plays important roles in ecological and environmental fields since it can be used to forecast water bloom and control its potential deleterious effects. Herein, we combine in vivo confocal resonance Raman spectroscopy with multivariate analysis methods to preliminary identify the three algal genera in water blooms at unicellular scale. Statistical analysis of characteristic Raman peaks demonstrates that certain shifts and different normalized intensities, resulting from composition of different carotenoids, exist in Raman spectra of three algal cells. Principal component analysis (PCA) scores and corresponding loading weights show some differences from Raman spectral characteristics which are caused by vibrations of carotenoids in unicellular algae. Then, discriminant partial least squares (DPLS) classification method is used to verify the effectiveness of algal identification with confocal resonance Raman spectroscopy. Our results show that confocal resonance Raman spectroscopy combined with PCA and DPLS could handle the preliminary identification of dominant alga for forecasting and controlling of water blooms.

  19. Determination of Temperature-Dependent Stress State in Thin AlGaN Layer of AlGaN/GaN HEMT Heterostructures by Near-Resonant Raman Scattering

    OpenAIRE

    Yanli Liu; Xifeng Yang; Dunjun Chen; Hai Lu; Rong Zhang; Youdou Zheng

    2015-01-01

    The temperature-dependent stress state in the AlGaN barrier layer of AlGaN/GaN heterostructure grown on sapphire substrate was investigated by ultraviolet (UV) near-resonant Raman scattering. Strong scattering peak resulting from the A1(LO) phonon mode of AlGaN is observed under near-resonance condition, which allows for the accurate measurement of Raman shifts with temperature. The temperature-dependent stress in the AlGaN layer determined by the resonance Raman spectra is consistent with th...

  20. Detection of aniline oligomers on polyaniline-gold interface using resonance Raman scattering.

    Science.gov (United States)

    Trchová, Miroslava; Morávková, Zuzana; Dybal, Jiří; Stejskal, Jaroslav

    2014-01-22

    In situ deposited conducting polyaniline films prepared by the oxidation of aniline with ammonium peroxydisulfate in aqueous media of various acidities on gold and silicon supports were characterized by Raman spectroscopy. Enhanced Raman bands were found in the spectra of polyaniline films produced in the solutions of weak acids or in water on gold surface. These bands were weak for the films prepared in solutions of a strong acid on a gold support. The same bands are present in the Raman spectra of the reaction intermediates deposited during aniline oxidation in water or aqueous solutions of weak or strong acids on silicon removed from the reaction mixture at the beginning of the reaction. Such films are formed by aniline oligomers adsorbed on the surface. They were detected on the polyaniline-gold interface using resonance Raman scattering on the final films deposited on gold. The surface resonance Raman spectroscopy of the monolayer of oligomers found in the bulk polyaniline film makes this method advantageous in surface science, with many applications in electrochemistry, catalysis, and biophysical, polymer, or analytical chemistry.

  1. Raman scattering enhancement in photon-plasmon resonance mediated metal-dielectric microcavity

    International Nuclear Information System (INIS)

    Guddala, Sriram; Narayana Rao, D.; Dwivedi, Vindesh K.; Vijaya Prakash, G.

    2013-01-01

    Here, we report the photon-plasmon interaction scheme and enhanced field strengths resulted into the amplification of phonon in a novel microcavity. A metal-dielectric microcavity, with unified cavity photonic mode and localized surface plasmon resonances, is visualized by impregnating the gold nanoparticles into the deep see-through nano-sized pores of porous silicon microcavity. The intense optical field strengths resulting from the photon-plasmon interactions are probed by both resonant and non-resonant Raman scattering experiments. Due to photon-plasmon-phonon interaction mechanism, several orders of enhancement in the intensity of scattered Raman Stokes photon (at 500 cm −1 ) are observed. Our metal nanoparticle-microcavity hybrid system shows the potential to improve the sensing figure of merit as well as the applications of plasmonics for optoelectronics, photovoltaics, and related technologies

  2. Identification of resonant x-ray Raman scattering using SR- and conventional TXRF

    International Nuclear Information System (INIS)

    Zhu, Q.; Burrow, B.; Baur, K.; Brennan, S.; Pianetta, P.

    2000-01-01

    Analyzing and control the surface contamination are important steps in the processing of integrated circuits. The need for using non-destructive analysis techniques either as laboratory or in-line inspection tools has increased dramatically in the past. Total reflection x-ray fluorescence (TXRF) spectroscopy is one of the best choices to fill such needs. Earlier works have established the phenomenon of resonant x-ray Raman scattering with excitation energy very close to the Si-K absorption edge (1.74 keV). In this work, similar phenomena are identified in W-silicide and GaAs substrate with the excitation of W-Lβ 9.67 keV) line, a choice of x-ray source for almost all the conventional TXRF systems nowadays. The observation of the resonant Raman peak is clearly the result of close proximity of W-L and As-K absorption edges to the excitation energy. Synchrotron TXRF measurements are performed by tuning the excitation energy. The resonant Raman peak shifts accordingly with the excitation energy, along with the drastic change of its intensity below and above the absorption edge of W-L or As-K in the respective samples. The current analysis provides new perspective for analyzing W- and As-containing samples, which suggests Raman background correction in conventional TXRF with W-Lβ excitation. (author)

  3. Excited-state structure and electronic dephasing time of Nile blue from absolute resonance Raman intensities

    Science.gov (United States)

    Lawless, Mary K.; Mathies, Richard A.

    1992-06-01

    Absolute resonance Raman cross sections are measured for Nile blue 690 perchlorate dissolved in ethylene glycol with excitation at 514, 531, and 568 nm. These values and the absorption spectrum are modeled using a time-dependent wave packet formalism. The excited-state equilibrium geometry changes are quantitated for 40 resonance Raman active modes, seven of which (590, 1141, 1351, 1429, 1492, 1544, and 1640 cm-1 ) carry 70% of the total resonance Raman intensity. This demonstrates that in addition to the prominent 590 and 1640 cm-1 modes, a large number of vibrational degrees of freedom are Franck-Condon coupled to the electronic transition. After exposure of the explicit vibrational progressions, the residual absorption linewidth is separated into its homogeneous [350 cm-1 half-width at half-maximum (HWHM)] and inhomogeneous (313 cm-1 HWHM) components through an analysis of the absolute Raman cross sections. The value of the electronic dephasing time derived from this study (25 fs) compares well to previously published results. These data should be valuable in multimode modeling of femtosecond experiments on Nile blue.

  4. One phonon resonant Raman scattering in semiconductor quantum wires: Magnetic field effect

    Energy Technology Data Exchange (ETDEWEB)

    Betancourt-Riera, Re., E-mail: rbriera@posgrado.cifus.uson.mx [Instituto Tecnologico de Hermosillo, Avenida Tecnologico S/N, Colonia Sahuaro, C.P. 83170, Hermosillo, Sonor, (Mexico); Departamento de Investigacion en Fisica, Universidad de Sonora, Apartado Postal 5-088, C.P. 83190, Hermosillo, Sonora (Mexico); Betancourt-Riera, Ri. [Instituto Tecnologico de Hermosillo, Avenida Tecnologico S/N, Colonia Sahuaro, C.P. 83170, Hermosillo, Sonora (Mexico); Nieto Jalil, J.M. [Tecnologico de Monterrey-Campus Sonora Norte, Bulevar Enrique Mazon Lopez No. 965, C.P. 83000, Hermosillo, Sonora (Mexico); Riera, R. [Departamento de Investigacion en Fisica, Universidad de Sonora, Apartado Postal 5-088, C.P. 83190, Hermosillo, Sonora (Mexico)

    2013-02-01

    We have developed a theory of one phonon resonant Raman scattering in a semiconductor quantum wire of cylindrical geometry in the presence of an external magnetic field distribution, parallel to the cylinder axis. The effect of the magnetic field in the electron and hole states, and in the Raman scattering efficiency, is determinate. We consider the electron-phonon interaction using a Froehlich-type Hamiltonian, deduced for the case of complete confinement phonon modes by Comas and his collaborators. We also assume T=0 K, a single parabolic conduction and valence bands. The spectra are discussed for different magnetic field values and the selection rules for the processes are also studied.

  5. Unveiling the Aggregation of Lycopene in Vitro and in Vivo: UV-Vis, Resonance Raman, and Raman Imaging Studies.

    Science.gov (United States)

    Ishigaki, Mika; Meksiarun, Phiranuphon; Kitahama, Yasutaka; Zhang, Leilei; Hashimoto, Hideki; Genkawa, Takuma; Ozaki, Yukihiro

    2017-08-31

    The present study investigates the structure of lycopene aggregates both in vitro and in vivo using ultraviolet-visible (UV-vis) and Raman spectroscopies. The electronic absorption bands of the J- and H-aggregates in vitro shift to lower and higher energies, respectively, compared to that of the lycopene monomer. Along with these results, the frequencies of the ν 1 Raman bands were shifted to lower and higher frequencies, respectively. By plotting the frequencies of the ν 1 Raman band against the S 0 → S 2 transition energy, a linear relationship between the data set with different aggregation conformations can be obtained. Therefore, the band positions depending on the different conformations can be explained based on the idea that the effective conjugated C═C chain lengths within lycopene molecules are different due to the environmental effect (site-shift effect) caused by the aggregation conformation. Applying this knowledge to the in vivo measurement of a tomato fruit sample, the relationship between the aggregation conformation of lycopene and the spectral patterns observed in the UV-vis as well as Raman spectra in different parts of tomato fruits was discussed in detail. The results showed that the concentration of lycopene (particularly that of the J-aggregate) specifically increased, whereas that of chlorophyll decreased, with ripening. Furthermore, Raman imaging indicated that lycopene with different aggregate conformations was distributed inhomogeneously, even within one sample. The layer formation in tomato tissues with high concentrations of J- and H-aggregates was successfully visualized. In this manner, the presence of lycopene distributions with different aggregate conformations was unveiled in vivo.

  6. Electron paramagnetic resonance and Raman spectroscopy studies on carbon-doped MgB2 superconductor nanomaterials

    International Nuclear Information System (INIS)

    Bateni, Ali; Somer, Mehmet; Erdem, Emre; Repp, Sergej; Weber, Stefan; Acar, Selcuk; Kokal, Ilkin; Häßler, Wolfgang

    2015-01-01

    Undoped and carbon-doped magnesium diboride (MgB 2 ) samples were synthesized using two sets of mixtures prepared from the precursors, amorphous nanoboron, and as-received amorphous carbon-doped nanoboron. The microscopic defect structures of carbon-doped MgB 2 samples were systematically investigated using X-ray powder diffraction, Raman and electron paramagnetic resonance spectroscopy. Mg vacancies and C-related dangling-bond active centers could be distinguished, and sp 3 -hybridized carbon radicals were detected. A strong reduction in the critical temperature T c was observed due to defects and crystal distortion. The symmetry effect of the latter is also reflected on the vibrational modes in the Raman spectra

  7. Electron paramagnetic resonance and Raman spectroscopy studies on carbon-doped MgB{sub 2} superconductor nanomaterials

    Energy Technology Data Exchange (ETDEWEB)

    Bateni, Ali; Somer, Mehmet, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr [Department of Chemistry, Koc University, RumelifeneriYolu, Sariyer, Istanbul (Turkey); Erdem, Emre, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr; Repp, Sergej; Weber, Stefan [Institut für Physikalische Chemie, Universität Freiburg, Albertstr. 21, 79104 Freiburg (Germany); Acar, Selcuk; Kokal, Ilkin [Pavezyum Kimya Sanayi Dış Ticaret LTD. ŞTI., Tuzla, Istanbul (Turkey); Häßler, Wolfgang [Leibniz Institute for Solid State and Materials Research Dresden (IFW), P.O. Box 270116, 01171 Dresden (Germany)

    2015-04-21

    Undoped and carbon-doped magnesium diboride (MgB{sub 2}) samples were synthesized using two sets of mixtures prepared from the precursors, amorphous nanoboron, and as-received amorphous carbon-doped nanoboron. The microscopic defect structures of carbon-doped MgB{sub 2} samples were systematically investigated using X-ray powder diffraction, Raman and electron paramagnetic resonance spectroscopy. Mg vacancies and C-related dangling-bond active centers could be distinguished, and sp{sup 3}-hybridized carbon radicals were detected. A strong reduction in the critical temperature T{sub c} was observed due to defects and crystal distortion. The symmetry effect of the latter is also reflected on the vibrational modes in the Raman spectra.

  8. Time resolved resonance Raman spectra of anilino radical and aniline radical cation

    International Nuclear Information System (INIS)

    Tripathi, G.N.R.; Schuler, R.H.

    1987-01-01

    We report, in this paper, submicrosecond time resolved resonance Raman spectra of anilino radical and its radical cation as observed in pulse radiolytic studies of the oxidation of aniline in aqueous solution. By excitation in resonance with the broad and weak electronic transition of anilino radical at 400 nm (ε--1250 M -1 cm -1 ) we have observed, for the first time, the vibrational features of this radical. The Wilson ν 8 /sub a/ ring stretching mode at 1560 cm -1 is most strongly resonance enhanced. The ν 7 /sub a/ CN stretching band at 1505 cm -1 , which is shifted to higher frequency by 231 cm -1 with respect to aniline, is also prominent. The frequency of this latter mode indicates that the CN bond in the radical has considerable double bond character. The Raman spectrum of aniline radical cation, excited in resonance with the --425 nm electronic absorption (ε--4000 M -1 cm -1 ), shows features which are similar to phenoxyl radical. Most of the observed frequencies of this radical in solution are in good agreement with vibrational energies determined by recent laser photoelectron spectroscopic studies in the vapor phase. The bands most strongly enhanced in the resonance Raman spectrum are, however, weak in the photoelectron spectrum. While the vibrational frequencies observed for anilino radical and its isoelectronic cation are quite similar, the resonance enhancement patterns are very different. In particular the ν 14 b 2 mode of anilino radical observed at 1324 cm -1 is highly resonance enhanced because of strong vibronic coupling between the 400 nm 2 A 2 -- 2 B 1 and the higher 2 B 1 -- 2 B 1 electronic transitions

  9. Characterization and discrimination of human breast cancer and normal breast tissues using resonance Raman spectroscopy

    Science.gov (United States)

    Wu, Binlin; Smith, Jason; Zhang, Lin; Gao, Xin; Alfano, Robert R.

    2018-02-01

    Worldwide breast cancer incidence has increased by more than twenty percent in the past decade. It is also known that in that time, mortality due to the affliction has increased by fourteen percent. Using optical-based diagnostic techniques, such as Raman spectroscopy, has been explored in order to increase diagnostic accuracy in a more objective way along with significantly decreasing diagnostic wait-times. In this study, Raman spectroscopy with 532-nm excitation was used in order to incite resonance effects to enhance Stokes Raman scattering from unique biomolecular vibrational modes. Seventy-two Raman spectra (41 cancerous, 31 normal) were collected from nine breast tissue samples by performing a ten-spectra average using a 500-ms acquisition time at each acquisition location. The raw spectral data was subsequently prepared for analysis with background correction and normalization. The spectral data in the Raman Shift range of 750- 2000 cm-1 was used for analysis since the detector has highest sensitivity around in this range. The matrix decomposition technique nonnegative matrix factorization (NMF) was then performed on this processed data. The resulting leave-oneout cross-validation using two selective feature components resulted in sensitivity, specificity and accuracy of 92.6%, 100% and 96.0% respectively. The performance of NMF was also compared to that using principal component analysis (PCA), and NMF was shown be to be superior to PCA in this study. This study shows that coupling the resonance Raman spectroscopy technique with subsequent NMF decomposition method shows potential for high characterization accuracy in breast cancer detection.

  10. Al-doped MgB{sub 2} materials studied using electron paramagnetic resonance and Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bateni, Ali; Somer, Mehmet, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr [Department of Chemistry, Koç University, Rumelifeneri Yolu, Sariyer, Istanbul (Turkey); Erdem, Emre, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr; Repp, Sergej [Institut für Physikalische Chemie, Universität Freiburg, Albertstr. 21, Freiburg (Germany); Weber, Stefan [Institut für Physikalische Chemie, Universität Freiburg, Albertstr. 21, Freiburg (Germany); Freiburg Institute for Advanced Studies (FRIAS), Universität Freiburg, Albertstr. 19, Freiburg (Germany)

    2016-05-16

    Undoped and aluminum (Al) doped magnesium diboride (MgB{sub 2}) samples were synthesized using a high-temperature solid-state synthesis method. The microscopic defect structures of Al-doped MgB{sub 2} samples were systematically investigated using X-ray powder diffraction, Raman spectroscopy, and electron paramagnetic resonance. It was found that Mg-vacancies are responsible for defect-induced peculiarities in MgB{sub 2}. Above a certain level of Al doping, enhanced conductive properties of MgB{sub 2} disappear due to filling of vacancies or trapping of Al in Mg-related vacancy sites.

  11. Ultra-violet resonance Raman spectroscopy for the rapid discrimination of urinary tract infection bacteria.

    Science.gov (United States)

    Jarvis, Roger M; Goodacre, Royston

    2004-03-19

    The ability to identify pathogenic organisms rapidly provides significant benefits to clinicians; in particular, with respect to best prescription practices and tracking of recurrent infections. Conventional bioassays require 3-5 days before identification of an organism can be made, thus compromising the effectiveness with which patients can be treated for bacterial infections. We analysed 20 clinical isolates of urinary tract infections (UTI) by ultra-violet resonance Raman (UVRR) spectroscopy, utilising 244 nm excitation delivering approximately 0.1 mW laser power at the sample, with typical spectral collection times of 120 s. UVRR results in resonance-enhanced Raman signals for certain chromophoric segments of macromolecules, intensifying those selected bands above what would otherwise be observed for a normal Raman experiment. Utilising the whole-organism 'fingerprints' obtained by UVRR we were able to discriminate successfully between UTI pathogens using chemometric cluster analyses. This work demonstrates significant improvements in the speed with which spectra can be obtained by Raman spectroscopic techniques for the discrimination of clinical bacterial samples.

  12. Shifted excitation resonance Raman difference spectroscopy using a microsystem light source at 488 nm

    Science.gov (United States)

    Maiwald, M.; Sowoidnich, K.; Schmidt, H.; Sumpf, B.; Erbert, G.; Kronfeldt, H.-D.

    2010-04-01

    Experimental results in shifted excitation resonance Raman difference spectroscopy (SERRDS) at 488 nm will be presented. A novel compact diode laser system was used as excitation light source. The device is based on a distributed feedback (DFB) diode laser as a pump light source and a nonlinear frequency doubling using a periodically poled lithium niobate (PPLN) waveguide crystal. All elements including micro-optics are fixed on a micro-optical bench with a footprint of 25 mm × 5 mm. An easy temperature management of the DFB laser and the crystal was used for wavelength tuning. The second harmonic generation (SHG) provides an additional suppression of the spontaneous emission. Raman spectra of polystyrene demonstrate that no laser bandpass filter is needed for the Raman experiments. Resonance-Raman spectra of the restricted food colorant Tartrazine (FD&C Yellow 5, E 102) in distilled water excited at 488 nm demonstrate the suitability of this light source for SERRDS. A limit of detection (LOD) of 0.4 μmol.l-1 of E102 enables SERRDS at 488 nm for trace detection in e.g. food safety control as an appropriate contactless spectroscopic technique.

  13. Design and performance of an ultraviolet resonance Raman spectrometer for proteins and nucleic acids.

    Science.gov (United States)

    Russell, M P; Vohník, S; Thomas, G J

    1995-04-01

    We describe an ultraviolet resonance Raman (UVRR) spectrometer appropriate for structural studies of biological macromolecules and their assemblies. Instrument design includes the following features: a continuous wave, intracavity doubled, ultraviolet laser source for excitation of the Raman spectrum; a rotating cell (or jet source) for presentation of the sample to the laser beam; a Cassegrain optic with f/1.0 aperture for collection of the Raman scattering; a quartz prism dispersing element for rejection of stray light and Rayleigh scattering; a 0.75-m single grating monochromator for dispersion of the Raman scattering; and a liquid-nitrogen-cooled, charge-coupled device for detection of the Raman photons. The performance of this instrument, assessed on the basis of the observed signal-to-noise ratios, the apparent resolution of closely spaced spectral bands, and the wide spectrometer bandpass of 2200 cm-1, is believed superior to previously described UVRR spectrometers of similar design. Performance characteristics of the instrument are demonstrated in UVRR spectra obtained from standard solvents, p-ethylphenol, which serves as a model for the tyrosine side chain, the DNA nucleotide deoxyguanosine-5'-monophosphate, and the human tumor necrosis factor binding protein, which is considered representative of soluble globular proteins.

  14. Characterization of bundled and individual triple-walled carbon nanotubes by resonant Raman spectroscopy.

    Science.gov (United States)

    Hirschmann, Thomas Ch; Araujo, Paulo T; Muramatsu, Hiroyuki; Zhang, Xu; Nielsch, Kornelius; Kim, Yoong Ahm; Dresselhaus, Mildred S

    2013-03-26

    The optical characterization of bundled and individual triple-walled carbon nanotubes was studied for the first time in detail by using resonant Raman spectroscopy. In our approach, the outer tube of a triple-walled carbon nanotube system protects the two inner tubes (or equivalently the inner double-walled carbon nanotube) from external environment interactions making them a partially isolated system. Following the spectral changes and line-widths of the radial breathing modes and G-band by performing laser energy dependent Raman spectroscopy, it is possible to extract important information as regards to the electronic and vibrational properties, tube diameters, wall-to-wall distances, radial breathing mode, and G-band resonance evolutions as well as high-curvature intertube interactions in isolated double- and triple-walled carbon nanotube systems.

  15. UV-visible and resonance Raman spectroscopy of halogen molecules in clathrate hydrates

    Energy Technology Data Exchange (ETDEWEB)

    Janda, K.C.; Kerenskaya, G.; Goldsheleger, I.U.; Apkarian, V.A.; Fleischer, E.B. [California Univ., Irvine, CA (United States). Dept. of Chemistry

    2008-07-01

    Resonance Raman spectroscopy was used to study halogen clathrate hydrate solids. In particular, this paper presented an ultraviolet-visible spectra for a polycrystalline sample of chlorine clathrate hydrate and two single crystal samples of bromine clathrate hydrate. UV-visible spectroscopy was used to study the interactions between the halogen guest molecule and the host water lattice. The spectrum for chlorine hydrate had a strong temperature dependence, while the spectra for bromine clathrate hydrate single crystals had a stable cubic type 2 structure as well as a tetragonal structure. A metastable cubic type 1 structure was also observed. Resonance Raman spectroscopy showed how the molecules fit into the host cages. 25 refs., 2 tabs., 7 figs.

  16. Determination of Temperature-Dependent Stress State in Thin AlGaN Layer of AlGaN/GaN HEMT Heterostructures by Near-Resonant Raman Scattering

    Directory of Open Access Journals (Sweden)

    Yanli Liu

    2015-01-01

    Full Text Available The temperature-dependent stress state in the AlGaN barrier layer of AlGaN/GaN heterostructure grown on sapphire substrate was investigated by ultraviolet (UV near-resonant Raman scattering. Strong scattering peak resulting from the A1(LO phonon mode of AlGaN is observed under near-resonance condition, which allows for the accurate measurement of Raman shifts with temperature. The temperature-dependent stress in the AlGaN layer determined by the resonance Raman spectra is consistent with the theoretical calculation result, taking lattice mismatch and thermal mismatch into account together. This good agreement indicates that the UV near-resonant Raman scattering can be a direct and effective method to characterize the stress state in thin AlGaN barrier layer of AlGaN/GaN HEMT heterostructures.

  17. Resonance Raman spectroscopy in the picosecond time scale: the carboxyhemoglobin photointermediate

    International Nuclear Information System (INIS)

    Terner, J.; Spiro, T.G.; Nagumo, M.; Nicol, M.F.; El-Sayed, M.A.

    1980-01-01

    A picosecond resonance Raman detection technique is described. The technique is described as specifically applied to the analysis of carboxyhemoglobin (COHb). Irradiaton of COHb with a tightly focused laser produced three distinct bands between 1540 and 1620cm -1 that are distinct from bands of COHb or deoxyHb, and the bands are attributed to an intermediate in the photolysis of COHb which develops within 30ps of the excitation. Computer subtraction of the COHb spectrum yielded a spectrum of the photointermediate

  18. Resonance Raman spectroscopy of amicyanin, a blue copper protein from Paracoccus denitrificans

    International Nuclear Information System (INIS)

    Sharma, K.D.; Loehr, T.M.; Sanders-Loehr, J.; Husain, M.; Davidson, V.L.

    1988-01-01

    The copper binding site of amicyanin from Paracoccus denitrificans has been examined by resonance Raman spectroscopy. The pattern of vibrational modes is clearly similar to those of the blue copper proteins azurin and plastocyanin. Intense resonance-enhanced peaks are observed at 377, 392, and 430 cm-1 as well as weaker overtones and combination bands in the high frequency region. Most of the peaks below 500 cm-1 shift 0.5-1.5 cm-1 to lower energy when the protein is exposed to D 2 O. Based on the pattern of conserved amino acids, the axial type EPR spectrum, and the resonance Raman spectrum, it is proposed that the copper binding site in amicyanin contains a Cu(II) ion in a distorted trigonal planar geometry with one cysteine and two histidine ligands and an axial methionine ligand at a considerably longer distance. Furthermore, the presence of multiple intense Raman peaks in the 400 cm-1 region which are sensitive to deuterium substitution leads to the conclusion that the Cu-S stretch is coupled with internal ligand vibrational modes and that the sulfur of the cysteine ligand is likely to be hydrogen-bonded to the polypeptide backbone

  19. Two-Dimensional Resonance Raman Signatures of Vibronic Coherence Transfer in Chemical Reactions.

    Science.gov (United States)

    Guo, Zhenkun; Molesky, Brian P; Cheshire, Thomas P; Moran, Andrew M

    2017-11-02

    Two-dimensional resonance Raman (2DRR) spectroscopy has been developed for studies of photochemical reaction mechanisms and structural heterogeneity in condensed phase systems. 2DRR spectroscopy is motivated by knowledge of non-equilibrium effects that cannot be detected with traditional resonance Raman spectroscopy. For example, 2DRR spectra may reveal correlated distributions of reactant and product geometries in systems that undergo chemical reactions on the femtosecond time scale. Structural heterogeneity in an ensemble may also be reflected in the 2D spectroscopic line shapes of both reactive and non-reactive systems. In this chapter, these capabilities of 2DRR spectroscopy are discussed in the context of recent applications to the photodissociation reactions of triiodide. We show that signatures of "vibronic coherence transfer" in the photodissociation process can be targeted with particular 2DRR pulse sequences. Key differences between the signal generation mechanisms for 2DRR and off-resonant 2D Raman spectroscopy techniques are also addressed. Overall, recent experimental developments and applications of the 2DRR method suggest that it will be a valuable tool for elucidating ultrafast chemical reaction mechanisms.

  20. Investigation of the Sensitivity of Transmission Raman Spectroscopy for Polymorph Detection in Pharmaceutical Tablets.

    Science.gov (United States)

    Feng, Hanzhou; Bondi, Robert W; Anderson, Carl A; Drennen, James K; Igne, Benoît

    2017-08-01

    Polymorph detection is critical for ensuring pharmaceutical product quality in drug substances exhibiting polymorphism. Conventional analytical techniques such as X-ray powder diffraction and solid-state nuclear magnetic resonance are utilized primarily for characterizing the presence and identity of specific polymorphs in a sample. These techniques have encountered challenges in analyzing the constitution of polymorphs in the presence of other components commonly found in pharmaceutical dosage forms. Laborious sample preparation procedures are usually required to achieve satisfactory data interpretability. There is a need for alternative techniques capable of probing pharmaceutical dosage forms rapidly and nondestructively, which is dictated by the practical requirements of applications such as quality monitoring on production lines or when quantifying product shelf lifetime. The sensitivity of transmission Raman spectroscopy for detecting polymorphs in final tablet cores was investigated in this work. Carbamazepine was chosen as a model drug, polymorph form III is the commercial form, whereas form I is an undesired polymorph that requires effective detection. The concentration of form I in a direct compression tablet formulation containing 20% w/w of carbamazepine, 74.00% w/w of fillers (mannitol and microcrystalline cellulose), and 6% w/w of croscarmellose sodium, silicon dioxide, and magnesium stearate was estimated using transmission Raman spectroscopy. Quantitative models were generated and optimized using multivariate regression and data preprocessing. Prediction uncertainty was estimated for each validation sample by accounting for all the main variables contributing to the prediction. Multivariate detection limits were calculated based on statistical hypothesis testing. The transmission Raman spectroscopic model had an absolute prediction error of 0.241% w/w for the independent validation set. The method detection limit was estimated at 1.31% w/w. The

  1. Surface plasmon enhanced interfacial electron transfer and resonance Raman, surface-enhanced resonance Raman studies of cytochrome C mutants

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Junwei [Iowa State Univ., Ames, IA (United States)

    1999-11-08

    Surface plasmon resonance was utilized to enhance the electron transfer at silver/solution interfaces. Photoelectrochemical reductions of nitrite, nitrate, and CO2 were studied on electrochemically roughened silver electrode surfaces. The dependence of the photocurrent on photon energy, applied potential and concentration of nitrite demonstrates that the photoelectrochemical reduction proceeds via photoemission process followed by the capture of hydrated electrons. The excitation of plasmon resonances in nanosized metal structures resulted in the enhancement of the photoemission process. In the case of photoelectrocatalytic reduction of CO2, large photoelectrocatalytic effect for the reduction of CO2 was observed in the presence of surface adsorbed methylviologen, which functions as a mediator for the photoexcited electron transfer from silver metal to CO2 in solution. Photoinduced reduction of microperoxidase-11 adsorbed on roughened silver electrode was also observed and attributed to the direct photoejection of free electrons of silver metal. Surface plasmon assisted electron transfer at nanostructured silver particle surfaces was further determined by EPR method.

  2. Resonance Raman spectra of phthalocyanine monolayers on different supports. A normal mode analysis of zinc phthalocyanine by means of the MNDO method

    NARCIS (Netherlands)

    Palys, Barbara J.; van den Ham, Dirk M.W.; van den Ham, D.M.W.; Briels, Willem J.; Feil, D.; Feil, Dirk

    1995-01-01

    Resonance Raman spectra of monolayers of transition metal phthalocyanines reveal specific interaction with the support. To elucidate its mechanism, Raman spectra of zinc phthalocyanine monolayers were studied. The analysis was based largely on the results of MNDO calculations. Calculated wavenumbers

  3. Krypton isotope analysis using near-resonant stimulated Raman spectroscopy

    International Nuclear Information System (INIS)

    Whitehead, C.A.; Cannon, B.D.; Wacker, J.F.

    1994-12-01

    A method for measuring low relative abundances of 85 Kr in one liter or less samples of air has been under development here at Pacific Northwest Laboratory. The goal of the Krypton Isotope Laser Analysis (KILA) method is to measure ratios of 10 -10 or less of 85 Kr to more abundant stable krypton. Mass spectrometry and beta counting are the main competing technologies used in rare-gas trace analysis and are limited in application by such factors as sample size, counting times, and selectivity. The use of high-resolution lasers to probe hyperfine levels to determine isotopic abundance has received much attention recently. In this study, we report our progress on identifying and implementing techniques for trace 85 Kr analysis on small gas samples in a static cell as well as limitations on sensitivity and selectivity for the technique. High-resolution pulsed and cw lasers are employed in a laser-induced fluorescence technique that preserves the original sample. This technique, is based on resonant isotopic depletion spectroscopy (RIDS) in which one isotope is optically depleted while preserving the population of a less abundant isotope. The KILA method consists of three steps. In the first step, the 1s 5 metastable level of krypton is populated via radiative cascade following two-photon excitation of the 2p 6 energy level. Next, using RBDS, the stable krypton isotopes are optically depleted to the ground state through the 1s 4 level with the bulk of the 85 Kr population being preserved. Finally, the remaining metastable population is probed to determine 85 Kr concentration. The experimental requirements for each of these steps are outlined below

  4. Resonance Raman assignment and evidence for noncoupling of individual 2- and 4-vinyl vibrational modes in a monomeric cyanomethemoglobin

    International Nuclear Information System (INIS)

    Gersonde, K.; Yu, N.T.; Lin, S.H.; Smith, K.M.; Parish, D.W.

    1989-01-01

    We have investigated the resonance Raman spectra of monomeric insect cyanomethemoglobins (CTT III and CTT IV) reconstituted with (1) protohemes IX selectively deuterated at the 4-vinyl as well as the 2,4-divinyls, (2) monovinyl-truncated hemes such as pemptoheme (2-hydrogen, 4-vinyl) and isopemptoheme (2-vinyl, 4-hydrogen), (3) symmetric hemes such as protoheme III (with 2- and 3-vinyls) and protoheme XIII (with 1- and 4-vinyls), and (4) hemes without 2- and 4-vinyls such as mesoheme IX, deuteroheme IX, 2,4-dimethyldeuteroheme IX, and 2,4-dibromodeuteroheme IX. Evidence is presented that the highly localized vinyl C = C stretching vibrations at the 2- and 4-positions of the heme in these cyanomet CTT hemoglobins are noncoupled and inequivalent; i.e., the 1631- and 1624-cm-1 lines have been assigned to 2-vinyl and 4-vinyl, respectively. The elimination of the 2-vinyl (in pemptoheme) or the 4-vinyl (in isopemptoheme) does not affect the C = C stretching frequency of the remaining vinyl. Furthermore, two low-frequency vinyl bending modes at 412 and 591 cm-1 exhibit greatly different resonance Raman intensities between 2-vinyl and 4-vinyl. The observed intensity at 412 cm-1 is primarily derived from 4-vinyl, whereas the 591-cm-1 line results exclusively from the 2-vinyl. Again, there is no significant coupling between 2-vinyl and 4-vinyl for these two bending modes

  5. Surface-enhanced resonance Raman scattering spectroscopy of single R6G molecules

    Institute of Scientific and Technical Information of China (English)

    Zhou Zeng-Hui; Liu Li; Wang Gui-Ying; Xu Zhi-Zhan

    2006-01-01

    Surface-enhanced resonance Raman scattering (SERRS) of Rhodamine 6G (R6G) adsorbed on colloidal silver clusters has been studied. Based on the great enhancement of the Raman signal and the quench of the fluorescence, the SERRS spectra of R6G were recorded for the samples of dye colloidal solution with different concentrations. Spectral inhomogeneity behaviours from single molecules in the dried sample films were observed with complementary evidences, such as spectral polarization, spectral diffusion, intensity fluctuation of vibrational lines and even "breathing" of the molecules. Sequential spectra observed from a liquid sample with an average of 0.3 dye molecules in the probed volume exhibited the expected Poisson distribution for actually measuring 0, 1 or 2 molecules. Difference between the SERRS spectra of R6G excited by linearly and circularly polarized light were experimentally measured.

  6. Time-resolved resonance raman spectrum of all-trans-diphenylbutadiene in the lowest excited singlet state

    DEFF Research Database (Denmark)

    Wilbrandt, Robert Walter; Jensen, Niels-Henrik; Langkilde, F.W.

    1984-01-01

    The resonance Raman spectrwn of all-trans-diphenylbutadiene in its lowest excited S1 state excited in resonance with the S1 → Sn absorption band at 650 nm in non-polar solvents is reported. Three vibrational bands at 1572, 1481 and 1165 cm−1 are observed. A possible assignment of the the 1481 cm−...

  7. Resonant two-magnon Raman scattering in parent compounds of high-Tc superconductors

    International Nuclear Information System (INIS)

    Chubukov, A.V.; Frenkel, D.M.

    1995-01-01

    We propose a theory of two-magnon Raman scattering from the insulating parent compounds of high-T c superconductors, which contains information not only on magnetism, but also on the electronic properties in these materials. We use spin-density-wave formalism for the Hubbard model, and study diagrammatically the profile of the two-magnon scattering and its intensity dependence on the incoming photon frequency ω i both for ω i much-lt U and in the resonant regime, in which the energy of the incident photon is close to the gap between conduction and valence bands. In the nonresonant case, we identify the diagrams which contribute to the conventional Loudon-Fleury Hamiltonian. In the resonant regime, where most of the experiments have been done, we find that the dominant contribution to Raman intensity comes from a different diagram, one which allows for a simultaneous vanishing of all three of its dominators (i.e., a triple resonanc). We study this diagram in detail and show taht the triple resonance, combined with the spin-density-wave dispersion relation for the carriers, explains the unusual features found in the two-magnon profile and in the two-magnon peak intensity dependence on the incoming photon frequency. In particular, our theory predicts a maximum of the two-magnon peak intensity right at the upper edge of the features in the optical data, which has been one of the key experimental puzzles

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

    OpenAIRE

    Camerlingo, Carlo; Zenone, Flora; Delfino, Ines; Diano, Nadia; Mita, Damiano Gustavo; Lepore, Maria

    2007-01-01

    Liquid samples of clarified apple and apricot juices at different production stages were investigated using visible light micro-Raman spectroscopy in order to assess its potential in monitoring fruit juice production. As is well-known, pectin plays a strategic role in the production of clarified juice and the possibility of using Raman for its detection during production was therefore evaluated. The data analysis has enabled the clear identification of pectin. In particular, Raman spectra of ...

  9. Temperature-dependent μ-Raman investigation of struvite crystals.

    Science.gov (United States)

    Prywer, Jolanta; Kasprowicz, D; Runka, T

    2016-04-05

    The effect of temperature on the vibrational properties of struvite crystals grown from silica gels was systematically studied by μ-Raman spectroscopy. The time-dependent Raman spectra recorded in the process of long time annealing of struvite crystal at 353 K do not indicate structural changes in the struvite crystal with the time of annealing. The temperature-dependent Raman spectra recorded in the range 298-423 K reveal a phase transition in struvite at about 368 K. Above this characteristic temperature, some of bands assigned to vibrations of the PO4 and NH4 tetrahedra and water molecules observed in the Raman spectra in low temperatures (orthorhombic phase) change their spectral parameters or disappear, which indicates a transition to a higher symmetry structure of struvite in the range of high temperatures. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Measurements of vitamin B12 in human blood serum using resonance Raman spectroscopy

    Science.gov (United States)

    Tsiminis, G.; Schartner, E. P.; Brooks, J. L.; Hutchinson, M. R.

    2016-12-01

    Vitamin B12 (cobalamin and its derivatives) deficiency has been identified as a potential modifiable risk factor for dementia and Alzheimer's disease. Chronic deficiency of vitamin B12 has been significantly associated with an increased risk of cognitive decline. An effective and efficient method for measuring vitamin B12 concentration in human blood would enable ongoing tracking and assessment of this potential modifiable risk factor. In this work we present an optical sensor based on resonance Raman spectroscopy for rapid measurements of vitamin B12 in human blood serum. The measurement takes less than a minute and requires minimum preparation (centrifuging) of the collected blood samples.

  11. One phonon resonant Raman scattering in free-standing quantum wires

    International Nuclear Information System (INIS)

    Zhao, Xiang-Fu; Liu, Cui-Hong

    2007-01-01

    The scattering intensity (SI) of a free-standing cylindrical semiconductor quantum wire for an electron resonant Raman scattering (ERRS) process associated with bulk longitudinal optical (LO) phonon modes and surface optical (SO) phonon modes is calculated separately for T=0 K. The Frohlich interaction is considered to illustrate the theory for GaAs and CdS systems. Electron states are confined within a free-standing quantum wire (FSW). Single parabolic conduction and valence bands are assumed. The selection rules are studied. Numerical results and a discussion are also presented for various radii of the cylindrical

  12. Resonance Raman Spectrum of the Transient (SCN)2 Free Radical Anion

    DEFF Research Database (Denmark)

    Wilbrandt, Robert Walter; Jensen, N. H.; Pagsberg, Palle Bjørn

    1979-01-01

    The resonance Raman spectrum of the transient species (λmax = 475 nm, τ½ = 1.6 μs) formed by pulse radiolysis of aqueous solutions of thiocyanate, SCN2−, is reported. The spectrum is discussed in terms of the previous assignment of this transient to the radical anion, (SCN)−2. The observed...... vibrational frequencies of the radical anion are consistent with substantial weakening of the S---S and the Ctriple bond; length as m-dashN bonds are compared with neutral thiocyanogen....

  13. In situ surface enhanced resonance Raman scattering analysis of a reactive dye covalently bound to cotton.

    Science.gov (United States)

    White, P C; Munro, C H; Smith, W E

    1996-06-01

    An in situ surface enhanced resonance Raman scattering (SERRS) procedure is described for the analysis of a reactive dye covalently bound to a single strand of a cotton fibre. This procedure can be completed in 5 h, whereas an alternative enzyme digestion method takes approximately 21 h. These two fibre preparation methods give similar spectra from picogram quantities of dye present on a 2-5 mm length of fibre. The in situ nature of the analysis and the small sample size make this method particularly suitable for forensic applications.

  14. Limiting effects on laser compression by resonant backward Raman scattering in modern experiments

    International Nuclear Information System (INIS)

    Yampolsky, Nikolai A.; Fisch, Nathaniel J.

    2011-01-01

    Through resonant backward Raman scattering, the plasma wave mediates the energy transfer between long pump and short seed laser pulses. These mediations can result in pulse compression at extraordinarily high powers. However, both the overall efficiency of the energy transfer and the duration of the amplified pulse depend upon the persistence of the plasma wave excitation. At least with respect to the recent state-of-the-art experiments, it is possible to deduce that at present the experimentally realized efficiency of the amplifier is likely constrained mainly by two effects, namely, the pump chirp and the plasma wave wavebreaking.

  15. Characterization of lipid oxidation process of beef during repeated freeze-thaw by electron spin resonance technology and Raman spectroscopy.

    Science.gov (United States)

    Chen, Qingmin; Xie, Yunfei; Xi, Jinzhong; Guo, Yahui; Qian, He; Cheng, Yuliang; Chen, Yi; Yao, Weirong

    2018-03-15

    In this study, electron spin resonance (ESR) and Raman spectroscopy were applied to characterize lipid oxidation of beef during repeated freeze-thaw (RFT). Besides the conventional indexes including peroxide values (PV), thiobarbituric acid-reactive substances (TBARS) and acid values (AV) were evaluated, the radical and molecular structure changes were also measured by ESR and Raman spectroscopy. The results showed that PV, TBARS and AV were increased (PRaman intensity of ν(CC) stretching region (1655cm -1 ) was decreased during RFT. Furthermore, lower Raman intensity ratio of I 1655 /I 1442 , I 1655 /I 1745 that determine total unsaturation was also observed. Significant correlations (pRaman spectroscopy. Our result has proved that ESR and Raman spectroscopy showed great potential in characterizing lipid oxidation process of beef during RFT. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Probing edge-activated resonant Raman scattering from mechanically exfoliated 2D MoO3 nanolayers

    International Nuclear Information System (INIS)

    Yano, Taka-aki; Yoshida, Keisuke; Hayashi, Tomohiro; Hara, Masahiko; Hayamizu, Yuhei; Ohuchi, Fumio

    2015-01-01

    We report spatially resolved vibrational analysis of mechanically exfoliated single-crystalline α-MoO 3 nanolayers. Raman scattering from α-MoO 3 was enhanced predominantly at the outside edges of the nanolayers. The enhanced Raman scattering at the edges was attributed primarily to the enhanced resonant Raman effect caused by a high density of oxygen vacancies localized at the edges. The localized vacancy sites corresponded to a non-stoichiometric phase of MoO 3 , which would provide reactive sites with high catalytic activity. (paper)

  17. 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...

  18. Photoinduced intermolecular electron transfer and off-resonance Raman characteristics of Rhodamine 101/N,N-diethylaniline

    International Nuclear Information System (INIS)

    Jiang, Li-lin; Liu, Wei-long; Song, Yun-fei; He, Xing; Wang, Yang; Wang, Chang; Wu, Hong-lin; Yang, Fang; Yang, Yan-qiang

    2014-01-01

    Highlights: • Mechanism of PIET reaction process for the Rh101 + /DEA system is investigated. • The significant geometrical changes of the charge–transfer complex are explained. • Forward Electron transfer from DEA to Rh101 +∗ occurs with lifetime of 425–560 fs. • Backward electron transfer occurs with a time constant of 46.16–51.40 ps. • Intramolecular vibrational relaxation occurs with lifetime of 2.77–5.39 ps. - Abstract: The ultrafast photoinduced intermolecular electron transfer (PIET) reaction of Rhodamine 101 (Rh101 + ) in N,N-diethylaniline (DEA) was investigated using off-resonance Raman, femtosecond time-resolved multiplex transient grating (TG) and transient absorption (TA) spectroscopies. The Raman spectra indicate that the C=C stretching vibration of the chromophore aromatic ring is more sensitive to ET compared with the C-C stretching mode. The ultrafast photoinduced intermolecular forward ET (FET) from DEA to Rh101 +∗ occurs on a time scale of τ FET = 425–560 fs. The backward ET (BET) occurs in the inverted region with a time constant of τ BET = 46.16–51.40 ps. The intramolecular vibrational relaxation (IVR) process occurs on the excited state potential energy surface with the time constant of τ IVR = 2.77–5.39 ps

  19. Photoinduced intermolecular electron transfer and off-resonance Raman characteristics of Rhodamine 101/N,N-diethylaniline

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Li-lin [Department of Physics, Harbin Institute of Technology, Harbin 150001 (China); School of Mechanical and Electronic Engineering, Hezhou University, Hezhou 542800 (China); Liu, Wei-long; Song, Yun-fei; He, Xing; Wang, Yang; Wang, Chang; Wu, Hong-lin [Department of Physics, Harbin Institute of Technology, Harbin 150001 (China); Yang, Fang [National Key Laboratory of Science and Technology on Tunable Laser, Department of Optoelectronics Information Science Technology, Harbin Institute of Technology, Harbin 150001 (China); Yang, Yan-qiang, E-mail: yqyang@hit.edu.cn [Department of Physics, Harbin Institute of Technology, Harbin 150001 (China); National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, Sichuan (China)

    2014-01-31

    Highlights: • Mechanism of PIET reaction process for the Rh101{sup +}/DEA system is investigated. • The significant geometrical changes of the charge–transfer complex are explained. • Forward Electron transfer from DEA to Rh101{sup +∗} occurs with lifetime of 425–560 fs. • Backward electron transfer occurs with a time constant of 46.16–51.40 ps. • Intramolecular vibrational relaxation occurs with lifetime of 2.77–5.39 ps. - Abstract: The ultrafast photoinduced intermolecular electron transfer (PIET) reaction of Rhodamine 101 (Rh101{sup +}) in N,N-diethylaniline (DEA) was investigated using off-resonance Raman, femtosecond time-resolved multiplex transient grating (TG) and transient absorption (TA) spectroscopies. The Raman spectra indicate that the C=C stretching vibration of the chromophore aromatic ring is more sensitive to ET compared with the C-C stretching mode. The ultrafast photoinduced intermolecular forward ET (FET) from DEA to Rh101{sup +∗} occurs on a time scale of τ{sub FET} = 425–560 fs. The backward ET (BET) occurs in the inverted region with a time constant of τ{sub BET} = 46.16–51.40 ps. The intramolecular vibrational relaxation (IVR) process occurs on the excited state potential energy surface with the time constant of τ{sub IVR} = 2.77–5.39 ps.

  20. Resonance Raman spectra of the copper-sulfur chromophores in Achromobacter cycloclastes nitrite reductase.

    Science.gov (United States)

    Dooley, D M; Moog, R S; Liu, M Y; Payne, W J; LeGall, J

    1988-10-15

    Resonance Raman spectroscopy at ambient temperature and 77 K has been used to probe the structures of the copper sites in Achromobacter cycloclastes nitrite reductase. This enzyme contains three copper ions per protein molecule and has two principal electronic absorption bands with lambda max values of 458 and 585 nm. Comparisons between the resonance Raman spectra of nitrite reductase and blue copper proteins establish that both the 458 and 585 nm bands are associated with Cu(II)-S(Cys) chromophores. A histidine ligand probably is also present. Different sets of vibrational frequencies are observed with 457.9 nm (ambient) or 476.1 nm (77 K) excitation as compared with 590 nm (ambient) or 593 nm (77 K) excitation. Excitation profiles indicate that the 458 and 585 nm absorption bands are associated with separate [Cu(II)-S(Cys)N(His)] sites or with inequivalent and uncoupled cysteine ligands in the same site. The former possibility is considered to be more likely.

  1. Resonance Raman study on indoleamine 2,3-dioxygenase: Control of reactivity by substrate-binding

    Energy Technology Data Exchange (ETDEWEB)

    Yanagisawa, Sachiko; Hara, Masayuki [Graduate School of Life Science and Picobiology Institute, University of Hyogo, Koto 3-2-1, Kamigori-cho, Ako-gun, Hyogo 678-1297 (Japan); Sugimoto, Hiroshi; Shiro, Yoshitsugu [Biometal Science Laboratory, RIKEN SPring-8 Center, Harima Institute, Koto 1-1-1, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Ogura, Takashi, E-mail: ogura@sci.u-hyogo.ac.jp [Graduate School of Life Science and Picobiology Institute, University of Hyogo, Koto 3-2-1, Kamigori-cho, Ako-gun, Hyogo 678-1297 (Japan)

    2013-06-20

    Highlights: • Indoleamine 2,3-dioygenase has been studied by resonance Raman spectroscopy. • Trp-binding to the enzyme induces high frequency shift of the Fe–His stretching mode. • Increased imidazolate character of histidine promotes the O–O bond cleavage step. • A fine-tuning of the reactivity of the O–O bond cleavage reaction is identified. • The results are consistent with the sequential oxygen-atom-transfer mechanism. - Abstract: Resonance Raman spectra of ligand-bound complexes including the 4-phenylimidazole complex and of free and L-Trp-bound forms of indoleamine 2, 3-dioxygenase in the ferric state were examined. Effects on the vinyl and propionate substituent groups of the heme were detected in a ligand-dependent fashion. The effects of phenyl group of 4-phenylimidazole on the vinyl and propionate Raman bands were evident when compared with the case of imidazole ligand. Substrate binding to the ferrous protein caused an upshift of the iron–histidine stretching mode by 3 cm{sup −1}, indicating an increase in negativity of the imidazole ring, which favors the O–O bond cleavage. The substrate binding event is likely to be communicated from the heme distal side to the iron–histidine bond through heme substituent groups and the hydrogen-bond network which includes water molecules, as identified in an X-ray structure of a 4-phenylimidazole complex. The results provide evidence for fine-tuning of the reactivity of O–O bond cleavage by the oxygenated heme upon binding of L-Trp.

  2. Low-Cost Resonant Cavity Raman Gas Probe for Multi-Gas Detection

    Science.gov (United States)

    Thorstensen, J.; Haugholt, K. H.; Ferber, A.; Bakke, K. A. H.; Tschudi, J.

    2014-12-01

    Raman based gas sensing can be attractive in several industrial applications, due to its multi-gas sensing capabilities and its ability to detect O_2 and N_2. In this article, we have built a Raman gas probe, based on low-cost components, which has shown an estimated detection limit of 0.5 % for 30 second measurements of N_2 and O_2. While this detection limit is higher than that of commercially available equipment, our estimated component cost is approximately one tenth of the price of commercially available equipment. The use of a resonant Fabry-Pérot cavity increases the scattered signal, and hence the sensitivity, by a factor of 50. The cavity is kept in resonance using a piezo-actuated mirror and a photodiode in a feedback loop. The system described in this article was made with minimum-cost components to demonstrate the low-cost principle. However, it is possible to decrease the detection limit using a higher-powered (but still low-cost) laser and improving the collection optics. By applying these improvements, the detection limit and estimated measurement precision will be sufficient for e.g. the monitoring of input gases in combustion processes, such as e.g. (bio-)gas power plants. In these processes, knowledge about gas compositions with 0.1 % (absolute) precision can help regulate and optimize process conditions. The system has the potential to provide a low-cost, industrial Raman sensor that is optimized for specific gas-detection applications.

  3. Through tissue imaging of a live breast cancer tumour model using handheld surface enhanced spatially offset resonance Raman spectroscopy (SESORRS).

    Science.gov (United States)

    Nicolson, Fay; Jamieson, Lauren E; Mabbott, Samuel; Plakas, Konstantinos; Shand, Neil C; Detty, Michael R; Graham, Duncan; Faulds, Karen

    2018-04-21

    In order to improve patient survival and reduce the amount of unnecessary and traumatic biopsies, non-invasive detection of cancerous tumours is of imperative and urgent need. Multicellular tumour spheroids (MTS) can be used as an ex vivo cancer tumour model, to model in vivo nanoparticle (NP) uptake by the enhanced permeability and retention (EPR) effect. Surface enhanced spatially offset Raman spectroscopy (SESORS) combines both surface enhanced Raman spectroscopy (SERS) and spatially offset Raman spectroscopy (SORS) to yield enhanced Raman signals at much greater sub-surface levels. By utilizing a reporter that has an electronic transition in resonance with the laser frequency, surface enhanced resonance Raman scattering (SERRS) yields even greater enhancement in Raman signal. Using a handheld SORS spectrometer with back scattering optics, we demonstrate the detection of live breast cancer 3D MTS containing SERRS active NPs through 15 mm of porcine tissue. False color 2D heat intensity maps were used to determine tumour model location. In addition, we demonstrate the tracking of SERRS-active NPs through porcine tissue to depths of up to 25 mm. This unprecedented performance is due to the use of red-shifted chalcogenpyrylium-based Raman reporters to demonstrate the novel technique of surface enhanced spatially offset resonance Raman spectroscopy (SESORRS) for the first time. Our results demonstrate a significant step forward in the ability to detect vibrational fingerprints from a tumour model at depth through tissue. Such an approach offers significant promise for the translation of NPs into clinical applications for non-invasive disease diagnostics based on this new chemical principle of measurement.

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

    DEFF Research Database (Denmark)

    Petersen, Frederic Nicolas Rønne; Helix Nielsen, Claus

    2009-01-01

    ]) 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...

  5. Resonance Raman and surface-enhanced resonance Raman spectra of LH2 antenna complex from Rhodobacter sphaeroides and Ectothiorhodospira sp. excited in the Qx and Qy transitions.

    Science.gov (United States)

    Chumanov, G; Picorel, R; Ortiz de Zarate, I; Cotton, T M; Seibert, M

    2000-05-01

    Well-resolved vibrational spectra of LH2 complex isolated from two photosynthetic bacteria, Rhodobacter sphaeroides and Ectothiorhodospira sp., were obtained using surface-enhanced resonance Raman scattering (SERRS) exciting into the Qx and the Qy transitions of bacteriochlorophyll a. High-quality SERRS spectra in the Qy region were accessible because the strong fluorescence background was quenched near the roughened Ag surface. A comparison of the spectra obtained with 590 nm and 752 nm excitation in the mid- and low-frequency regions revealed spectral differences between the two LH2 complexes as well as between the LH2 complexes and isolated bacteriochlorophyll a. Because peripheral modes of pigments contribute mainly to the low-frequency spectral region, frequencies and intensities of many vibrational bands in this region are affected by interactions with the protein. The results demonstrate that the microenvironment surrounding the pigments within the two LH2 complexes is somewhat different, despite the fact that the complexes exhibit similar electronic absorption spectra. These differences are most probably due to specific pigment-pigment and pigment-protein interactions within the LH2 complexes, and the approach might be useful for addressing subtle static and dynamic structural variances between pigment-protein complexes from different sources or in complexes altered chemically or genetically.

  6. Arsenic speciation by X-ray spectroscopy using resonant Raman Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez, H.J.; Leani, J.J. [Universidad Nacional de Cordoba, Cba (Argentina); Perez, C.A. [Laboratorio Nacional de Luz Sincrotron (LNLS), Campinas, SP (Brazil)

    2012-07-01

    Full text: The toxicity of arsenic species is widely known. A realistic evaluation of the risk posed by As depends on accurate determination of As speciation, because its toxicity and mobility varies with oxidation state and chemical environment. The most toxic species are inorganic As (III) and As (V) called respectively arsenite or trivalent arsenic, and arsenate or pentavalent arsenic. Recently, x-ray Resonant Raman Scattering spectroscopy has been successfully employed to determine the oxidation state of metals. In this work we use RRS spectroscopy to perform arsenic speciation. The measurements were carried out in XRF station of the D09B-XRF beamline at the Brazilian synchrotron facility (LNLS, Campinas). Mineral samples of As in different oxidation states (As(III) and AS(V)), and two biological forms of arsenic (monomethylarsonic acid (MMA(V) and dimethylarsinic acid DMA(V)) were analysed. The samples were diluted, deposited on silicon wafers and allowed to dry. The amount of liquid deposited on the reflector before evaporation was 20 microliters for all the specimens. These samples were irradiated with monochromatic photons of 11816 eV, i.e., below the K-edge of arsenic in order to inspect the Raman emissions. The measuring lifetime was 3600 sec for each sample. Spectra were analysed with specific programs for spectrum analysis using non-conventional functions for data fitting, i.e., modified Voight functions (for Compton peaks), Gaussian functions for fluorescent and for low intensity peaks (such as escape peaks and other contributions), and polynomial functions for the background. Raman peaks were fitted using specific functions. In this work we have shown that resonant Raman scattering spectroscopy can be used to analyse arsenic species. The method is very simple and reliable. The most important feature of this method relies in the possibility of using the same spectrometer of XRF analysis or TXRF analysis. In this way, practically in the same experiment

  7. Experimental Raman and infrared investigation of phenobarbital febarabamate, difebarbamate and tetrabamate

    Science.gov (United States)

    Buchet, R.; Bill, H.; Siegfried, B.

    The results of a Raman and an i.r. investigation show that the tetrabamate molecule is formed by the hydrogen bonded constituants phenobarbital, febarbamate. Detailed spectroscopic results are given on these four molecules.

  8. Raman Mapping for the Investigation of Nano-phased Materials

    Science.gov (United States)

    Gouadec, G.; Bellot-Gurlet, L.; Baron, D.; Colomban, Ph.

    Nanosized and nanophased materials exhibit special properties. First they offer a good compromise between the high density of chemical bonds by unit volume, needed for good mechanical properties and the homogeneity of amorphous materials that prevents crack initiation. Second, interfaces are in very high concentration and they have a strong influence on many electrical and redox properties. The analysis of nanophased, low crystallinity materials is not straigtforward. The recording of Raman spectra with a geometric resolution close to 0.5 \\upmu {text{ m}^3} and the deep understanding of the Raman signature allow to locate the different nanophases and to predict the properties of the material. Case studies are discussed: advanced polymer fibres, ceramic fibres and composites, textured piezoelectric ceramics and corroded (ancient) steel.

  9. Stimulated Raman spectroscopy and nanoscopy of molecules using near field photon induced forces without resonant electronic enhancement gain

    Energy Technology Data Exchange (ETDEWEB)

    Tamma, Venkata Ananth [CaSTL Center, Department of Chemistry, University of California, Irvine, California 92697 (United States); Huang, Fei; Kumar Wickramasinghe, H., E-mail: hkwick@uci.edu [Department of Electrical Engineering and Computer Science, 142 Engineering Tower, University of California, Irvine, California 92697 (United States); Nowak, Derek [Molecular Vista, Inc., 6840 Via Del Oro, San Jose, California 95119 (United States)

    2016-06-06

    We report on stimulated Raman spectroscopy and nanoscopy of molecules, excited without resonant electronic enhancement gain, and recorded using near field photon induced forces. Photon-induced interaction forces between the sharp metal coated silicon tip of an Atomic Force Microscope (AFM) and a sample resulting from stimulated Raman excitation were detected. We controlled the tip to sample spacing using the higher order flexural eigenmodes of the AFM cantilever, enabling the tip to come very close to the sample. As a result, the detection sensitivity was increased compared with previous work on Raman force microscopy. Raman vibrational spectra of azobenzene thiol and l-phenylalanine were measured and found to agree well with published results. Near-field force detection eliminates the need for far-field optical spectrometer detection. Recorded images show spatial resolution far below the optical diffraction limit. Further optimization and use of ultrafast pulsed lasers could push the detection sensitivity towards the single molecule limit.

  10. Gold split-ring resonators (SRRs) as substrates for surface-enhanced raman scattering

    KAUST Repository

    Yue, Weisheng

    2013-10-24

    We used gold split ring resonators (SRRs) as substrates for surface-enhanced Raman scattering (SERS). The arrays of SRRs were fabricated by electron-beam lithography in combination with plasma etching. In the detection of rhodamine 6G (R6G) molecules, SERS enhancement factors of the order of 105 was achieved. This SERS enhancement increased as the size of the split gap decrease as a consequence of the matching between the resonance wavelength of the SRRs and the excitation wavelength of SERS. As the size of the split gap decreased, the localized surface plasmon resonance shifted to near the excitation wavelength and, thus, resulted in the increase in the electric field on the nanostructures. We used finite integration method (FIT) to simulate numerically the electromagnetic properties of the SRRs. The results of the simulation agreed well with our experimental observations. We anticipate this work will provide an approach to manipulate the SERS enhancement by modulating the size of split gap with SRRs without affecting the area and structural arrangement. © 2013 American Chemical Society.

  11. Elucidation of reactive wavepackets by two-dimensional resonance Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Zhenkun; Molesky, Brian P.; Cheshire, Thomas P.; Moran, Andrew M., E-mail: ammoran@email.unc.edu [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599 (United States)

    2015-09-28

    Traditional second-order kinetic theories fail to describe sub-picosecond photochemical reactions when solvation and vibrational dephasing undermine the assumption of equilibrium initial conditions. Four-wave mixing spectroscopies may reveal insights into such non-equilibrium processes but are limited by the single “population time” available in these types of experiments. Here, we use two-dimensional resonance Raman (2DRR) spectroscopy to expose correlations between coherent nuclear motions of the reactant and product in the photodissociation reaction of triiodide. It is shown that the transition of a nuclear wavepacket from the reactant (triiodide) to product (diiodide) states gives rise to a unique pattern of 2DRR resonances. Peaks associated with this coherent reaction mechanism are readily assigned, because they are isolated in particular quadrants of the 2DRR spectrum. A theoretical model in which the chemical reaction is treated as a vibronic coherence transfer transition from triiodide to diiodide reproduces the patterns of 2DRR resonances detected in experiments. These signal components reveal correlation between the nonequilibrium geometry of triiodide and the vibrational coherence frequency of diiodide. The 2DRR signatures of coherent reaction mechanisms established in this work may generalize to studies of ultrafast energy and charge transfer processes.

  12. Gold split-ring resonators (SRRs) as substrates for surface-enhanced raman scattering

    KAUST Repository

    Yue, Weisheng; Yang, Yang; Wang, Zhihong; Chen, Longqing; Wang, Xianbin

    2013-01-01

    We used gold split ring resonators (SRRs) as substrates for surface-enhanced Raman scattering (SERS). The arrays of SRRs were fabricated by electron-beam lithography in combination with plasma etching. In the detection of rhodamine 6G (R6G) molecules, SERS enhancement factors of the order of 105 was achieved. This SERS enhancement increased as the size of the split gap decrease as a consequence of the matching between the resonance wavelength of the SRRs and the excitation wavelength of SERS. As the size of the split gap decreased, the localized surface plasmon resonance shifted to near the excitation wavelength and, thus, resulted in the increase in the electric field on the nanostructures. We used finite integration method (FIT) to simulate numerically the electromagnetic properties of the SRRs. The results of the simulation agreed well with our experimental observations. We anticipate this work will provide an approach to manipulate the SERS enhancement by modulating the size of split gap with SRRs without affecting the area and structural arrangement. © 2013 American Chemical Society.

  13. Resonance Raman spectroscopy of xanthophylls in pigment mutant thylakoid membranes of pea.

    Science.gov (United States)

    Andreeva, Atanaska; Stoitchkova, Katerina; Busheva, Mira; Apostolova, Emilia; Várkonyi, Zsuzsanna; Garab, Gyözö

    Low-temperature resonance Raman spectroscopy was used to study the changes in the molecular structure and configuration of the major xanthophylls in thylakoid membranes isolated from mutants of pea with modified pigment content and altered structural organization of their pigment-protein complexes. The Raman spectra contained four known groups of bands, nu(1)-nu(4), which could be assigned to originate mainly from the long wavelength absorbing lutein and neoxanthin upon 514.5 nm and at 488 nm excitations, respectively. The overall configuration of these bound xanthophyll molecules in the mutants appeared to be similar to the wild type, and the configuration in the wild type was almost identical with that in the isolated main chlorophyll a/b light harvesting protein complex of photosystem II (LHCII). Significant differences were found mainly in the region of nu(4) (around 960 cm(-1)), which suggest that the macroorganization of PS II-LHCII supercomplexes and/or of the LHCII-only domains are modified in the mutants compared to the wild type. Copyright 2004 Wiley Periodicals, Inc. Biopolymers, 2004

  14. Raman and 11B nuclear magnetic resonance spectroscopic studies of alkaline-earth lanthanoborate glasses

    International Nuclear Information System (INIS)

    Brow, R.K.; Tallant, D.R.; Turner, G.L.

    1996-01-01

    Glasses from the RO·La 2 O 3 ·B 2 O 3 (R = Mg, Ca, and Ba) systems have been examined. Glass formation is centered along the metaborate tie line, from La(BO 2 ) 3 to R(BO 2 ) 2 . Glasses generally have transition temperatures >600 C and expansion coefficients between 60 x 10 -7 /C and 100 x 10 -7 /C. Raman and solid-state nuclear magnetic resonance spectroscopies reveal changes in the metaborate network that depend on both the [R]:[La] ratio and the type of alkaline-earth ion. The fraction of tetrahedral sites is generally reduced in alkaline-earth-rich glasses, with magnesium glasses possessing the lowest concentration of B[4]. Raman spectra indicate that, with increasing [R]:[La] ratio, the preferred metaborate anion changes from a double-chain structure associated with crystalline La(BO 2 ) 3 to the single-chain and ring metaborate anions found in crystalline R(BO 2 ) 2 phases. In addition, disproportionation of the metaborate anions leads to the formation of a variety of other species, including pyroborates with terminal oxygens and more-polymerized species, such as diborates, with tetrahedral borons. Such structural changes are related to the ease of glass formation and some of the glass properties

  15. Surface-Enhanced Resonance Raman Scattering and Visible Extinction Spectroscopy of Copper Chlorophyllin: An Upper Level Chemistry Experiment

    Science.gov (United States)

    Schnitzer, Cheryl S.; Reim, Candace Lawson; Sirois, John J.; House, Paul G.

    2010-01-01

    Advanced chemistry students are introduced to surface-enhanced resonance Raman scattering (SERRS) by studying how sodium copper chlorophyllin (CuChl) adsorbs onto silver colloids (CuChl/Ag) as a function of pH. Using both SERRS and visible extinction spectroscopy, the extent of CuChl adsorption and colloidal aggregation are monitored. Initially at…

  16. Intermolecular interaction of photoexcited Cu(/TMpy-P4) with water studied by transient resonance Raman and picosecond absorption spectroscopies

    NARCIS (Netherlands)

    Kruglik, S.; Kruglik, Sergei G.; Ermolenkov, Vladimir V.; Shvedko, Alexander G.; Orlovich, Valentine A.; Galievsky, Victor A.; Chirvony, Vladimir S.; Otto, Cornelis; Turpin, Pierre-Yves

    1997-01-01

    photoinduced complex between Cu(TMpy-P4) and water molecules, reversibly axially coordinated to the central metal, was observed in picosecond transient absorption and nanosecond resonance Raman experiments. This complex is rapidly created (τ1 = 15 ± 5 ps) in the excited triplet (π, π*) state of

  17. Mechanism of Exciplex Formation Between Cu-Porphyrin and Calf-thymus DNA as Revealed by Saturation Resonance Raman Spectroscopy

    NARCIS (Netherlands)

    Shvedko, A.G.; Kruglik, S.; Kruglik, S.G.; Ermolenkov, V.V.; Turpin, P.Y.; Greve, Jan; Otto, Cornelis

    1999-01-01

    The excited-state complex (exciplex) formation that results from the photoinduced interaction of water-soluble cationic copper(II) 5,10,15,20-tetrakis[4-(N-methylpyridyl)]porphyrin [Cu(TMpy-P4)] with calf-thymus DNA has been studied in detail by resonance Raman (RR) spectroscopy using both ~10 ns

  18. Operational electrochemical stability of thiophene-thiazole copolymers probed by resonant Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wade, Jessica; Wood, Sebastian; Kim, Ji-Seon, E-mail: ji-seon.kim@imperial.ac.uk [Department of Physics and Centre for Plastic Electronics, Imperial College London, London SW7 2AZ (United Kingdom); Beatrup, Daniel; Hurhangee, Michael; McCulloch, Iain; Durrant, James R. [Department of Chemistry and Centre for Plastic Electronics, Imperial College London, London SW7 2AY (United Kingdom); Bronstein, Hugo [Department of Chemistry and Centre for Plastic Electronics, Imperial College London, London SW7 2AY (United Kingdom); Department of Chemistry, University College London, London WC1H 0AJ (United Kingdom)

    2015-06-28

    We report on the electrochemical stability of hole polarons in three conjugated polymers probed by resonant Raman spectroscopy. The materials considered are all isostructural to poly(3-hexyl)thiophene, where thiazole units have been included to systematically deepen the energy level of the highest occupied molecular orbital (HOMO). We demonstrate that increasing the thiazole content planarizes the main conjugated backbone of the polymer and improves the electrochemical stability in the ground state. However, these more planar thiazole containing polymers are increasingly susceptible to electrochemical degradation in the polaronic excited state. We identify the degradation mechanism, which targets the C=N bond in the thiazole units and results in disruption of the main polymer backbone conjugation. The introduction of thiazole units to deepen the HOMO energy level and increase the conjugated backbone planarity can be beneficial for the performance of certain optoelectronic devices, but the reduced electrochemical stability of the hole polaron may compromise their operational stability.

  19. Deformations of the Heme Group of Different Ferrocytochrome c Proteins Probed by Resonance Raman Spectroscopy

    International Nuclear Information System (INIS)

    Hagarman, Andrew; Schweitzer-Stenner, Reinhard; Wallace, Carmichael; Laberge, Monique

    2008-01-01

    We measured the low-frequency polarized resonance Raman spectra of horse heart, chicken, and yeast(C102T) ferrocytochromes c with Soret excitation. We examined the out-of-plane deformations of the heme groups by determining the relative intensities and depolarization ratios of a variety of out-of-plane and in-plane Raman active bands. Analysis of relative Raman intensities shows differences in non-planarity of the heme groups of yeast(C102T), horse heart and chicken cytochrome c. Cytochrome c has been shown to have a dominant ruffling (B 1u ) deformation by means of normal coordinate structural decomposition (NSD) analysis of the heme group in crystal structures. The presence and intensity of B 1u modes, γ 10 -γ 12 , support the indication of ruffling being the major contribution to the non-planar deformations in cytochrome c. Other types of non-planar deformations like doming (A 2U ) and waving (E g ) can be deduced from the Raman activity of γ 5 (A 2u ), γ 21 and γ 22 (E g ). The depolarization ratios of γ 5 , γ 10 , γ 11 and γ 12 are larger than 0.125, indicating the presence of other deformations such as saddling (B 2u ) and propellering (A 1u ), which is again in agreement with the crystal structures of horse heart and yeast ferrocytochrome c. An analysis of the intensities and depolarization ratios of out-of-plane modes revealed that ruffling is comparable in yeast and horse heart cytochrome c, saddling is larger and doming as well as propellering are lower in yeast cytochrome c. With respect to doming and ruffling our results contradict values obtained from the NSD analysis of the corresponding crystal structures. With respect to saddling, our data are in agreement with the crystal structure. The NSD analysis of heme structures resulting from MD simulations did not correlate very well with the spectroscopically obtained results concerning the ruffling and doming coordinate, whereas a qualitative agreement was again obtained for saddling.

  20. Potential drug – nanosensor conjugates: Raman, infrared absorption, surface – enhanced Raman, and density functional theory investigations of indolic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Pięta, Ewa, E-mail: Ewa.Pieta@ifj.edu.pl [Institute of Nuclear Physics, Polish Academy of Sciences, PL-31342 Krakow (Poland); Paluszkiewicz, Czesława [Institute of Nuclear Physics, Polish Academy of Sciences, PL-31342 Krakow (Poland); Oćwieja, Magdalena [J. Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, PL-30239 Krakow (Poland); Kwiatek, Wojciech M. [Institute of Nuclear Physics, Polish Academy of Sciences, PL-31342 Krakow (Poland)

    2017-05-15

    Highlights: • Molecular fragments involved in the adsorption process were determined. • Formation of hydrogen bonds with the negatively charged gold substrates was observed. • Indole moiety strongly interacts with gold nanosensors. • The synthesized sensors are characterized by high stability and reproducibility. • Chemical mechanism plays a crucial role in the enhancement of the Raman signal. - Abstract: An extremely important aspect of planning cancer treatment is not only the drug efficiency but also a number of challenges associated with the side effects and control of this process. That is why it is worth paying attention to the promising potential of the gold nanoparticles combined with a compound treated as a potential drug. This work presents Raman (RS), infrared absorption (IR) and surface–enhanced Raman scattering (SERS) spectroscopic investigations of N–acetyl–5–methoxytryptamine (melatonin) and α–methyl–DL–tryptophan, regarding as anti breast cancer agents. The experimental spectroscopic analysis was supported by the quantum-chemical calculations based on the B3LYP hybrid density functional theory (DFT) at the B3LYP 6–311G(d,p) level of theory. The studied compounds were adsorbed onto two colloidal gold nanosensors synthesized by a chemical reduction method using sodium borohydride (SB) and trisodium citrate (TC), respectively. Its morphology characteristics were obtained using transmission electron microscopy (TEM). It has been suggested that the NH moiety from the aromatic ring, a well-known proton donor, causes the formation of hydrogen bonds with the negatively charged gold surface.

  1. Investigation by raman spectroscopy of the decomposition process of HKUST-1 upon exposure to air

    OpenAIRE

    Todaro, M.; Alessi, A.; Sciortino, L.; Agnello, S.; Cannas, M.; Gelardi, F.; Buscarino, G.

    2016-01-01

    We report an experimental investigation by Raman spectroscopy of the decomposition process of Metal-Organic Framework (MOF) HKUST-1 upon exposure to air moisture (T=300 K, 70% relative humidity). The data collected here are compared with the indications obtained from a model of the process of decomposition of this material proposed in literature. In agreement with that model, the reported Raman measurements indicate that for exposure times longer than 20 days relevant irreversible processes t...

  2. Surface origin and control of resonance Raman scattering and surface band gap in indium nitride

    International Nuclear Information System (INIS)

    Alarcón-Lladó, Esther; Brazzini, Tommaso; Ager, Joel W

    2016-01-01

    Resonance Raman scattering measurements were performed on indium nitride thin films under conditions where the surface electron concentration was controlled by an electrolyte gate. As the surface condition is tuned from electron depletion to accumulation, the spectral feature at the expected position of the ( E 1 , A 1 ) longitudinal optical (LO) near 590 cm −1 shifts to lower frequency. The shift is reversibly controlled with the applied gate potential, which clearly demonstrates the surface origin of this feature. The result is interpreted within the framework of a Martin double resonance, where the surface functions as a planar defect, allowing the scattering of long wavevector phonons. The allowed wavevector range, and hence the frequency, is modulated by the electron accumulation due to band gap narrowing. A surface band gap reduction of over 500 meV is estimated for the conditions of maximum electron accumulation. Under conditions of electron depletion, the full InN bandgap ( E g   =  0.65 eV) is expected at the surface. The drastic change in the surface band gap is expected to influence the transport properties of devices which utilize the surface electron accumulation layer. (paper)

  3. Surface origin and control of resonance Raman scattering and surface band gap in indium nitride

    Science.gov (United States)

    Alarcón-Lladó, Esther; Brazzini, Tommaso; Ager, Joel W.

    2016-06-01

    Resonance Raman scattering measurements were performed on indium nitride thin films under conditions where the surface electron concentration was controlled by an electrolyte gate. As the surface condition is tuned from electron depletion to accumulation, the spectral feature at the expected position of the (E 1, A 1) longitudinal optical (LO) near 590 cm-1 shifts to lower frequency. The shift is reversibly controlled with the applied gate potential, which clearly demonstrates the surface origin of this feature. The result is interpreted within the framework of a Martin double resonance, where the surface functions as a planar defect, allowing the scattering of long wavevector phonons. The allowed wavevector range, and hence the frequency, is modulated by the electron accumulation due to band gap narrowing. A surface band gap reduction of over 500 meV is estimated for the conditions of maximum electron accumulation. Under conditions of electron depletion, the full InN bandgap (E g  =  0.65 eV) is expected at the surface. The drastic change in the surface band gap is expected to influence the transport properties of devices which utilize the surface electron accumulation layer.

  4. In Vitro Polarized Resonance Raman Study of N719 and N719-TBP in Dye Sensitized Solar Cells

    DEFF Research Database (Denmark)

    Hassing, Søren; Jernshøj, Kit Drescher; Nguyen, Phuong Tuyet

    2016-01-01

    Abstract: The working efficiency of dye-sensitized solar cells (DSCs) depends on the long-term stability of the dye itself and on the microscopic structure of the dye-semiconductor interface. Previous experimental studies of DSCs based on ruthenium dye with bipyridine ligands (N719) adsorbed...... to the TiO2substrate applied FTIR,un-polarized Raman (RS) and un-polarized resonance Raman (RRS) spectroscopy. In the un-polarized RRS studies of N719/TiO2 – DSCs the discussion of the adsorption of N719 was based on the rather weak carbonyl or carboxyl group stretching vibrations and on minor spectral...

  5. Investigation of skin cancer treatment efficiency by raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, M. S.; Kim, D. W. [Kyungpook National University, Taegu (Korea)

    2000-04-01

    From the successful perform of the molecular structures of various kinds of human skin cancer. We can predict the types of cancer when a small abnormal change change occurs on skin by raman spectrum. When we applied the cancer causing chemicals, bezopyrene, to nude mouse, it did not develop to cancer. But we had radiated UV light after developed to skin cancer in a few days. We can deduce the development of human skin cancer from the result of nude mouse skin cancer, because the two skin are structurally very similar to each other. From the results of own research we could conform the UV light is essential for the development of skin cancer. The results of own research can be directly apply to early detection and proper treatment of skin cancer in hospital. 32 refs., 40 figs., 16 tabs. (Author)

  6. FTIR, FT-Raman, FT-NMR, UV-visible and quantum chemical investigations of 2-amino-4-methylbenzothiazole.

    Science.gov (United States)

    Arjunan, V; Sakiladevi, S; Rani, T; Mythili, C V; Mohan, S

    2012-03-01

    The FT-IR (4000-400 cm(-1)) and FT-Raman (4000-100 cm(-1)) spectral measurements and complete assignments of the observed spectra of 2-amino-4-methylbenzothiazole (2A4MBT) have been proposed. Ab initio and DFT calculations have been performed and the structural parameters of the compound were determined from the optimised geometry with 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets and giving energies, harmonic vibrational frequencies, depolarisation ratios, IR intensities and Raman activities. (1)H and (13)C NMR spectra were recorded and (1)H and (13)C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO, LUMO and band gap energies were measured by time-dependent DFT (TD-DFT) approach. The geometric parameters, energies, harmonic vibrational frequencies, IR intensities, Raman activities chemical shifts and absorption wavelengths were compared with the available experimental data of the molecule. The influences of methyl and amino groups on the skeletal modes and on the proton chemical shifts have been investigated. Copyright © 2011 Elsevier B.V. All rights reserved.

  7. Temperature lidar measurements from 1 to 105 km altitude using resonance, Rayleigh, and Rotational Raman scattering

    Directory of Open Access Journals (Sweden)

    M. Alpers

    2004-01-01

    Full Text Available For the first time, three different temperature lidar methods are combined to obtain time-resolved complete temperature profiles with high altitude resolution over an altitude range from the planetary boundary layer up to the lower thermosphere (about 1–105 km. The Leibniz-Institute of Atmospheric Physics (IAP at Kühlungsborn, Germany (54° N, 12° E operates two lidar instruments, using three different temperature measurement methods, optimized for three altitude ranges: (1 Probing the spectral Doppler broadening of the potassium D1 resonance lines with a tunable narrow-band laser allows atmospheric temperature profiles to be determined at metal layer altitudes (80–105 km. (2 Between about 20 and 90 km, temperatures were calculated from Rayleigh backscattering by air molecules, where the upper start values for the calculation algorithm were taken from the potassium lidar results. Correction methods have been applied to account for, e.g. Rayleigh extinction or Mie scattering of aerosols below about 32 km. (3 At altitudes below about 25 km, backscattering in the Rotational Raman lines is strong enough to obtain temperatures by measuring the temperature dependent spectral shape of the Rotational Raman spectrum. This method works well down to about 1 km. The instrumental configurations of the IAP lidars were optimized for a 3–6 km overlap of the temperature profiles at the method transition altitudes. We present two night-long measurements with clear wave structures propagating from the lower stratosphere up to the lower thermosphere.

  8. Conformational states of N-acylalanine dithio esters: correlation of resonance Raman spectra with structures

    International Nuclear Information System (INIS)

    Lee, H.; Angus, R.H.; Storer, A.C.; Varughese, K.I.; Carey, P.R.

    1988-01-01

    The conformational states of N-acylalanine dithio esters, involving rotational isomers about the RC(=O)NH-CH(CH 3 ) and NHCH(CH 3 )-C(=S) bonds, are defined and compared to those of N-acylglycine dithio esters. The structure of N-(p-nitrobenzoyl)-DL-alanine ethyl dithio ester has been determined by X-ray crystallographic analysis; it is a B-type conformer with the amide N atom cis to the thiol sulfur. Raman and resonance Raman (RR) measurements on this compound and for the B conformers of solid N-benzoyl-DL-alanine ethyl dithio ester and N-(β-phenylpropionyl)-DL-alanine ethyl dithio ester and its NHCH(CD 3 )C(=S) and NHCH(CH 3 ) 13 C(=S) analogues are used to set up a library of RR data for alanine-based dithio esters in a B-conformer state. RR data for this solid material in its isotopically unsubstituted and CH(C-D 3 )C(=S) and CH(CH 3 ) 13 C(=S) forms provide information on the RR signatures of alanine dithio esters in A-like conformations. RR spectra are compared for the solid compounds, for N-(p-nitrobenzoyl)-DL-alanine, N-(β-phenylpropionyl)-DL-alanine, and (methyloxycarbonyl)-L-phenylalanyl-DL-alanine ethyl dithio ester, and for several 13 C=S- and CD 3 -substituted analogues in CCl 4 or aqueous solutions. The RR data demonstrate that the alanine-based dithio esters take up A, B, and C 5 conformations in solution. The RR spectra of these conformers are clearly distinguishable from those for the same conformers of N-acylglycine dithio esters. However, the crystallographic and spectroscopic results show that the results show that the conformational properties of N-acylglycine and N-acylalanine dithio esters are very similar

  9. Feasibility study of Raman spectroscopy for investigating the mouse retina in vivo

    Science.gov (United States)

    Manna, Suman K.; de Oliveira, Marcos A. S.; Zhang, Pengfei; Maleppat, Ratheesh K.; Chang, Che-Wei; Pugh, Edward N.; Chan, James W.; Zawadzki, Robert J.

    2018-02-01

    The use of Raman spectroscopy in biochemistry has been very successful, particularly because of its ability to identify elementary chemical species. However, application of this spectroscopic technique for in vivo assessment is often limited by autofluorescence, which make detection of Raman signatures difficult. The mouse eye has been used as an optical testbed for investigation of a variety of disease models and therapeutic pathways. Implementation of in vivo Raman spectroscopy in mice retina would be valuable but needs to be examined in context of the intrinsic auto-fluorescence artifact and potential light damage if high probing beam powers were used. To evaluate feasibility, a Raman system was built on a custom SLO/OCT platform allowing mouse positioning and morphological data acquisition along with the Raman signal from a desired retinal eccentricity. The performance of the Raman system was first assessed with a model eye consisting of polystyrene in the image plane (retina), using excitation wavelengths of 488 nm, 561 nm, and 785 nm to determine whether auto-fluorescence would be reduced at longer wavelengths. To improve the SNR, the combined system is featured with the optical compatibility for these three excitations such that their corresponding spectra from a typical region of interest can be acquired consecutively during single imaging run. Our results include emission spectra acquired over 10 s with excitation energy less than 160 J.s-1.m-2 for all wavelengths and corresponding retinal morphology for different mouse strains including WT, BALB/c and ABCA4-/-.

  10. Defect structure in lithium-doped polymer-derived SiCN ceramics characterized by Raman and electron paramagnetic resonance spectroscopy.

    Science.gov (United States)

    Erdem, Emre; Mass, Valentina; Gembus, Armin; Schulz, Armin; Liebau-Kunzmann, Verena; Fasel, Claudia; Riedel, Ralf; Eichel, Rüdiger-A

    2009-07-21

    Lithium-doped polymer-derived silicon carbonitride ceramics (SiCN:Li) synthesized at various pyrolysis temperatures, have been investigated by means of multifrequency and multipulse electron paramagnetic resonance (EPR) and Raman spectroscopy in order to determine different defect states that may impact the materials electronic properties. In particular, carbon- and silicon-based 'dangling bonds' at elevated, as well as metallic networks containing Li0 in the order of 1 microm at low pyrolysis temperatures have been observed in concentrations ranging between 10(14) and 10(17) spins mg(-1).

  11. Resonance Raman imaging as a tool to assess the atmospheric pollution level: carotenoids in Lecanoraceae lichens as bioindicators.

    Science.gov (United States)

    Ibarrondo, I; Prieto-Taboada, N; Martínez-Arkarazo, I; Madariaga, J M

    2016-04-01

    Raman spectroscopy differentiation of carotenoids has traditionally been based on the ν 1 position (C = C stretching vibrations in the polyene chain) in the 1500-1600 cm(-1) range, using a 785 nm excitation laser. However, when the number of conjugated double bonds is similar, as in the cases of zeaxanthin and β-carotene, this distinction is still ambiguous due to the closeness of the Raman bands. This work shows the Raman results, obtained in resonance conditions using a 514 mm laser, on Lecanora campestris and Lecanora atra species, which can be used to differentiate and consequently characterize carotenoids. The presence of the carotenoid found in Lecanoraceae lichens has been demonstrated to depend on the atmospheric pollution level of the environment they inhabit. Astaxanthin, a superb antioxidant, appears as the principal xanthophyll in highly polluted sites, usually together with the UV screening pigment scytonemin; zeaxanthin is the major carotenoid in medium polluted environments, while β-carotene is the major carotenoid in cleaner environments. Based on these observations, an indirect classification of the stress suffered in a given environment can be assessed by simply analysing the carotenoid content in the Lecanoraceae lichens by using resonance Raman imaging.

  12. Magnetic resonance: discovery, investigations, and applications

    International Nuclear Information System (INIS)

    Kessenikh, Aleksandr V

    2009-01-01

    The history of the development of the theoretical ideas and experimental methods of magnetic resonance, as well as the applications of these methods in modern natural science, technology, and medicine, are outlined, with allowance for the contribution of Russian researchers. An assessment of some promising trends of studies and applications of magnetic resonance is given. (from the history of physics)

  13. 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}.

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

    International Nuclear Information System (INIS)

    Sanson, A.; Napolitani, E.; Impellizzeri, G.; Giarola, M.; De Salvador, D.; Privitera, V.; Priolo, F.; Mariotto, G.; Carnera, A.

    2013-01-01

    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 −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 −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 −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 −1

  15. E1 Gap of Wurtzite InAs Single Nanowires Measured by Means of Resonant Raman Spectroscopy

    International Nuclear Information System (INIS)

    Moeller, M.; Lima, M. M. Jr. de; Cantarero, A.; Dacal, L. C. O.; Iikawa, F.; Chiaramonte, T.; Cotta, M. A.

    2011-01-01

    Indium arsenide nanowires were synthesized with an intermixing of wurtzite and zincblende structure by chemical beam epitaxy with the vapor-liquid-solid mechanism. Resonant Raman spectroscopy of the transverse optical phonon mode at 215 cm -1 reveals an E 1 gap of 2.47 eV which is assigned to the electronic band gap at the A point in the indium arsenide wurtzite phase.

  16. E1 Gap of Wurtzite InAs Single Nanowires Measured by Means of Resonant Raman Spectroscopy

    Science.gov (United States)

    Möller, M.; Dacal, L. C. O.; de Lima, M. M.; Iikawa, F.; Chiaramonte, T.; Cotta, M. A.; Cantarero, A.

    2011-12-01

    Indium arsenide nanowires were synthesized with an intermixing of wurtzite and zincblende structure by chemical beam epitaxy with the vapor-liquid-solid mechanism. Resonant Raman spectroscopy of the transverse optical phonon mode at 215 cm-1 reveals an E1 gap of 2.47 eV which is assigned to the electronic band gap at the A point in the indium arsenide wurtzite phase.

  17. Sensitive molecular diagnostics using surface-enhanced resonance Raman scattering (SERRS)

    Science.gov (United States)

    Faulds, Karen; Graham, Duncan; McKenzie, Fiona; MacRae, Douglas; Ricketts, Alastair; Dougan, Jennifer

    2009-02-01

    Surface enhanced resonance Raman scattering (SERRS) is an analytical technique with several advantages over competitive techniques in terms of improved sensitivity and multiplexing. We have made great progress in the development of SERRS as a quantitative analytical method, in particular for the detection of DNA. SERRS is an extremely sensitive and selective technique which when applied to the detection of labelled DNA sequences allows detection limits to be obtained which rival, and in most cases, are better than fluorescence. Here the conditions are explored which will enable the successful detection of DNA using SERRS. The enhancing surface which is used is crucial and in this case suspensions of nanoparticles were used as they allow quantitative behaviour to be achieved and allow analogous systems to current fluorescence based systems to be made. The aggregation conditions required to obtain SERRS of DNA are crucial and herein we describe the use of spermine as an aggregating agent. The nature of the label which is used, be it fluorescent, positively or negatively charged also effects the SERRS response and these conditions are again explored here. We have clearly demonstrated the ability to identify the components of a mixture of 5 analytes in solution by using two different excitation wavelengths and also of a 6-plex using data analysis techniques. These conditions will allow the use of SERRS for the detection of target DNA in a meaningful diagnostic assay.

  18. Quantitative methods for structural characterization of proteins based on deep UV resonance Raman spectroscopy.

    Science.gov (United States)

    Shashilov, Victor A; Sikirzhytski, Vitali; Popova, Ludmila A; Lednev, Igor K

    2010-09-01

    Here we report on novel quantitative approaches for protein structural characterization using deep UV resonance Raman (DUVRR) spectroscopy. Specifically, we propose a new method combining hydrogen-deuterium (HD) exchange and Bayesian source separation for extracting the DUVRR signatures of various structural elements of aggregated proteins including the cross-beta core and unordered parts of amyloid fibrils. The proposed method is demonstrated using the set of DUVRR spectra of hen egg white lysozyme acquired at various stages of HD exchange. Prior information about the concentration matrix and the spectral features of the individual components was incorporated into the Bayesian equation to eliminate the ill-conditioning of the problem caused by 100% correlation of the concentration profiles of protonated and deuterated species. Secondary structure fractions obtained by partial least squares (PLS) and least squares support vector machines (LS-SVMs) were used as the initial guess for the Bayessian source separation. Advantages of the PLS and LS-SVMs methods over the classical least squares calibration (CLSC) are discussed and illustrated using the DUVRR data of the prion protein in its native and aggregated forms. Copyright (c) 2010 Elsevier Inc. All rights reserved.

  19. Combining fibre optic Raman spectroscopy and tactile resonance measurement for tissue characterization

    International Nuclear Information System (INIS)

    Candefjord, Stefan; Nyberg, Morgan; Ramser, Kerstin; Lindahl, Olof A; Jalkanen, Ville

    2010-01-01

    Tissue characterization is fundamental for identification of pathological conditions. Raman spectroscopy (RS) and tactile resonance measurement (TRM) are two promising techniques that measure biochemical content and stiffness, respectively. They have potential to complement the golden standard-–histological analysis. By combining RS and TRM, complementary information about tissue content can be obtained and specific drawbacks can be avoided. The aim of this study was to develop a multivariate approach to compare RS and TRM information. The approach was evaluated on measurements at the same points on porcine abdominal tissue. The measurement points were divided into five groups by multivariate analysis of the RS data. A regression analysis was performed and receiver operating characteristic (ROC) curves were used to compare the RS and TRM data. TRM identified one group efficiently (area under ROC curve 0.99). The RS data showed that the proportion of saturated fat was high in this group. The regression analysis showed that stiffness was mainly determined by the amount of fat and its composition. We concluded that RS provided additional, important information for tissue identification that was not provided by TRM alone. The results are promising for development of a method combining RS and TRM for intraoperative tissue characterization

  20. Continuous Flow-Resonance Raman Spectroscopy of an Intermediate Redox State of Cytochrome-C

    DEFF Research Database (Denmark)

    Forster, M.; Hester, R. E.; Cartling, B.

    1982-01-01

    An intermediate redox state of cytochrome c at alkaline pH, generated upon rapid reduction by sodium dithionite, has been observed by resonance Raman (RR) spectroscopy in combination with the continuous flow technique. The RR spectrum of the intermediate state is reported for excitation both...... in the (alpha, beta) and the Soret optical absorption band. The spectra of the intermediate state are more like those of the stable reduced form than those of the stable oxidized form. For excitation of 514.5 nm, the most prominent indication of an intermediate state is the wave-number shift of one RR band from...... 1,562 cm-1 in the stable oxidized state through 1,535 cm-1 in the intermediate state to 1,544 cm-1 in the stable reduced state. For excitation at 413.1 nm, a band, present at 1,542 cm-1 in the stable reduced state but not present in the stable oxidized state, is absent in the intermediate state. We...

  1. Structural and functional properties of hemoglobins from unicellular organisms as revealed by resonance Raman spectroscopy.

    Science.gov (United States)

    Egawa, Tsuyoshi; Yeh, Syun-Ru

    2005-01-01

    Hemoglobins have been discovered in organisms from virtually all kingdoms. Their presence in unicellular organisms suggests that the gene for hemoglobin is very ancient and that the hemoglobins must have functions other than oxygen transport, in view of the fact that O2 delivery is a diffusion-controlled process in these organisms. Based on sequence alignment, three groups of hemoglobins have been characterized in unicellular organisms. The group-one hemoglobins, termed truncated hemoglobins, consist of proteins with 110-140 amino acid residues and a novel two-over-two alpha-helical sandwich motif. The group-two hemoglobins, termed flavohemoglobins, consist of a hemoglobin domain, with a classical three-over-three alpha-helical sandwich motif, and a flavin-containing reductase domain that is covalently attached to it. The group-three hemoglobins consist of myoglobin-like proteins that have high sequence homology and structural similarity to the hemoglobin domain of flavohemoglobins. In this review, recent resonance Raman studies of each group of these proteins are presented. Their implications are discussed in the context of the structural and functional properties of these novel hemoglobins.

  2. Resonance Raman Spectroscopic Evaluation of Skin Carotenoids as a Biomarker of Carotenoid Status for Human Studies

    Science.gov (United States)

    Mayne, Susan T.; Cartmel, Brenda; Scarmo, Stephanie; Jahns, Lisa; Ermakov, Igor V.; Gellermann, Werner

    2013-01-01

    Resonance Raman Spectroscopy (RRS) is a non-invasive method that has been developed to assess carotenoid status in human tissues including human skin in vivo. Skin carotenoid status has been suggested as a promising biomarker for human studies. This manuscript describes research done relevant to the development of this biomarker, including its reproducibility, validity, feasibility for use in field settings, and factors that affect the biomarker such as diet, smoking, and adiposity. Recent studies have evaluated the response of the biomarker to controlled carotenoid interventions, both supplement-based and dietary [e.g., provision of a high-carotenoid fruit and vegetable (F/V)-enriched diet], demonstrating consistent response to intervention. The totality of evidence supports the use of skin carotenoid status as an objective biomarker of F/V intake, although in the cross-sectional setting, diet explains only some of the variation in this biomarker. However, this limitation is also a strength in that skin carotenoids may effectively serve as an integrated biomarker of health, with higher status reflecting greater F/V intake, lack of smoking, and lack of adiposity. Thus, this biomarker holds promise as both a health biomarker and an objective indicator of F/V intake, supporting its further development and utilization for medical and public health purposes. PMID:23823930

  3. Phase-sensitive detection of optical resonances by using an acousto-optic modulator in the Raman - Nath diffraction mode

    International Nuclear Information System (INIS)

    Baryshev, V N; Domnin, Yu S; Kopylov, L N

    2007-01-01

    A new method for frequency control of an external cavity diode laser without direct modulation of the injection current is proposed. The Pound - Drever optical heterodyne technique or the method of frequency control by frequency-modulated sidebands, in which an acousto-optic modulator operating in the Raman - Nath diffraction mode is used as an external phase modulator, can be employed to obtain error signals upon automatic frequency locking of the diode laser to the saturated absorption resonances within the D 2 line of cesium atoms or to the optical cavity resonances. (control of laser radiation parameters)

  4. Transition from the radiationless resonant Raman scattering to the normal Auger decay in a charge transfer system

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2006-01-01

    The transition from the radiationless resonant Raman scattering to the normal Auger decay in resonant Auger-electron spectroscopy (RAES) spectra of charge transfer (CT) systems is discussed by treating the relaxation and the core-hole decay of the excited core-hole state on the same footing by a many-body theory. When the resonantly excited electron remains at the excited atomic site during the core-hole decay, the RAES spectrum shows the characteristic feature of the resonant Auger-Raman effect, whereas when the excited electron has been transferred from the atomic site before the core-hole decays, the RAES spectrum shows the normal Auger decay. The present theory supports the interpretation of the variation with photon energy of the intensity ratio of the latter spectrum to the former one in the RAES spectrum by the Ar 2p → 4s resonance of Ar atoms adsorbed on Ru(0 0 1) surface reported by Keller et al. [C. Keller, M. Stichler, G. Comelli, F. Esch, S. Lizzit, D. Menzel, W. Wurth, Phys. Rev. B 57 (1998) 11951]. The transition from the radiationless resonant Raman scattering to the normal Auger decay in the RAES spectrum of CuO reported by Finazzi et al. [M. Finazzi, G. Ghiringhell, O. Tjernberg, Ph. Ohresser, N.B. Brookes, Phys. Rev. B 61 (2000) 4629] is discussed in terms of the relaxation of the resonantly excited core-hole state to the core-electron ionized main-line state by the hole-particle excitations. The merging of the resonant Raman-Auger-electron kinetic energy into the normal one about 2 eV above the absorption maximum in Cu 2 O reported by Finazzi et al. [M. Finazzi, G. Ghiringhell, O. Tjernberg, Ph. Ohresser, N.B. Brookes, Phys. Rev. B 61 (2000) 4629] is explained in terms of the change in the characteristics of the screening electron in the two-hole final state. The Ti L 23 -M 23 V RAES spectra of TiO 2 and TiO 2-x are also analyzed

  5. Transient Resonance Raman Spectroscopy of a Light-Driven Sodium-Ion-Pump Rhodopsin from Indibacter alkaliphilus.

    Science.gov (United States)

    Kajimoto, Kousuke; Kikukawa, Takashi; Nakashima, Hiroki; Yamaryo, Haruki; Saito, Yuta; Fujisawa, Tomotsumi; Demura, Makoto; Unno, Masashi

    2017-05-04

    Sodium-ion-pump rhodopsin (NaR) is a microbial rhodopsin that transports Na + during its photocycle. Here we explore the photocycle mechanism of NaR from Indibacter alkaliphilus with transient absorption and transient resonance Raman spectroscopy. The transient absorption data indicate that the photocycle of NaR is K (545 nm) → L (490 nm)/M (420 nm) → O 1 (590 nm) → O 2 (560 nm) → NaR, where the L and M are formed as equilibrium states. The presence of K, L, M, and O intermediates was confirmed by the resonance Raman spectra with 442 and 532 nm excitation. The main component of the transient resonance Raman spectra was due to L which contains a 13-cis retinal protonated Schiff base. The presence of an enhanced hydrogen out-of-plane band as well as its sensitivity to the H/D exchange indicate that the retinal chromophore is distorted near the Schiff base region in L. Moreover, the retinal Schiff base of the L state forms a hydrogen bond that is stronger than that of the dark state. These observations are consistent with a Na + pumping mechanism that involves a proton transfer from the retinal Schiff base to a key aspartate residue (Asp116 in Krokinobacter eikastus rhodopsin 2) in the L/M states.

  6. Asymmetric resonance Raman excitation profiles and violation of the Condon approximation in single-wall carbon nanotubes

    Science.gov (United States)

    Doorn, Stephen; Duque, Juan; Telg, Hagen; Chen, Hang; Swan, Anna; Haroz, Erik; Kono, Junichiro; Tu, Xiaomin; Zheng, Ming

    2012-02-01

    DNA wrapping-based ion exchange chromatography and density gradient ultracentrifugation provide nanotube samples highly enriched in single chiralities. We present resonance Raman excitation profiles for the G-band of several single chirality semiconducting and metallic species. The expected incoming and outgoing resonance peaks are observed in the profiles, but contrary to long-held assumptions, the outgoing resonance is always significantly weaker than the ingoing resonance peak. This strong asymmetry in the profiles arises from a violation of the Condon approximation [1]. Results will be discussed in the context of theoretical models that suggest significant coordinate dependence in the transition dipole (non-Condon effects). The generality of the behavior across semiconducting and metallic types, nanotube family, phonon mode, and Eii will be demonstrated. [4pt] [1] J. Duque et. al., ACS Nano, 5, 5233 (2011).

  7. Determination of retinal chromophore structure in bacteriorhodopsin with resonance Raman spectroscopy.

    Science.gov (United States)

    Smith, S O; Lugtenburg, J; Mathies, R A

    1985-01-01

    The analysis of the vibrational spectrum of the retinal chromophore in bacteriorhodopsin with isotopic derivatives provides a powerful "structural dictionary" for the translation of vibrational frequencies and intensities into structural information. Of importance for the proton-pumping mechanism is the unambiguous determination of the configuration about the C13=C14 and C=N bonds, and the protonation state of the Schiff base nitrogen. Vibrational studies have shown that in light-adapted BR568 the Schiff base nitrogen is protonated and both the C13=C14 and C=N bonds are in a trans geometry. The formation of K625 involves the photochemical isomerization about only the C13=C14 bond which displaces the Schiff base proton into a different protein environment. Subsequent Schiff base deprotonation produces the M412 intermediate. Thermal reisomerization of the C13=C14 bond and reprotonation of the Schiff base occur in the M412------O640 transition, resetting the proton-pumping mechanism. The vibrational spectra can also be used to examine the conformation about the C--C single bonds. The frequency of the C14--C15 stretching vibration in BR568, K625, L550 and O640 argues that the C14--C15 conformation in these intermediates is s-trans. Conformational distortions of the chromophore have been identified in K625 and O640 through the observation of intense hydrogen out-of-plane wagging vibrations in the Raman spectra (see Fig. 2). These two intermediates are the direct products of chromophore isomerization. Thus it appears that following isomerization in a tight protein binding pocket, the chromophore cannot easily relax to a planar geometry. The analogous observation of intense hydrogen out-of-plane modes in the primary photoproduct in vision (Eyring et al., 1982) suggests that this may be a general phenomenon in protein-bound isomerizations. Future resonance Raman studies should provide even more details on how bacterio-opsin and retinal act in concert to produce an

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

    Science.gov (United States)

    Camerlingo, Carlo; Zenone, Flora; Delfino, Ines; Diano, Nadia; Mita, Damiano Gustavo; Lepore, Maria

    2007-10-03

    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.

  9. 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.

  10. Dual Raman-Brillouin spectroscopic investigation of plant stress response and development

    Science.gov (United States)

    Coker, Zachary; Troyanova-Wood, Maria; Marble, Kassie; Yakovlev, Vladislav

    2018-03-01

    Raman and Brillouin spectroscopy are powerful tools for non-invasive and non-destructive investigations of material chemical and mechanical properties. In this study, we use a newly developed custom-built dual Raman-Brillouin microspectroscopy instrument to build on previous works studying in-vivo stress response of live plants using only a Raman spectroscopy system. This dual Raman-Brillouin spectroscopy system is capable of fast simultaneous spectra acquisition from single-point locations. Shifts and changes in a samples Brillouin spectrum indicate a change in the physical characteristics of the sample, namely mechano-elasticity; in measuring this change, we can establish a relationship between the mechanical properties of a sample and known stress response agents, such as reactive oxygen species and other chemical constituents as indicated by peaks in the Raman spectra of the same acquisition point. Simultaneous application of these spectroscopic techniques offers great promise for future development and applications in agricultural and biological studies and can help to improve our understanding of mechanochemical changes of plants and other biological samples in response to environmental and chemically induced stresses at microscopic or cellular level.

  11. Nonlinear Stimulated Raman Exact Passage by Resonance-Locked Inverse Engineering

    Science.gov (United States)

    Dorier, V.; Gevorgyan, M.; Ishkhanyan, A.; Leroy, C.; Jauslin, H. R.; Guérin, S.

    2017-12-01

    We derive an exact and robust stimulated Raman process for nonlinear quantum systems driven by pulsed external fields. The external fields are designed with closed-form expressions from the inverse engineering of a given efficient and stable dynamics. This technique allows one to induce a controlled population inversion which surpasses the usual nonlinear stimulated Raman adiabatic passage efficiency.

  12. An Ultraviolet Resonance Raman Spectroscopic Study of Cisplatin and Transplatin Interactions with Genomic DNA.

    Science.gov (United States)

    Geng, Jiafeng; Aioub, Mena; El-Sayed, Mostafa A; Barry, Bridgette A

    2017-09-28

    Ultraviolet resonance Raman (UVRR) spectroscopy is a label-free method to define biomacromolecular interactions with anticancer compounds. Using UVRR, we describe the binding interactions of two Pt(II) compounds, cisplatin (cis-diamminedichloroplatinum(II)) and its isomer, transplatin, with nucleotides and genomic DNA. Cisplatin binds to DNA and other cellular components and triggers apoptosis, whereas transplatin is clinically ineffective. Here, a 244 nm UVRR study shows that purine UVRR bands are altered in frequency and intensity when mononucleotides are treated with cisplatin. This result is consistent with previous suggestions that purine N7 provides the cisplatin-binding site. The addition of cisplatin to DNA also causes changes in the UVRR spectrum, consistent with binding of platinum to purine N7 and disruption of hydrogen-bonding interactions between base pairs. Equally important is that transplatin treatment of DNA generates similar UVRR spectral changes, when compared to cisplatin-treated samples. Kinetic analysis, performed by monitoring decreases of the 1492 cm -1 band, reveals biphasic kinetics and is consistent with a two-step binding mechanism for both platinum compounds. For cisplatin-DNA, the rate constants (6.8 × 10 -5 and 6.5 × 10 -6 s -1 ) are assigned to the formation of monofunctional adducts and to bifunctional, intrastrand cross-linking, respectively. In transplatin-DNA, there is a 3.4-fold decrease in the rate constant of the slow phase, compared with the cisplatin samples. This change is attributed to generation of interstrand, rather than intrastrand, adducts. This longer reaction time may result in increased competition in the cellular environment and account, at least in part, for the lower pharmacological efficacy of transplatin.

  13. Investigations on the parity of Fano resonances in photonic crystals

    DEFF Research Database (Denmark)

    Østerkryger, Andreas Dyhl; de Lasson, Jakob Rosenkrantz; Yu, Yi

    We investigate the relation between the parity of Fano resonances and field distribution in a photonic crystal structure using Fourier modal method, establishing a correlation between Fano parity and field profile.......We investigate the relation between the parity of Fano resonances and field distribution in a photonic crystal structure using Fourier modal method, establishing a correlation between Fano parity and field profile....

  14. Observation of vector and tensor light shifts in 87Rb using near-resonant, stimulated Raman spectroscopy

    Science.gov (United States)

    Hu, Qing-Qing; Freier, Christian; Sun, Yuan; Leykauf, Bastian; Schkolnik, Vladimir; Yang, Jun; Krutzik, Markus; Peters, Achim

    2018-01-01

    We present the derivation of the frequency-dependent scalar, vector, and tensor dynamical polarizabilities for the two hyperfine levels of the 87Rb atom 5 s ground state. Based on the characterization of the dynamical polarizabilities, we analyze and measure the differential vector and tensor light shift between the 5 s ground-state sublevels with near-resonant, stimulated Raman transitions. These results clarify that the tensor polarizabilities for the ground states of alkali atoms are absent when the light field is far detuned from the atomic resonance and the total electronic angular momentum J is a good quantum number. In the near-resonant case, the light shifts are nontrivial and the determination of the frequency-dependent vector and tensor dynamic polarizabilities will help to achieve higher fidelities for applications of neutral atoms in quantum information and precision measurements.

  15. Dynamic high pressure induced strong and weak hydrogen bonds enhanced by pre-resonance stimulated Raman scattering in liquid water.

    Science.gov (United States)

    Wang, Shenghan; Fang, Wenhui; Li, Fabing; Gong, Nan; Li, Zhanlong; Li, Zuowei; Sun, Chenglin; Men, Zhiwei

    2017-12-11

    355 nm pulsed laser is employed to excite pre-resonance forward stimulated Raman scattering (FSRS) of liquid water at ambient temperature. Due to the shockwave induced dynamic high pressure, the obtained Raman spectra begin to exhibit double peaks distribution at 3318 and 3373 cm -1 with the input energy of 17 mJ,which correspond with OH stretching vibration with strong and weak hydrogen (H) bonds. With laser energy rising from 17 to 27 mJ, the Stokes line at 3318 cm -1 shifts to 3255 and 3230 cm -1 because of the high pressure being enlarged. When the energy is up to 32 mJ, only 3373 cm -1 peak exists. The strong and weak H bond exhibit quite different energy dependent behaviors.

  16. Resonant surface-enhanced Raman scattering by optical phonons in a monolayer of CdSe nanocrystals on Au nanocluster arrays

    Energy Technology Data Exchange (ETDEWEB)

    Milekhin, Alexander G., E-mail: milekhin@isp.nsc.ru [A.V. Rzhanov Institute of Semiconductor Physics, pr. Lavrentjeva, 13, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogov str. 2, 630090 Novosibirsk (Russian Federation); Sveshnikova, Larisa L.; Duda, Tatyana A. [A.V. Rzhanov Institute of Semiconductor Physics, pr. Lavrentjeva, 13, 630090 Novosibirsk (Russian Federation); Rodyakina, Ekaterina E. [A.V. Rzhanov Institute of Semiconductor Physics, pr. Lavrentjeva, 13, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogov str. 2, 630090 Novosibirsk (Russian Federation); Dzhagan, Volodymyr M. [Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Sheremet, Evgeniya [Solid Surfaces Analysis, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Gordan, Ovidiu D. [Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Himcinschi, Cameliu [Institut für Theoretische Physik, TU Bergakademie Freiberg, 09596 Freiberg (Germany); Latyshev, Alexander V. [A.V. Rzhanov Institute of Semiconductor Physics, pr. Lavrentjeva, 13, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogov str. 2, 630090 Novosibirsk (Russian Federation); Zahn, Dietrich R.T. [Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz (Germany)

    2016-05-01

    Highlights: • Regular Au nanocluster and dimer arrays as well as single Au dimers are fabricated. • Resonant SERS by monolayers of CdSe nanocrystals deposited on the Au nanostructures is observed. • LO energy change for CdSe NCs on different single Au dimers indicates SERS by single or a few NCs. - Abstract: Here we present the results on an investigation of resonant Stokes and anti- Stokes surface-enhanced Raman scattering (SERS) by optical phonons in colloidal CdSe nanocrystals (NCs) homogeneously deposited on arrays of Au nanoclusters using the Langmuir–Blodgett technology. The thickness of deposited NCs, determined by transmission and scanning electron microscopy, amounts to approximately 1 monolayer. Special attention is paid to the determination of the localized surface plasmon resonance (LSPR) energy in the arrays of Au nanoclusters as a function of the nanocluster size by means of micro-ellipsometry. SERS by optical phonons in CdSe NCs shows a significant enhancement factor with a maximal value of 2 × 10{sup 3} which depends resonantly on the Au nanocluster size and thus on the LSPR energy. The deposition of CdSe NCs on the arrays of Au nanocluster dimers enabled us to study the polarization dependence of SERS. It was found that a maximal SERS signal is observed for the light polarization along the dimer axis. Finally, SERS by optical phonons was observed for CdSe NCs deposited on the structures with a single Au dimer. A difference of the LO phonon energy is observed for CdSe NCs on different single dimers. This effect is explained as the confinement-induced shift which depends on the CdSe nanocrystal size and indicates quasi-single NC Raman spectra being obtained.

  17. Raman Investigation of Temperature Profiles of Phospholipid Dispersions in the Biochemistry Laboratory

    Science.gov (United States)

    Craig, Norman C.

    2015-06-01

    The temperature dependence of self-assembled, cell-like dispersions of phospholipids is investigated with Raman spectroscopy in the biochemistry laboratory. Vibrational modes in the hydrocarbon interiors of phospholipid bilayers are strongly Raman active, whereas the vibrations of the polar head groups and the water matrix have little Raman activity. From Raman spectra increases in fluidity of the hydrocarbon chains can be monitored with intensity changes as a function of temperature in the CH-stretching region. The experiment uses detection of scattered 1064-nm laser light (Nicolet NXR module) by a Fourier transform infrared spectrometer (Nicolet 6700). A thermoelectric heater-cooler device (Melcor) gives convenient temperature control from 5 to 95°C for samples in melting point capillaries. Use of deuterium oxide instead of water as the matrix avoids some absorption of the exciting laser light and interference with intensity observations in the CH-stretching region. Phospholipids studied range from dimyristoylphosphotidyl choline (C14, transition T = 24°C) to dibehenoylphosphotidyl choline (C22, transition T = 74°C).

  18. Investigation of domain walls in PPLN by confocal raman microscopy and PCA analysis

    Science.gov (United States)

    Shur, Vladimir Ya.; Zelenovskiy, Pavel; Bourson, Patrice

    2017-07-01

    Confocal Raman microscopy (CRM) is a powerful tool for investigation of ferroelectric domains. Mechanical stresses and electric fields existed in the vicinity of neutral and charged domain walls modify frequency, intensity and width of spectral lines [1], thus allowing to visualize micro- and nanodomain structures both at the surface and in the bulk of the crystal [2,3]. Stresses and fields are naturally coupled in ferroelectrics due to inverse piezoelectric effect and hardly can be separated in Raman spectra. PCA is a powerful statistical method for analysis of large data matrix providing a set of orthogonal variables, called principal components (PCs). PCA is widely used for classification of experimental data, for example, in crystallization experiments, for detection of small amounts of components in solid mixtures etc. [4,5]. In Raman spectroscopy PCA was applied for analysis of phase transitions and provided critical pressure with good accuracy [6]. In the present work we for the first time applied Principal Component Analysis (PCA) method for analysis of Raman spectra measured in periodically poled lithium niobate (PPLN). We found that principal components demonstrate different sensitivity to mechanical stresses and electric fields in the vicinity of the domain walls. This allowed us to separately visualize spatial distribution of fields and electric fields at the surface and in the bulk of PPLN.

  19. Raman investigation of GaP–Si interfaces grown by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Bondi, A.; Cornet, C.; Boyer, S.; Nguyen Thanh, T.; Létoublon, A.; Pedesseau, L.; Durand, O. [Université Européenne de Bretagne, INSA, FOTON, UMR CNRS 6082, 20 Avenue des Buttes de Coësmes, F-35708 Rennes (France); Moreac, A. [Institut de Physique de Rennes, UMR-CNRS n°6251, Université Rennes1, Campus de Beaulieu — 35042 Rennes cedex (France); Ponchet, A. [CEMES, UPR CNRS 8011, F-31055 Toulouse (France); Le Corre, A. [Université Européenne de Bretagne, INSA, FOTON, UMR CNRS 6082, 20 Avenue des Buttes de Coësmes, F-35708 Rennes (France); Even, J., E-mail: jacky.even@insa.rennes.fr [Université Européenne de Bretagne, INSA, FOTON, UMR CNRS 6082, 20 Avenue des Buttes de Coësmes, F-35708 Rennes (France)

    2013-08-31

    Raman spectroscopy was used to investigate the residual strain in thin GaP layers deposited on Si substrates by molecular beam epitaxy. Different growth conditions were used to obtain a clean GaP–Si interface, including migration enhanced epitaxy. The strain induced Raman shifts of the longitudinal and the transverse optical GaP lattice modes were analyzed. The effects of crystalline defects are discussed, supported by high resolution transmission electron microscopy and X-ray scattering studies. Finally, Raman Spectroscopy reveals the presence of disorder (or surface)-activated optical phonons. This result is discussed in the light of surface morphology analyses. - Highlights: ► GaP thin layers grown by molecular beam epitaxy on Si substrates. ► Strain-induced Raman shifts of the optical GaP modes are analyzed. ► Simulation of optical GaP modes by density functional perturbation theory. ► Comparison with X-ray diffraction and electron and scanning probe microscopy data.

  20. Investigation by Raman Spectroscopy of the Decomposition Process of HKUST-1 upon Exposure to Air

    Directory of Open Access Journals (Sweden)

    Michela Todaro

    2016-01-01

    Full Text Available We report an experimental investigation by Raman spectroscopy of the decomposition process of Metal-Organic Framework (MOF HKUST-1 upon exposure to air moisture (T=300 K, 70% relative humidity. The data collected here are compared with the indications obtained from a model of the process of decomposition of this material proposed in literature. In agreement with that model, the reported Raman measurements indicate that for exposure times longer than 20 days relevant irreversible processes take place, which are related to the occurrence of the hydrolysis of Cu-O bonds. These processes induce small but detectable variations of the peak positions and intensities of the main Raman bands of the material, which can be related to Cu-Cu, Cu-O, and O-C-O stretching modes. The critical analyses of these changes have permitted us to obtain a more detailed description of the process of decomposition taking place in HKUST-1 upon interaction with moisture. Furthermore, the reported Raman data give further strong support to the recently proposed model of decomposition of HKUST-1, contributing significantly to the development of a complete picture of the properties of this considerable deleterious effect.

  1. Nitric oxide concentration measurements in atmospheric pressure flames using electronic-resonance-enhanced coherent anti-Stokes Raman scattering

    Science.gov (United States)

    Chai, N.; Kulatilaka, W. D.; Naik, S. V.; Laurendeau, N. M.; Lucht, R. P.; Kuehner, J. P.; Roy, S.; Katta, V. R.; Gord, J. R.

    2007-06-01

    We report the application of electronic-resonance-enhanced coherent anti-Stokes Raman scattering (ERE-CARS) for measurements of nitric oxide concentration ([NO]) in three different atmospheric pressure flames. Visible pump (532 nm) and Stokes (591 nm) beams are used to probe the Q-branch of the Raman transition. A significant resonance enhancement is obtained by tuning an ultraviolet probe beam (236 nm) into resonance with specific rotational transitions in the (v’=0, v”=1) vibrational band of the A2Σ+-X2Π electronic system of NO. ERE-CARS spectra are recorded at various heights within a hydrogen-air flame producing relatively low concentrations of NO over a Hencken burner. Good agreement is obtained between NO ERE-CARS measurements and the results of flame computations using UNICORN, a two-dimensional flame code. Excellent agreement between measured and calculated NO spectra is also obtained when using a modified version of the Sandia CARSFT code for heavily sooting acetylene-air flames (φ=0.8 to φ=1.6) on the same Hencken burner. Finally, NO concentration profiles are measured using ERE-CARS in a laminar, counter-flow, non-premixed hydrogen-air flame. Spectral scans are recorded by probing the Q1 (9.5), Q1 (13.5) and Q1 (17.5) Raman transitions. The measured shape of the [NO] profile is in good agreement with that predicted using the OPPDIF code, even without correcting for collisional effects. These comparisons between [NO] measurements and predictions establish the utility of ERE-CARS for detection of NO in flames with large temperature and concentration gradients as well as in sooting environments.

  2. Raman E sub 1 , E sub 1 + DELTA sub 1 resonance in nonstressed quantum dots of germanium

    CERN Document Server

    Talochkin, A B; Efanov, A V; Kozhemyako, I G; Shumskij, V N

    2001-01-01

    The Raman light scattering on the optical phonons in the nonstressed Ge quantum dots, obtained in the GaAs/ZnSe/Ge/ZnSe structures is studied through the molecular-beam epitaxy. The E sub 1 , E sub 1 + DELTA sub 1 resonance energy shift, connected with quantization of the electron and hole states spectrum in the quantum dots is observed. Application of the simplest localization model with an account of the Ge electron states spectrum made it possible to explain the observed peculiarities

  3. Light-Driven Reconfiguration of a Xanthophyll Violaxanthin in the Photosynthetic Pigment-Protein Complex LHCII: A Resonance Raman Study.

    Science.gov (United States)

    Grudzinski, Wojciech; Janik, Ewa; Bednarska, Joanna; Welc, Renata; Zubik, Monika; Sowinski, Karol; Luchowski, Rafal; Gruszecki, Wieslaw I

    2016-05-19

    Resonance Raman analysis of the photosynthetic complex LHCII, immobilized in a polyacrylamide gel, reveals that one of the protein-bound xanthophylls, assigned as violaxanthin, undergoes light-induced molecular reconfiguration. The phototransformation is selectively observed in a trimeric structure of the complex and is associated with a pronounced twisting and a trans-cis molecular configuration change of the polyene chain of the carotenoid. Among several spectral effects accompanying the reconfiguration there are ones indicating a carotenoid triplet state. Possible physiological importance of the light-induced violaxanthin reconfiguration as a mechanism associated with making the pigment available for enzymatic deepoxidation in the xanthophyll cycle is discussed.

  4. Resonant Raman and FTIR spectra of carbon doped GaN

    Science.gov (United States)

    Ito, S.; Kobayashi, H.; Araki, K.; Suzuki, K.; Sawaki, N.; Yamashita, K.; Honda, Y.; Amano, H.

    2015-03-01

    Intentionally carbon (C) doped (0 0 0 1)GaN was grown using C2H2 on a sapphire substrate by metalorganic vapor phase epitaxy. Optical spectra of the heavily doped samples were investigated at room temperature. In Raman spectra excited by the 325 nm line of a He-Cd laser, multiple LO phonon scattering signals up to 7th order were observed, and the A1(LO) phonon energy was determined to be 737.5 cm-1 (91.45 meV). In infrared reflectance spectra, on the other hand, a local vibration mode was found at 777.5 cm-1, which is attributed to a Ga-C bond in the GaN matrix suggesting that the C sits on an N site (CN). In spite of the strong suggestion of CN, the samples did not show p-type conduction. Possible origin of the carrier compensation is discussed in relation to the enhancement of defect related yellow luminescence in the photoluminescence spectra.

  5. Electron spin resonance investigations on polycarbonate irradiated with U ions

    Energy Technology Data Exchange (ETDEWEB)

    Chipara, M.I.; Reyes-Romero, J

    2001-12-01

    Electron spin resonance investigations on polycarbonate irradiated with uranium ions are reported. The dependence of the resonance line parameters (line intensity, line width, double integral) on penetration depth and dose is studied. The nature of free radicals induced in polycarbonate by the incident ions is discussed in relation with the track structure. The presence of severe exchange interactions among free radicals is noticed.

  6. Luminescence and micro-Raman investigations on inclusions of unusual habit in chrysoprase from Turkey

    International Nuclear Information System (INIS)

    Ayvacıklı, M.; Garcia-Guinea, J.; Jorge, A.; Akalın, İ.; Kotan, Z.; Can, N.

    2012-01-01

    Chemical analyses performed on chrysoprase from Turkey have shown many trace elements as well as rare earth impurities. Quantitative chemical analyses of inclusions in minerals can improve our understanding of the chemistry of surface. The environmental scanning electron microscope (ESEM) with an attached X-ray energy dispersive system (EDS) is capable of producing rapid and accurate major element chemical analyses of individual inclusions in crystals larger than about 30 μm in diameter. The samples were examined with lifetime-resolved and spatially-resolved cathodoluminescence (CL), and inductively coupled plasma-atomic emission spectrometry (ICP-AES). Spatially resolved CL results at room temperature were recorded for two different areas. Bulk area displays with low CL emission and pores contain iron phases such as chromite, hematite and anatase which cause the green color. For the raw data in the lifetime resolved CL spectrum, at least three broad emission bands were detected in a yellow band of the highest intensity at about 550 nm, a weaker orange band at about 650 nm, and a red band at 720 nm. It is assumed that there are links between the CL emissions and the presence of some transition metal and REE elements, but it is obvious that all trace elements do not play a direct role. Micro-Raman measurements were performed on chrysoprase and these showed a characteristic intensive Raman band peaked at 464 cm −1 which can be inferred to ν 2 doubly symmetric bending mode of [SiO 4 /M] centers. Raman spectrum of all inclusions found in the material are also given and discussed in detail. - Highlights: ► Luminescence and Raman investigations of Chrysoprase. ► Characteristic intensive Raman band peaked at 464 cm −1 . ► Ironed phases such as chromite, hematite and anatase.

  7. Raman Chandrasekar

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education. Raman Chandrasekar. Articles written in Resonance – Journal of Science Education. Volume 13 Issue 5 May 2008 pp 430-439 General Article. How Children Learn to Use Language - An Overview of R. Narasimhan's Ideas on Child Language Acquisition.

  8. Surface-enhanced Raman scattering (SERS) of riboflavin on nanostructured Ag surfaces: The role of excitation wavelength, plasmon resonance and molecular resonance

    Science.gov (United States)

    Šubr, Martin; Kuzminova, Anna; Kylián, Ondřej; Procházka, Marek

    2018-05-01

    Optimization of surface-enhanced Raman scattering (SERS)-based sensors for (bio)analytical applications has received much attention in recent years. For optimum sensitivity, both the nanostructure fabrication process and the choice of the excitation wavelength used with respect to the specific analyte studied are of crucial importance. In this contribution, detailed SERS intensity profiles were measured using gradient nanostructures with the localized surface-plasmon resonance (LSPR) condition varying across the sample length and using riboflavin as the model biomolecule. Three different excitation wavelengths (633 nm, 515 nm and 488 nm) corresponding to non-resonance, pre-resonance and resonance excitation with respect to the studied molecule, respectively, were tested. Results were interpreted in terms of a superposition of the enhancement provided by the electromagnetic mechanism and intrinsic properties of the SERS probe molecule. The first effect was dictated mainly by the degree of spectral overlap between the LSPR band, the excitation wavelength along with the scattering cross-section of the nanostructures, while the latter was influenced by the position of the molecular resonance with respect to the excitation wavelength. Our experimental findings contribute to a better understanding of the SERS enhancement mechanism.

  9. Next generation in-situ optical Raman sensor for seawater investigations

    Science.gov (United States)

    Kolomijeca, A.; Kwon, Y.-H.; Ahmad, H.; Kronfeldt, H.-D.

    2012-04-01

    We introduce the next generation of optical sensors based on a combination of surfaced enhanced Raman scattering (SERS) and shifted excitation Raman difference spectroscopy (SERDS) suited for investigations of tiny concentrations of pollutions in the seawater. First field measurements were carried out in the Arctic area which is of global interest since it is more affected by global warming caused climatic changes than any other areas of our planet and it is a recipient for many toxic organic pollutants. A significant long-range atmospheric transport of pollutants to Svalbard is mainly originated from industrialized countries in Europe and North America during the last decades. Therefore, the main interest is to investigate the Arctic water column and also the sediments. Standard chemical methods for water/sediment analysis are extremely accurate but complex and time-consuming. The primary objective of our study was to develop a fast response in-situ optical sensor for easy to use and quick analysis. The system comprises several components: a handheld measurement head containing a 671 nm microsystem diode laser and the Raman optical bench, a laser driver electronics board, a custom-designed miniature spectrometer with an optical resolution of 8 cm-1 and a netbook to control the spectrometer as well as for data evaluation. We introduced for the first time the portable Raman sensor system on an Artic sea-trial during a three week cruise on board of the James Clark Ross research vessel in August 2011. Numerous Raman and SERS measurements followed by SERDS evaluations were taken around locations 78° N and 9° E. Different SERS substrates developed for SERS measurements in sea-water were tested for their capability to detect different substances (PAHs) in the water down to very small (nmol/l) concentrations. Stability tests of the substrates were carried out also for the applicability of our system e.g. on a mooring. Details of the in-situ Raman sensor were presented

  10. Raman scattering investigation of the water-bridge phenomenon: Some preliminary results

    Directory of Open Access Journals (Sweden)

    Francesco Aliotta

    2010-09-01

    Full Text Available A floating water-bridge is formed if a high-voltage direct current is applied between two beakers filled of chemically pure water. Raman spectra of the OH-stretching region have been obtained at ambient condition of temperature and pressure. These preliminary results seem to indicate that the hydrogen-bond structure is only slightly modified by the presence of the electric field applied to form the floating water-bridge in agreement with recent neutron scattering investigation. In fact, the polarized Raman spectrum of the pure water and of the water-bridge is almost superimposable. We are planning to carry out further spectroscopic analysis, at different thermodynamic conditions, for better understanding the role played by the hydrogen-bond in driving the formation of the floating water-bridge.

  11. Resonance Raman spectroscopy of 2H-labelled spheroidenes in petroleum ether and in the Rhodobacter sphaeroides reaction centre.

    Science.gov (United States)

    Kok, P; Köhler, J; Groenen, E J; Gebhard, R; van der Hoef, I; Lugtenburg, J; Farhoosh, R; Frank, H A

    1997-03-01

    As a step towards the structural analysis of the carotenoid spheroidene in the Rhodobacter sphaeroides reaction centre, we present the resonance Raman spectra of 14-2H, 15-2H, 15'-2H, 14'-2H, 14,15'-2H2 and 15-15'-2H2 spheroidenes in petroleum ether and, except for 14,15'-2H2 spheroidene, in the Rb. sphaeroides R26 reaction center (RC). Analysis of the spectral changes upon isotopic substitution allows a qualitative assignment of most of the vibrational bands to be made. For the all-trans spheroidenes in solution the resonance enhancement of the Raman bands is determined by the participation of carbon carbon stretching modes in the centre of the conjugated chain, the C9 to C15' region. For the RC-bound 15,15'-cis spheroidenes, enhancement is determined by the participation of carbon-carbon stretching modes in the centre of the molecule, the C13 to C13' region. Comparison of the spectra in solution and in the RC reveals evidence for an out-of-plane distortion of the RC-bound spheroidene in the central C14 to C14' region of the carotenoid. The characteristic 1240 cm-1 band in the spectrum of the RC-bound spheroidene has been assigned to a normal mode that contains the coupled C12-C13 and C13'-C12' stretch vibrations.

  12. The electron–phonon coupling of fundamental, overtone, and combination modes and its effects on the resonance Raman spectra

    Energy Technology Data Exchange (ETDEWEB)

    Li, Shuo [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); College of Physics, Jilin University, Changchun 130012 (China); Li, Zhanlong; Wang, Shenghan; Gao, Shuqin [College of Physics, Jilin University, Changchun 130012 (China); Sun, Chenglin, E-mail: chenglin@jlu.edu.cn [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); College of Physics, Jilin University, Changchun 130012 (China); Li, Zuowei [College of Physics, Jilin University, Changchun 130012 (China)

    2015-12-15

    Highlights: • The Huang–Rhys factors and electron–phonon coupling constants are calculated. • The changes of overtone mode are larger than those of fundamental mode. • The variation pattern of electron–phonon coupling well interprets the changes of spectra. - Abstract: External field plays a very important role in the interaction between the π-electron transition and atomic vibration of polyenes. It has significant effects on both the Huang–Rhys factor and the electron–phonon coupling. In this paper, the visible absorption and resonance Raman spectra of all-trans-β-carotene are measured in the 345–295 K temperature range and it is found that the changes of the 0–1 and 0–2 vibration bands of the absorption spectra with the temperature lead to the different electron–phonon coupling of fundamental, overtone, and combination modes. The electron-phonon coupling constants of all the modes are calculated and analyzed under different temperatures. The variation law of the electron–phonon coupling with the temperature well interprets the changes of the resonance Raman spectra, such as the shift, intensity and line width of the overtone and combination modes, which are all greater than those of the fundamental modes.

  13. 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

  14. Detection of aniline oligomers on polyaniline-gold interface using resonance Raman scattering

    Czech Academy of Sciences Publication Activity Database

    Trchová, Miroslava; Morávková, Zuzana; Dybal, Jiří; Stejskal, Jaroslav

    2014-01-01

    Roč. 6, č. 2 (2014), s. 942-950 ISSN 1944-8244 R&D Projects: GA ČR GAP205/12/0911; GA ČR(CZ) GA13-00270S Institutional support: RVO:61389013 Keywords : polyaniline * aniline oligomers * Raman spectroscopy Subject RIV: CD - Macromolecular Chemistry Impact factor: 6.723, year: 2014

  15. Silver Nanoparticle-Enhanced Resonance Raman Sensor of Chromium(III) in Seawater Samples.

    Science.gov (United States)

    Ly, Nguyễn Hoàng; Joo, Sang-Woo

    2015-04-29

    Tris(hydroxymethyl)aminomethane ethylenediaminetetraacetic acid (Tris-EDTA), upon binding Cr(III) in aqueous solutions at pH 8.0 on silver nanoparticles (AgNPs), was found to provide a sensitive and selective Raman marker band at ~563 cm-1, which can be ascribed to the metal-N band. UV-Vis absorption spectra also supported the aggregation and structural change of EDTA upon binding Cr(III). Only for Cr(III) concentrations above 500 nM, the band at ~563 cm-1 become strongly intensified in the surface-enhanced Raman scattering spectra. This band, due to the metal-EDTA complex, was not observed in the case of 50 mM of K+, Cd2+, Mg2+, Ca2+, Mn2+, Co2+, Na+, Cu2+, NH4+, Hg2+, Ni2+, Fe3+, Pb2+, Fe2+, and Zn2+ ions. Seawater samples containing K, Mg, Ca, and Na ion concentrations higher than 8 mM also showed the characteristic Raman band at ~563 cm-1 above 500 nM, validating our method. Our approach may be useful in detecting real water samples by means of AgNPs and Raman spectroscopy.

  16. Ion implantation effects in single crystal Si investigated by Raman spectroscopy

    International Nuclear Information System (INIS)

    Harriman, T.A.; Lucca, D.A.; Lee, J.-K.; Klopfstein, M.J.; Herrmann, K.; Nastasi, M.

    2009-01-01

    A study of the effects of Ar ion implantation on the structural transformation of single crystal Si investigated by confocal Raman spectroscopy is presented. Implantation was performed at 77 K using 150 keV Ar ++ with fluences ranging from 2 x 10 13 to 1 x 10 15 ions/cm 2 . The Raman spectra showed a progression from crystalline to highly disordered structure with increasing fluence. The 520 cm -1 c-Si peak was seen to decrease in intensity, broaden and exhibit spectral shifts indicating an increase in lattice disorder and changes in the residual stress state. In addition, an amorphous Si band first appeared as a shoulder on the 520 cm -1 peak and then shifted to lower wavenumbers as a single broadband peak with a spectral center of 465 cm -1 . Additionally, the emergence of the a-Si TA phonon band and the decrease of the c-Si 2TA and 2TO phonon bands also indicated the same structural transition from crystalline to highly disordered. The Raman results were compared to those obtained by channeling RBS.

  17. Investigation of the interaction between magnetic nanoparticles surface-coated with carboxymethyldextran and blood cells using Raman spectroscopy

    International Nuclear Information System (INIS)

    Santana, J.F.B.; Soler, M.A.G.; Silva, S.W. da; Guedes, M.H.; Lacava, Z.G.M.; Azevedo, R.B.; Morais, P.C.

    2005-01-01

    This study reports on in vitro biological tests performed with a biocompatible magnetic fluid based on carboxymethyldextran-coated magnetite nanoparticles (CMDM). Micro Raman spectroscopy was used to investigate the effect of dispersing (CMDM) nanoparticles in mice blood. We focused our investigation in the use of the Raman spectroscopy for monitoring the hemoglobin structural changes, which may be associated with the oxygen-binding process

  18. Multiphonon resonant Raman scattering in the semimagnetic semiconductor Cd1-xMnxTe: Froehlich and deformation potential exciton-phonon interaction

    International Nuclear Information System (INIS)

    Riera, R; Rosas, R; Marin, J L; Bergues, J M; Campoy, G

    2003-01-01

    A theory describing multiphonon resonant Raman scattering (MPRRS) processes in wide-gap diluted magnetic semiconductors is presented, with Cd 1-x Mn x Te as an example. The incident radiation frequency ω l is taken above the fundamental absorption region. The photoexcited electron and hole make real transitions through the LO phonon, when one considers Froehlich (F) and deformation potential (DP) interactions. The strong exchange interaction, typical of these materials, leads to a large spin splitting of the exciton states in the magnetic field. Neglecting Landau quantization, this Zeeman splitting gives rise to the formation of eight bands (two conduction and six valence ones) and ten different exciton states according to the polarization of the incident light. Explicit expressions for the MPRRS intensity of second and third order, the indirect creation and annihilation probabilities, the exciton lifetime, and the probabilities of transition between different exciton states and different types of exciton as a function of ω l and the external magnetic field are presented. The selection rules for all hot exciton transitions via exciton-photon interaction and F and DP exciton-phonon interactions are investigated. The exciton energies, as a function of B, the Mn concentration x, and the temperature T, are compared to a theoretical expression. Graphics for creation and annihilation probabilities, lifetime, and Raman intensity of second and third order are discussed

  19. Magnetic resonance investigation of magnetic-labeled baker's yeast cells

    International Nuclear Information System (INIS)

    Godoy Morais, J.P.M.; Azevedo, R.B.; Silva, L.P.; Lacava, Z.G.M.; Bao, S.N.; Silva, O.; Pelegrini, F.; Gansau, C.; Buske, N.; Safarik, I.; Safarikova, M.; Morais, P.C.

    2004-01-01

    In this study, the interaction of DMSA-coated magnetite nanoparticles (5 and 10 nm core-size) with Saccharomyces cerevisae was investigated using magnetic resonance (MR) and transmission electron microscopy (TEM). The TEM micrographs revealed magnetite nanoparticles attached externally to the cell wall. The MR data support the strong interaction among the nanoparticles supported by the cells. A remarkable shift in the resonance field was used as signature of particle attachment to the cell wall

  20. Shifting of infrared radiation using rotational raman resonances in diatomic molecular gases

    Science.gov (United States)

    Kurnit, Norman A.

    1980-01-01

    A device for shifting the frequency of infrared radiation from a CO.sub.2 laser by stimulated Raman scattering in either H.sub.2 or D.sub.2. The device of the preferred embodiment comprises an H.sub.2 Raman laser having dichroic mirrors which are reflective for 16 .mu.m radiation and transmittive for 10 .mu.m, disposed at opposite ends of an interaction cell. The interaction cell contains a diatomic molecular gas, e.g., H.sub.2, D.sub.2, T.sub.2, HD, HT, DT and a capillary waveguide disposed within the cell. A liquid nitrogen jacket is provided around the capillary waveguide for the purpose of cooling. In another embodiment the input CO.sub.2 radiation is circularly polarized using a Fresnel rhomb .lambda./4 plate and applied to an interaction cell of much longer length for single pass operation.

  1. Investigation of various factors influencing Raman spectra interpretation with the use of likelihood ratio approach.

    Science.gov (United States)

    Michalska, Aleksandra; Martyna, Agnieszka; Zadora, Grzegorz

    2018-01-01

    The main aim of this study was to verify whether selected analytical parameters may affect solving the comparison problem of Raman spectra with the use of the likelihood ratio (LR) approach. Firstly the LR methodologies developed for Raman spectra of blue automotive paints obtained with the use of 785nm laser source (results published by the authors previously) were implemented for good quality spectra recorded for these paints with the use of 514.5nm laser source. For LR models construction two types of variables were used i.e. areas under selected pigments bands and coefficients derived from discrete wavelet transform procedure (DWT). Few experiments were designed for 785nm and 514.5nm Raman spectra databases after constructing well performing LR models (low rates of false positive and false negative answers and acceptable results of empirical cross entropy approach). In order to verify whether objective magnification described by its numerical aperture affects spectra interpretation, three objective magnifications -20×(N.A.=0.4.), 50×(N.A.=0.75) and 100×(N.A.=0.85) within each of the applied laser sources (514.5nm and 785nm) were tested for a group of blue solid and metallic automotive paints having the same sets of pigments depending on the applied laser source. The findings obtained by two types of LR models indicate the importance of this parameter for solving the comparison problem of both solid and metallic automotive paints regardless of the laser source used for measuring Raman signal. Hence, the same objective magnification, preferably 50× (established based on the analysis of within- and between-samples variability and F-factor value), should be used when focusing the laser on samples during Raman measurements. Then the influence of parameters (laser power and time of irradiation) of one of the recommended fluorescence suppression techniques, namely photobleaching, was under investigation. Analysis performed on a group of solid automotive paint

  2. Raman spectroscopy used for structural investigations of anodically formed ZrO2

    International Nuclear Information System (INIS)

    Koneska, Zagorka; Arsova, Irena

    2003-01-01

    The structure of the oxide formed on Zr(99% + Hf) with anodic oxidation at different potentials in 1 mol/dm 3 H 3 PO 4 and 2 mol/dm 3 KOH solutions were investigated using Raman spectroscopy. Normally the anodic oxides of Zr form only crystals. Under certain circumstances, amorphous anodic ZrO 2 can be observed. Amorphous phase is observed for the anodically formed zirconium oxides in H 3 PO 4 . The oxide formed in KOH at potential of 80 V, where sparks appears on the Zr electrode showed crystalline structure. (Original)

  3. The double-resonance enhancement of stimulated low-frequency Raman scattering in silver-capped nanodiamonds

    Science.gov (United States)

    Baranov, A. N.; Butsen, A. V.; Ionin, A. A.; Ivanova, A. K.; Kuchmizhak, A. A.; Kudryashov, S. I.; Kudryavtseva, A. D.; Levchenko, A. O.; Rudenko, A. A.; Saraeva, I. N.; Strokov, M. A.; Tcherniega, N. V.; Zayarny, D. A.

    2017-09-01

    Hybrid plasmonic-dielectric nano- and (sub)microparticles exhibit magnetic and electrical dipolar Mie-resonances, which makes them useful as efficient basic elements in surface-enhanced spectroscopy, non-linear light conversion and nanoscale light control. We report the stimulated low-frequency Raman scattering (SLFRS) of a nanosecond ruby laser radiation (central wavelength λ = 694.3 nm (full-width at half-maximum ≈ 0.015 cm-1), gaussian 1/e-intensity pulsewidth τ ≈ 20 ns, TEM00-mode pulse energy Emax ≈ 0.3 J) in nanodiamond (R ≈ 120 nm) hydrosols, induced via optomechanical coherent excitation of fundamental breathing eigen-modes, and the two-fold enhancement of SLFRS in Ag-decorated nanodiamonds, characterized by hybrid dipolar resonances of electrical (silver) and magnetic (diamond) nature. Hybrid metal-dielectric particles were prepared by means of nanosecond IR-laser ablation of solid silver target in diamond hydrosols with consecutive Ag-capping of diamonds, and were characterized by scanning electron microscopy, UV-vis, photoluminescence and energy-dispersive X-ray spectroscopy. Intensities of the SLFR-scattered components and their size-dependent spectral shifts were measured in the highly sensitive stimulated scattering regime, indicating the high (≈ 30%) SLFRS conversion efficiency and the resonant character of the scattering species.

  4. Rapid analysis of malachite green and leucomalachite green in fish muscles with surface-enhanced resonance Raman scattering.

    Science.gov (United States)

    Zhang, Yuanyuan; Yu, Wansong; Pei, Lu; Lai, Keqiang; Rasco, Barbara A; Huang, Yiqun

    2015-02-15

    Surface-enhanced resonance Raman scattering (SERRS) coupled with gold nanospheres was applied for rapid analysis of the hazardous substances malachite green (MG) and leucomalachite green (LMG) in fish muscle tissues. The lowest concentration of MG that could be detected was 0.5ngmL(-1) with high linear correlation (R(2)=0.970-0.998) between MG concentration and intensities of characteristic Raman peaks. A simplified sample preparation method taking less than 1h for recovering MG and LMG in fish fillets was developed for SERRS analysis, and 4-8 samples could be handled in parallel. MG and LMG could be detected in extracts of tilapia fish fillets at as low as 2ngg(-1) with SERRS and a simple principle component analysis method. For six other fish species, the lowest detectable concentration of MG ranged from 1ngg(-1) to 10ngg(-1). This study provides a new sensitive approach for the detection of trace amounts of the prohibited drugs MG and LMG in muscle food, which has the potential for rapidly screening a large number of samples. Copyright © 2014 Elsevier Ltd. All rights reserved.

  5. Resonance Raman and excitation energy dependent charge transfer mechanism in halide-substituted hybrid perovskite solar cells.

    Science.gov (United States)

    Park, Byung-wook; Jain, Sagar M; Zhang, Xiaoliang; Hagfeldt, Anders; Boschloo, Gerrit; Edvinsson, Tomas

    2015-02-24

    Organo-metal halide perovskites (OMHPs) are materials with attractive properties for optoelectronics. They made a recent introduction in the photovoltaics world by methylammonium (MA) lead triiodide and show remarkably improved charge separation capabilities when chloride and bromide are added. Here we show how halide substitution in OMHPs with the nominal composition CH3NH3PbI2X, where X is I, Br, or Cl, influences the morphology, charge quantum yield, and local interaction with the organic MA cation. X-ray diffraction and photoluminescence data demonstrate that halide substitution affects the local structure in the OMHPs with separate MAPbI3 and MAPbCl3 phases. Raman spectroscopies as well as theoretical vibration calculations reveal that this at the same time delocalizes the charge to the MA cation, which can liberate the vibrational movement of the MA cation, leading to a more adaptive organic phase. The resonance Raman effect together with quantum chemical calculations is utilized to analyze the change in charge transfer mechanism upon electronic excitation and gives important clues for the mechanism of the much improved photovoltage and photocurrent also seen in the solar cell performance for the materials when chloride compounds are included in the preparation.

  6. Raman spectroscopy of white wines.

    Science.gov (United States)

    Martin, Coralie; Bruneel, Jean-Luc; Guyon, François; Médina, Bernard; Jourdes, Michael; Teissedre, Pierre-Louis; Guillaume, François

    2015-08-15

    The feasibility of exploiting Raman scattering to analyze white wines has been investigated using 3 different wavelengths of the incoming laser radiation in the near-UV (325 nm), visible (532 nm) and near infrared (785 nm). To help in the interpretation of the Raman spectra, the absorption properties in the UV-visible range of two wine samples as well as their laser induced fluorescence have also been investigated. Thanks to the strong intensity enhancement of the Raman scattered light due to electronic resonance with 325 nm laser excitation, hydroxycinnamic acids may be detected and analyzed selectively. Fructose and glucose may also be easily detected below ca. 1000 cm(-1). This feasibility study demonstrates the potential of the Raman spectroscopic technique for the analysis of white wines. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. Fibrillation mechanism of a model intrinsically disordered protein revealed by 2D correlation deep UV resonance Raman spectroscopy.

    Science.gov (United States)

    Sikirzhytski, Vitali; Topilina, Natalya I; Takor, Gaius A; Higashiya, Seiichiro; Welch, John T; Uversky, Vladimir N; Lednev, Igor K

    2012-05-14

    Understanding of numerous biological functions of intrinsically disordered proteins (IDPs) is of significant interest to modern life science research. A large variety of serious debilitating diseases are associated with the malfunction of IDPs including neurodegenerative disorders and systemic amyloidosis. Here we report on the molecular mechanism of amyloid fibrillation of a model IDP (YE8) using 2D correlation deep UV resonance Raman spectroscopy. YE8 is a genetically engineered polypeptide, which is completely unordered at neutral pH yet exhibits all properties of a fibrillogenic protein at low pH. The very first step of the fibrillation process involves structural rearrangements of YE8 at the global structure level without the detectable appearance of secondary structural elements. The formation of β-sheet species follows the global structural changes and proceeds via the simultaneous formation of turns and β-strands. The kinetic mechanism revealed is an important new contribution to understanding of the general fibrillation mechanism proposed for IDP.

  8. Empirical Equation Based Chirality (n, m Assignment of Semiconducting Single Wall Carbon Nanotubes from Resonant Raman Scattering Data

    Directory of Open Access Journals (Sweden)

    Md Shamsul Arefin

    2012-12-01

    Full Text Available This work presents a technique for the chirality (n, m assignment of semiconducting single wall carbon nanotubes by solving a set of empirical equations of the tight binding model parameters. The empirical equations of the nearest neighbor hopping parameters, relating the term (2n, m with the first and second optical transition energies of the semiconducting single wall carbon nanotubes, are also proposed. They provide almost the same level of accuracy for lower and higher diameter nanotubes. An algorithm is presented to determine the chiral index (n, m of any unknown semiconducting tube by solving these empirical equations using values of radial breathing mode frequency and the first or second optical transition energy from resonant Raman spectroscopy. In this paper, the chirality of 55 semiconducting nanotubes is assigned using the first and second optical transition energies. Unlike the existing methods of chirality assignment, this technique does not require graphical comparison or pattern recognition between existing experimental and theoretical Kataura plot.

  9. Empirical Equation Based Chirality (n, m) Assignment of Semiconducting Single Wall Carbon Nanotubes from Resonant Raman Scattering Data

    Science.gov (United States)

    Arefin, Md Shamsul

    2012-01-01

    This work presents a technique for the chirality (n, m) assignment of semiconducting single wall carbon nanotubes by solving a set of empirical equations of the tight binding model parameters. The empirical equations of the nearest neighbor hopping parameters, relating the term (2n− m) with the first and second optical transition energies of the semiconducting single wall carbon nanotubes, are also proposed. They provide almost the same level of accuracy for lower and higher diameter nanotubes. An algorithm is presented to determine the chiral index (n, m) of any unknown semiconducting tube by solving these empirical equations using values of radial breathing mode frequency and the first or second optical transition energy from resonant Raman spectroscopy. In this paper, the chirality of 55 semiconducting nanotubes is assigned using the first and second optical transition energies. Unlike the existing methods of chirality assignment, this technique does not require graphical comparison or pattern recognition between existing experimental and theoretical Kataura plot. PMID:28348319

  10. Redox reactions of cytochrome c in isolated mitochondria exposed to blue or red lasers using resonance Raman spectroscopy

    Science.gov (United States)

    Denton, Michael L.; Gonzalez, Cherry C.; Noojin, Gary D.; Yakovlev, Vladislav V.

    2018-02-01

    Resonance Raman spectroscopy of cytochrome c was used to follow reduction/oxidation (redox) states of isolated mitochondria in response to blue or red laser exposure. Mitochondria were isolated from hTERT-RPE1 cells and were kept in a buffer formulation known to be conducive to electron transport chain (ETC) activity. Using either pyruvate or succinate as substrates for ETC, we found differences in the redox responses of cytochrome c for different exposure laser irradiance and excitation wavelength. We anticipate that the proposed new method will be valuable in the study of metabolic processes in mitochondria in response to low level laser exposure, and thus aid in elucidating the mechanism(s) of photobiomodulation.

  11. Raman and photoelectron spectroscopic investigation of high-purity niobium materials: Oxides, hydrides, and hydrocarbons

    Science.gov (United States)

    Singh, Nageshwar; Deo, M. N.; Nand, Mangla; Jha, S. N.; Roy, S. B.

    2016-09-01

    We present investigations of the presence of oxides, hydrides, and hydrocarbons in high-purity (residual resistivity ratio, ˜300) niobium (Nb) materials used in fabrication of superconducting radio frequency (SRF) cavities for particle accelerators. Raman spectroscopy of Nb materials (as-received from the vendor as well as after surface chemical- and thermal processing) revealed numerous peaks, which evidently show the presence of oxides (550 cm-1), hydrides (1277 and 1385 cm-1: ˜80 K temperature), and groups of hydrocarbons (1096, 2330, 2710, 2830, 2868, and 3080 cm-1). The present work provides direct spectroscopic evidence of hydrides in the electropolished Nb materials typically used in SRF cavities. Raman spectroscopy thus can provide vital information about the near-surface chemical species in niobium materials and will help in identifying the cause for the performance degradation of SRF cavities. Furthermore, photoelectron spectroscopy was performed on the Nb samples to complement the Raman spectroscopy study. This study reveals the presence of C and O in the Nb samples. Core level spectra of Nb (doublet 3d5/2 and 3d3/2) show peaks near 206.6 and 209.4 eV, which can be attributed to the Nb5+ oxidation state. The core level spectra of C 1 s of the samples are dominated by graphitic carbon (binding energy, 284.6 eV), while the spectra of O 1 s are asymmetrically peaked near binding energy of ˜529 eV, and that indicates the presence of metal-oxide Nb2O5. The valence-band spectra of the Nb samples are dominated by a broad peak similar to O 2p states, but after sputtering (for 10 min) a peak appears at ˜1 eV, which is a feature of the elemental Nb atom.

  12. Alcohol-catalyzed photoreduction of iron-porphyrin complexes revealed by resonance raman and absorption spectroscopies

    Science.gov (United States)

    Ogura, T.; Fidler, V.; Ozaki, Y.; Kitagawa, T.

    1990-06-01

    Photoreduction of Fe III(OEP) (2-MeIm) (OEP is octaethylporphyrin; 2-MeIm is 2-methylimidazole) was found to be catalyzed by a trace amount of MeOH present in Ch 2Cl 2 as a stabilizer. The absence of either 2-MeIm or MeOH in the CH 2Cl 2 solution of Fe III(OEP) X (X is Cl -, Br - or I -) leads to no photoreduction. The presence of MeOH in the Fe III(OEP) (2-MeIm) solution results in the appearance of a new absorption band at 585 nm, and when Raman scattering was excited at 590 nm, a new Raman band appeared at 524 cm -. This band exhibited an upshift by 4 cm - with 54Fe(OEP) (2-MeIm)(CH 3OH) and a downshift by 12 cm -1 with 56Fe(OEP)(2-MeIm) (CD 3OD) and was therefore assigned to the Fe III-MeOH stretching vibration. The excitation profile of this band gave a peak around 585 nm and accordingly, the new absorption band at 584 nm was assigned to a charge-transfer (CT) band from MeOH to the Fe III ion. It was most unexpected that the photoreduction did not occur upon laser illumination within the CT band.

  13. 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

  14. Low- and high-frequency Raman investigations on caffeine: polymorphism, disorder and phase transformation.

    Science.gov (United States)

    Hédoux, Alain; Decroix, Anne-Amandine; Guinet, Yannick; Paccou, Laurent; Derollez, Patrick; Descamps, Marc

    2011-05-19

    Raman investigations are carried out both in crystalline forms of caffeine and during the isothermal transformation of the orientationally disordered form I into the stable form II at 363 K. The time dependence of the Raman spectrum exhibits no significant change in the intramolecular regime (above 100 cm(-1)), resembling the spectrum of the liquid state. By contrast, significant changes are observed below 100 cm(-1), and the low-frequency spectra of forms I and II are observed to be different from that of the liquid. The temperature dependence of the 5-600 cm(-1) spectrum gives information on the static disorder through the analysis of collective motions, while information on dynamic disorder are obtained from the study of the 555 cm(-1) band corresponding to internal vibrations in the pyrimidine ring. This analysis indubitably reveals that form II is also orientationally disordered with a local molecular arrangement that mimics that in form I and the liquid state. The comparison of the low-frequency spectra recorded in theophylline and form II of caffeine allows one to describe the stable form of caffeine from the packing arrangement of anhydrous theophylline with the consideration of reorientational molecular disorder. © 2011 American Chemical Society

  15. Investigations on perturbations of microwave dielectric resonator thermometer

    International Nuclear Information System (INIS)

    Yu, Lili; Zhang, Guangming; Fernicola, V; Lu, Jinchuan

    2017-01-01

    Investigations of antenna probe length, antenna-dielectric distance, cavity filling and humidity on microwave resonator thermometer with respect to Q , spurious mode depression, coupling strength, accuracy, shock resistance or sensitivity were carried out in order to improve the dielectric resonator thermometer performance. Significant improvement of Q and depression of spurious mode coupling were obtained when the antenna length was reduced. It also turns out that the Q and spurious mode coupling strength vary with the distance between dielectric and antenna pin, as well under appropriate antenna length. Filling the cavity with nitrogen increases coupling strength but decrease frequency-temperature sensitivity compared to a vacuum-pumped cavity. Besides, preliminary results on the microwave resonator sensitivity to air humidity were obtained. (technical note)

  16. Experimental Investigation of 2:1 and 3:1 Internal Resonances in Nonlinear MEMS Arch Resonators

    KAUST Repository

    Ramini, Abdallah

    2016-12-05

    We demonstrate experimentally internal resonances in MEMS resonators. The investigation is conducted on in-plane MEMS arch resonators fabricated with a highly doped silicon. The resonators are actuated electrostatically and their stiffness are tuned by electrothermal loading by passing an electrical current though the microstructures. We show that through this tuning, the ratio of the various resonance frequencies can be varied and set at certain ratios. Particularly, we adjust the resonance frequencies of two different vibrational modes to 2:1 and 3:1. Finally, we validate the internal resonances at these ratios through frequency-response curves and FFTs.

  17. Experimental Investigation of 2:1 and 3:1 Internal Resonances in Nonlinear MEMS Arch Resonators

    KAUST Repository

    Ramini, Abdallah; Hajjaj, Amal Z.; Younis, Mohammad I.

    2016-01-01

    We demonstrate experimentally internal resonances in MEMS resonators. The investigation is conducted on in-plane MEMS arch resonators fabricated with a highly doped silicon. The resonators are actuated electrostatically and their stiffness are tuned by electrothermal loading by passing an electrical current though the microstructures. We show that through this tuning, the ratio of the various resonance frequencies can be varied and set at certain ratios. Particularly, we adjust the resonance frequencies of two different vibrational modes to 2:1 and 3:1. Finally, we validate the internal resonances at these ratios through frequency-response curves and FFTs.

  18. Resonance investigation of pump-turbine during startup process

    International Nuclear Information System (INIS)

    He, L Y; Wang, Z W; Kurosawa, S; Nakahara, Y

    2014-01-01

    The causes of resonance of a certain model pump-turbine unit during startup process were investigated in this article. A three-dimensional full flow path analysis model which contains spiral case, stay vanes, guide vanes, runner, gaps outside the runner crown and band, and draft tube was constructed. The transient hydraulic excitation force of full flow path was analyzed under five conditions near the resonance region. Based on one-way fluid- structure interaction (FSI) analysis model, the dynamic stress characteristics of the pump-turbine runner was investigated. The results of pressure pulsation, vibration mode and dynamic stress obtained from simulation were consistent with the test results. The study indicated that the hydraulic excitation frequency (Z g *f n ) Hz due to rotor-stator interference corresponding to the natural frequency of 2ND+4ND runner mode is the main cause of resonance. The relationship among pressure pulsation, vibration mode and dynamic stress was discussed in this paper. The results revealed the underlying causes of the resonance phenomenon

  19. Microscopic description of protein thermostabilization mechanisms with disaccharides from Raman spectroscopy investigations

    Energy Technology Data Exchange (ETDEWEB)

    Hedoux, A; Affouard, F; Descamps, M; Guinet, Y; Paccou, L [Laboratoire de Dynamique et Structure des Materiaux Moleculaires UMR CNRS 8024, Universite de Lille 1, UFR de Physique, Batiment P5, 59 655 Villeneuve d' Ascq Cedex (France)

    2007-05-23

    The mechanisms of protein thermostabilization by sugar were analysed for three disaccharides (maltose, sucrose and trehalose) characterized by the same chemical formula (C{sub 12}H{sub 22}O{sub 11}). Raman scattering investigations simultaneously carried out in the low-frequency range and in the amide I band region provide a microscopic description of the process of protein thermal denaturation. From this detailed description, the influence of sugar on this process was analysed. The principal effect of sugars is to stabilize the tertiary structure, in which the biomolecule preserves its native conformation, through a strengthening of O-H interactions. This study shows that the bioprotective properties of sugars are mainly based on interactions between water and sugar. The exceptional properties of trehalose to preserve the native state of lysozyme by heating can be associated with its capability to distort the tetra-bonded hydrogen bond network of water.

  20. Raman spectroscopic investigations of swift heavy ion irradiation effects in single-walled carbon nanotubes

    International Nuclear Information System (INIS)

    Olejniczak, A.; Skuratov, V.A.; Lukaszewicz, J.P.

    2013-01-01

    In this study, we report the results on swift heavy ion irradiation effects in single-walled carbon nanotubes (SWNTs). Buckypapers, prepared of CVD grown, SWNTs were irradiated at room temperature with 167 MeV Xe ions to fluences in the range of 6×10 11 - 6.5×10 13 cm -2 and investigated using Raman spectroscopy. We observed a rich set of features in the intermediate frequency mode region. Some of them, being defect-induced, resembled fairly well the phonon density of states (DOS) of nanocrystalline glassy carbon. Analysis of the RBM modes has shown that the broader metallic tubes are characterized by higher radiation stability than thinner semiconducting ones. (authors)

  1. Investigating hadronic resonances in pp interactions with HADES

    Directory of Open Access Journals (Sweden)

    Przygoda Witold

    2015-01-01

    Full Text Available In this paper we report on the investigation of baryonic resonance production in proton-proton collisions at the kinetic energies of 1.25 GeV and 3.5 GeV, based on data measured with HADES. Exclusive channels npπ+ and ppπ0 as well as ppe+e− were studied simultaneously in the framework of a one-boson exchange model. The resonance cross sections were determined from the one-pion channels for Δ(1232 and N(1440 (1.25 GeV as well as further Δ and N* resonances up to 2 GeV/c2 for the 3.5 GeV data. The data at 1.25 GeV energy were also analysed within the framework of the partial wave analysis together with the set of several other measurements at lower energies. The obtained solutions provided the evolution of resonance production with the beam energy, showing a sizeable non-resonant contribution but with still dominating contribution of Δ(1232P33. In the case of 3.5 GeV data, the study of the ppe+e− channel gave the insight on the Dalitz decays of the baryon resonances and, in particular, on the electromagnetic transition form-factors in the time-like region. We show that the assumption of a constant electromagnetic transition form-factors leads to underestimation of the yield in the dielectron invariant mass spectrum below the vector mesons pole. On the other hand, a comparison with various transport models shows the important role of intermediate ρ production, though with a large model dependency. The exclusive channels analysis done by the HADES collaboration provides new stringent restrictions on the parameterizations used in the models.

  2. Raman scattering investigation of Bi2Te3 hexagonal nanoplates prepared by a solvothermal process in the absence of NaOH

    International Nuclear Information System (INIS)

    Liang Yujie; Wang Wenzhong; Zeng Baoqing; Zhang Guling; Huang Jing; Li Jin; Li Te; Song Yangyang; Zhang Xiuyu

    2011-01-01

    Research highlights: → Hexagonal Bi 2 Te 3 thin nanoplates were synthesized by a simple solvothermal method. → Optical properties of the nanoplates were investigated by micro-Raman spectroscopy. → Infrared (IR) active mode (A 1u ) is greatly activated in Raman scattering spectrum. → Infrared (IR) active mode (A 1u ) shows up in Raman spectrum of hexagonal nanoplates. → Raman spectrum clearly shows crystal symmetry breaking of hexagonal nanoplates. - Abstract: Hexagonal Bi 2 Te 3 nanoplates were synthesized by a simple solvothermal process in the absence of NaOH. The composition, morphology and size of the as-prepared products were characterized by powder X-ray diffraction (XRD) and transmission electron microscopy (TEM). Raman scattering optical properties of the as-prepared Bi 2 Te 3 nanoplates were investigated by micro-Raman spectroscopy. The Raman spectrum shows that infrared (IR) active mode (A 1u ), which must be odd parity and is Raman forbidden for bulk crystal due to its inversion symmetry, is greatly activated and shown up clearly in Raman scattering spectrum. We attribute the appearance of infrared active (A 1u ) in Raman spectrum to crystal symmetry breaking of Bi 2 Te 3 hexagonal nanoplates. The as-grown Bi 2 Te 3 hexagonal nanoplates, exhibiting novel Raman optical properties compared with bulk crystals, may find potential applications in thermoelectric devices.

  3. Charge transfer in carbon nanotube actuators investigated using in situ Raman spectroscopy

    International Nuclear Information System (INIS)

    Gupta, S.; Hughes, M.; Windle, A.H.; Robertson, J.

    2004-01-01

    Charge transfer dynamics on the surface of single-wall carbon nanotube sheets is investigated using in situ Raman spectroscopy in order to understand the actuation mechanism of an electrochemical actuator and to determine associated parameters. We built an actuator from single-wall carbon nanotube mat and studied its actuation in several alkali metal (Li, Na, and K) and alkaline earth (Ca) halide and sulfate solutions in order to clarify the role of counterion as mobile ions in the film. The variation of bonding with applied potential was monitored using in situ Raman spectroscopy. This is because Raman can detect changes in C-C bond length: the radial breathing mode at ∼190 cm-1 varies inversely with the nanotube diameter, and the G band at ∼1590 cm-1 varies with the axial bond length. In addition, the intensities of both the modes vary with the emptying/depleting or filling of the bonding and antibonding states due to electrochemical charge injection. We discussed the variation of peak height and wave numbers of these modes providing valuable information concerning electrochemical charge injection on the carbon nanotube mat surface. We found in-plane microscopic compressive strain (∼-0.25%) and the equivalent charge transfer per carbon atom (f c ∼-0.005) as an upper bound for the actuators studied hereby. It is demonstrated that though the present analysis does comply with the proposition for the actuation principle made earlier, the quantitative estimates are significantly lower if compared with those of reported values. Furthermore, the extent of variation, i.e., coupled electro-chemo-mechanical response of single-wall carbon nanotubes (SWNT) mat depended upon the type of counterion used (Group I versus Group II). The cyclic voltammetry and ac electrochemical impedance spectroscopy results were described briefly, which help to demonstrate well-developed capacitive behavior of SWNT mat and to estimate the specific capacitances as well. Summarizing, the

  4. Resonant Raman characterization of InAlGaN/GaN heterostructures

    International Nuclear Information System (INIS)

    Cros, A.; Cantarero, A.; Pelekanos, N.T.; Georgakilas, A.; Pomeroy, J.; Kuball, M.

    2006-01-01

    InAlGaN/GaN heterostructures and thin films with In composition ranging from 0.03 to 0.1 are characterized by means of Raman scattering excited at various energies in the ultra violet range, tuning the laser excitation energy through the band gap of In x Al y Ga 1-x-y N. It is shown that the addition of In to the Al y Ga 1-y N alloy diminishes considerably the vibration energy of the A 1 (LO) phonon mode. The phonon line is asymmetric on the low energy side, and the asymmetry increases with In content, while the main peak shifts to lower energies. A shift of the phonon energy has also been observed when the excitation energy is close to the absorption edge of the In x Al y Ga 1-x-y N layer. The nature of this shift is discussed in relation with intrinsic and extrinsic inhomogeneities in the quaternary alloy. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Resonant Raman characterization of InAlGaN/GaN heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Cros, A.; Cantarero, A. [Institut de Ciencia dels Materials, Universitat de Valencia, 46071 Valencia (Spain); Pelekanos, N.T.; Georgakilas, A. [Microelectronics Research Group, FORTH/IESL and University of Crete, P.O. Box 1527, 71110 Heraklion, Crete (Greece); Pomeroy, J.; Kuball, M. [H. H. Wills Physics Laboratory, University of Bristol, Bristol BS8 1TL (United Kingdom)

    2006-06-15

    InAlGaN/GaN heterostructures and thin films with In composition ranging from 0.03 to 0.1 are characterized by means of Raman scattering excited at various energies in the ultra violet range, tuning the laser excitation energy through the band gap of In{sub x}Al{sub y}Ga{sub 1-x-y}N. It is shown that the addition of In to the Al{sub y}Ga{sub 1-y}N alloy diminishes considerably the vibration energy of the A{sub 1}(LO) phonon mode. The phonon line is asymmetric on the low energy side, and the asymmetry increases with In content, while the main peak shifts to lower energies. A shift of the phonon energy has also been observed when the excitation energy is close to the absorption edge of the In{sub x}Al{sub y}Ga{sub 1-x-y}N layer. The nature of this shift is discussed in relation with intrinsic and extrinsic inhomogeneities in the quaternary alloy. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Thermal structural evolutions of DMPC-water biomimetic systems investigated by Raman Spectroscopy.

    Science.gov (United States)

    Fasanella, A; Cosentino, K; Beneduci, A; Chidichimo, G; Cazzanelli, E; Barberi, R C; Castriota, M

    2018-06-01

    Many cell membranes of living organisms can be represented as phospholipid bilayers immersed into a water environment. The physical-chemical interactions at the membranes/water interface are responsible for the stabilization of the membranes. In addition, the drug efficiency, the pharmaceutical mechanism and the improvement of the drug design can be addressed to the interactions between the membranes-water interface with the drug and to the membrane-drug interface. In this framework, it is important to find membranes models able to simulate and simultaneously simplify the biological systems to better understand both physical and chemical interactions at the interface level. Dimyristoylphosphatidylcholine (DMPC) is a synthetic phospholipid used in order to make Multilamellar Vesicle (MLV), Large Unilamellar Vesicle (LUV) and Giant Unilamellar Vesicle (GUV). In order to understand the mechanisms of vesicle formation, we have analyzed mixtures of DMPC and water by micro-Raman spectroscopy at different temperatures in the range between 10 and 35 °C. Particularly, we analyzed the temperature dependence of the CN vibrational frequency, which appears well correlated to the order degree of the various phases. These investigations, beyond the determination of phospholipid hydrocarbon chains order, provide information about the conformation of the lipid membranes. We have identified the mixture of DMPC/water that is best suited for Raman studies and can be used as an in-vitro model for biological systems. A peculiar frequency shift across the transition gel-ripple-liquid crystalline phases has been proposed as a useful diagnostic marker to detect the "order degree" and subsequently the phases of biomimetic membranes made by DMPC. Copyright © 2018 Elsevier B.V. All rights reserved.

  7. Surface-Enhanced Raman Spectroscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 15; Issue 2. Surface-Enhanced Raman Spectroscopy - Recent Advancement of Raman Spectroscopy. Ujjal Kumar Sur. General Article Volume 15 Issue 2 February 2010 pp 154-164 ...

  8. Microanalysis of organic pigments and glazes in polychrome works of art by surface-enhanced resonance Raman scattering.

    Science.gov (United States)

    Leona, Marco

    2009-09-01

    Scientific studies of works of art are usually limited by severe sampling restrictions. The identification of organic colorants, a class of compounds relevant for attribution and provenance studies, is further complicated by the low concentrations at which these compounds are used and by the interference of the protein-, gum-, or oil-binding media present in pigment and glaze samples. Surface-enhanced resonance Raman scattering (SERRS) was successfully used to identify natural organic colorants in archaeological objects, polychrome sculptures, and paintings from samples smaller than 25 microm in diameter. The key factors in achieving the necessary sensitivity were a highly active stabilized silver colloid, obtained by the reproducible microwave-supported reduction of silver sulfate with glucose and sodium citrate, and a non-extractive hydrolysis sample treatment procedure that maximizes dye adsorption on the colloid. Among the examples presented are the earliest so far found occurrence of madder lake (in a 4,000 years old Egyptian object dating to the Middle Kingdom period), and the earliest known occurrence in Europe of the South Asian dyestuff lac (in the Morgan Madonna, a 12th century polychrome sculpture from Auvergne, France).

  9. High Resolution AFM and Single-Cell Resonance Raman Spectroscopy of Geobacter sulfurreducens Biofilms Early in Growth

    Energy Technology Data Exchange (ETDEWEB)

    Lebedev, Nikolai, E-mail: nikolai.lebedev@nrl.navy.mil; Strycharz-Glaven, Sarah M.; Tender, Leonard M., E-mail: nikolai.lebedev@nrl.navy.mil [Center for Biomolecular Science and Engineering, US Naval Research Laboratory, Washington, DC (United States)

    2014-08-21

    Atomic force microscopy and confocal resonance Raman microscopy (CRRM) of single-cells were used to study the transition of anode-grown Geobacter sulfurreducens biofilms from lag phase (initial period of low current) to exponential phase (subsequent period of rapidly increasing current). Results reveal that lag phase biofilms consist of lone cells and tightly packed single-cell thick clusters crisscrossed with extracellular linear structures that appears to be comprised of nodules approximately 20 nm in diameter aligned end to end. By early exponential phase, cell clusters expand laterally and a second layer of closely packed cells begins to form on top of the first. Abundance of c-type cytochromes (c-Cyt) is threefold greater in two-cell thick regions than in one-cell thick regions. The results indicate that early biofilm growth involves two transformations. The first is from lone cells to two-dimensionally associated cells during lag phase when current remains low. This is accompanied by formation of extracellular linear structures. The second is from two- to three-dimensionally associated cells during early exponential phase when current begins to increase rapidly. This is accompanied by a dramatic increase in c-Cyt abundance.

  10. High Resolution AFM and Single-Cell Resonance Raman Spectroscopy of Geobacter sulfurreducens Biofilms Early in Growth

    International Nuclear Information System (INIS)

    Lebedev, Nikolai; Strycharz-Glaven, Sarah M.; Tender, Leonard M.

    2014-01-01

    Atomic force microscopy and confocal resonance Raman microscopy (CRRM) of single-cells were used to study the transition of anode-grown Geobacter sulfurreducens biofilms from lag phase (initial period of low current) to exponential phase (subsequent period of rapidly increasing current). Results reveal that lag phase biofilms consist of lone cells and tightly packed single-cell thick clusters crisscrossed with extracellular linear structures that appears to be comprised of nodules approximately 20 nm in diameter aligned end to end. By early exponential phase, cell clusters expand laterally and a second layer of closely packed cells begins to form on top of the first. Abundance of c-type cytochromes (c-Cyt) is threefold greater in two-cell thick regions than in one-cell thick regions. The results indicate that early biofilm growth involves two transformations. The first is from lone cells to two-dimensionally associated cells during lag phase when current remains low. This is accompanied by formation of extracellular linear structures. The second is from two- to three-dimensionally associated cells during early exponential phase when current begins to increase rapidly. This is accompanied by a dramatic increase in c-Cyt abundance.

  11. Investigation of acoustic resonances in high-power lamps

    International Nuclear Information System (INIS)

    Kettlitz, M; Zalach, J; Rarbach, J

    2011-01-01

    High-power, medium-pressure, mercury-containing lamps are used as UV sources for many industrial applications. Lamps investigated in this paper are driven with an electronic ballast with a non-sinusoidal current waveform at a fixed frequency of 20 kHz and a maximum power output of 35 kW. Instabilities can occur if the input power is reduced below 50%. The reason is identified as acoustic resonances in the lamp. Comparison of calculated and measured resonance frequencies shows a good agreement and explains the observed lamp behaviour. This has led to the development of a new ballast prototype which is able to avoid instabilities by changing the driving frequency dependent on the applied power.

  12. Enhanced detection of explosives by turn-on resonance Raman upon host-guest complexation in solution and the solid state

    DEFF Research Database (Denmark)

    Witlicki, Edward H.; Bähring, Steffen; Johnsen, Carsten

    2017-01-01

    complexation occur via a mechanism of resonance between the 785 nm laser line and the strongly absorbing charge-transfer chromophore arising from the complex between electron-donating TTF-C[4]P and electron-accepting nitroaromatic explosives. The addition of chloride forms the Cl-·TTF-C[4]P complex resetting......The recognition of nitroaromatic explosives by a tetrakis-tetrathiafulvalene-calix[4]pyrrole receptor (TTF-C[4]P) yields a "turn on" and fingerprinting response in the resonance Raman scattering observed in solution and the solid state. Intensity changes in nitro vibrations with analyte...

  13. Molecular structure, vibrational analysis (IR and Raman) and quantum chemical investigations of 1-aminoisoquinoline

    Science.gov (United States)

    Sivaprakash, S.; Prakash, S.; Mohan, S.; Jose, Sujin P.

    2017-12-01

    Quantum chemical calculations of energy and geometrical parameters of 1-aminoisoquinoline [1-AIQ] were carried out by using DFT/B3LYP method using 6-311G (d,p), 6-311G++(d,p) and cc-pVTZ basis sets. The vibrational wavenumbers were computed for the energetically most stable, optimized geometry. The vibrational assignments were performed on the basis of potential energy distribution (PED) using VEDA program. The NBO analysis was done to investigate the intra molecular charge transfer of the molecule. The frontier molecular orbital (FMO) analysis was carried out and the chemical reactivity descriptors of the molecule were studied. The Mulliken charge analysis, molecular electrostatic potential (MEP), HOMO-LUMO energy gap and the related properties were also investigated at B3LYP level. The absorption spectrum of the molecule was studied from UV-Visible analysis by using time-dependent density functional theory (TD-DFT). Fourier Transform Infrared spectrum (FT-IR) and Raman spectrum of 1-AIQ compound were analyzed and recorded in the range 4000-400 cm-1 and 3500-100 cm-1 respectively. The experimentally determined wavenumbers were compared with those calculated theoretically and they complement each other.

  14. Preliminary investigation of an atmospheric microplasma using Raman and Thomson laser scattering

    Science.gov (United States)

    Sommers, Bradley; Adams, Steven

    2014-10-01

    A triple grating spectrometer system has been coupled with an ultraviolet laser at 266 nm for the purpose of investigating Rayleigh, Raman, and Thomson scattering within atmospheric plasma sources. Such laser interactions present a non-invasive diagnostic to investigate small scale atmospheric plasma sources, which have recently garnered interest for applications in remote optical sensing, materials processing, and environmental decontamination. In this work, the laser scatter and temperature relationship were calibrated with a heated nitrogen cell held at atmospheric pressure while subsequent scattering measurements were made in atmospheric discharges composed of nitrogen and air. An adjustable electrode configuration and dc circuit were assembled to produce a microdischarge operating in normal glow mode, thus providing a non-thermal plasma in which the translational, rotational, vibrational and electron temperatures are not in equilibrium. Preliminary results include measurements of these temperatures, which were calculated by fitting simulated scattering spectra to the experimental data obtained using the triple grating spectrometer. Measured temperatures were also compared with those obtained using standard optical emission spectroscopy methods. Special thanks to the NRC Research Associateship Program.

  15. Raman, SEM-EDS and XRPD investigations on pre-Columbian Central America "estucado" pottery

    Science.gov (United States)

    Casanova Municchia, Annalaura; Micheli, Mario; Ricci, Maria Antonietta; Toledo, Michelle; Bellatreccia, Fabio; Lo Mastro, Sergio; Sodo, Armida

    2016-03-01

    Seventeen different colored fragments from six selected pre-Columbian estucado ceramics from El Salvador have been investigated by Raman spectroscopy, scanning electron microscope coupled to an energy dispersive spectrometer (SEM/EDS) and X-ray powder diffraction (XRPD). The peculiarity of this kind of ceramics consist of the unusual presence of a white engobe, traditionally termed stucco, between the ceramic body and the decoration elements, hence the name estucado ceramics. The aim of this work was to study the unusual manufacturing technique and to identify the chemical composition of the engobe and of the pigment palette. The results showed that the stucco layer is made of clay (kaolinite) with traces of titanium oxide (anatase). Remarkably, this is the same composition of the white pigments used for the decoration layer, thus excluding an early use of natural titanium oxide as a white pigment in the estucado productions as suggested in previous investigations. Moreover, the presence of kaolinite and anatase both in the stucco and in the decoration layer suggests a cold-working or low temperature technique. The red, yellow and green decorations were realized by the use of natural ochre, while in all the blue and gray decorations Maya blue pigment was identified. Finally, an amorphous carbon pigment of vegetal origin and manganese oxide were used to obtain black pigments.

  16. Spatially resolved investigation of the oil composition in single intact hyphae of Mortierella spp. with micro-Raman spectroscopy.

    Science.gov (United States)

    Münchberg, Ute; Wagner, Lysett; Spielberg, Eike T; Voigt, Kerstin; Rösch, Petra; Popp, Jürgen

    2013-02-01

    Zygomycetes are well known for their ability to produce various secondary metabolites. Fungi of the genus Mortierella can accumulate highly unsaturated lipids in large amounts as lipid droplets. However, no information about the spatial distribution or homogeneity of the oil inside the fungi is obtainable to date due to the invasive and destructive analytical techniques applied so far. Raman spectroscopy has been demonstrated to be well suited to investigate biological samples on a micrometre scale. It also has been shown that the degree of unsaturation of lipids can be determined from Raman spectra. We applied micro-Raman spectroscopy to investigate the spatial distribution and composition of lipid vesicles inside intact hyphae. For Mortierella alpina and Mortierella elongata distinct differences in the degree of unsaturation and even the impact of growth conditions are determined from the Raman spectra. In both species we found that the fatty acid saturation in the vesicles is highly variable in the first 600 μm of the growing hyphal tip and fluctuates towards a constant composition and saturation ratio in all of the remaining mycelium. Our approach facilitates in vivo monitoring of the lipid production and allows us to investigate the impact of cultivation parameters on the oil composition directly in the growing hyphae without the need for extensive extraction procedures. Copyright © 2012 Elsevier B.V. All rights reserved.

  17. Exotic baryon resonances. Modern status. Possibilities to search and investigate

    International Nuclear Information System (INIS)

    Bagdasaryan, L.S.; Galumyan, P.I.; Grigoryan, A.A.; Kazaryan, S.P.; Khachatryan, G.N.; Oganesyan, A.G.; Vartapetyan, H.H.

    1985-01-01

    A possibility to investigate the exotic baryon resonances with qqqqq quark composition, in the systems pπ + π + , Λπ - π - , Σ - π - , etc. possessing exotic quantum numbers of isospin is considered. The most favourable reactions and kinematical regions where an effective search for the exotic baryons is possible are grounded. The contribution of the background subprocesses to the investigated systems is analyzed in various reactions and momenta configurations of the particles. The analysis shows that the search for the I=5/2 resonances in the system pπ + π + (Δ ++ π + ) is more reasonable in the π + p-interaction process, this system carrying the main portion of momentum in the lab. system. The exotic hyperons with S=-1 srangeness and I=2 isospin are to be searched in the fast-flying systems Λπ - π - (Σ* - (1385)π - ) and Σ - π - produced in the reactions on the K - beams. The cross sections of the production of the E 55 -baryon (J p =5/2 + , I=5/2) in the π + p → E 55 +++ π- and π + p → E 55 +++ x processes are theoretically estimated. The estimations show that in the experiments with the OMEGA spectometer at CERN one can get a substantial increase in the statistics as compared to that available, thus providing a detailed analysis of the pπ + π + system on the high confidence level. The question of investigation of the exotic baryon Regge trajectories in the processes of the inclusive production of ordinary (nonexotic) Δ ++ (1232), Σ* + (1385)- and Σ + -resonances in the π - -beam fragmentation region is also considered

  18. BIS-2 spectrometer for search and investigation of narrow resonances

    International Nuclear Information System (INIS)

    Aleev, A.N.; Aref'ev, V.A.; Balandin, V.P.

    1989-01-01

    The configuration and main characteristics of the BIS-2 spectrometer are described. The spectrometer was intended to search for and to investigate charmed particles and narrow resonances produced in neutron-nucleus interactions. It was placed on a neutron beam of the Serpukhov accelerator. The Monte-Carlo simulated and experimentally measured characteristics of individual elements and the spectrometer as a whole are described. A brief review of the principal results based on the analysis of more than 10 7 neutron-nucleus interactions registered by means of the BIS-2 spectrometer is given. 34 refs.; 8 figs.; 5 tabs

  19. Investigation of the Pygmy Dipole Resonance in {sup 60}Ni

    Energy Technology Data Exchange (ETDEWEB)

    Fritzsche, Matthias; Pietralla, Norbert; Romig, Christopher; Savran, Deniz; Sonnabend, Kerstin [Institut fuer Kernphysik, Technische Universitaet, Darmstadt (Germany); Rusev, Gencho; Tonchev, Anton P.; Tornow, Werner; Weller, Henry R. [Triangle Universities Nuclear Laboratory, Duke University, Durham, NC (United States); Zilges, Andreas [Institut fuer Kernphysik, Universitaet Koeln (Germany)

    2009-07-01

    At the High Intensity Photon Setup (HIPS) at S-DALINAC in Darmstadt {sup 60}Ni was investigated with unpolarized bremsstrahlung with energies up to 8.0 MeV and 9.9 MeV, respectively. Determination of spin and parity quantum numbers and absolute transition strengths was possible, using HPGe detectors placed under different angles. To assign also parity quantum numbers, the polarized photon beam of the High Intensity Gamma Source (HI{gamma}S) at Duke University was used. With the combined results, evidence of the Pygmy Dipole Resonance in {sup 60}Ni was found.

  20. 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.

  1. Investigation of Chinese archaic jade by PIXE and μRaman spectrometry

    International Nuclear Information System (INIS)

    Chen, T.H.; Calligaro, T.; Pages-Camagna, S.; Menu, M.

    2004-01-01

    External-beam particle-induced X-ray emission (PIXE) and μRaman spectrometry were used for elemental and structural studies of Chinese archaic nephrite jades of the Guimet Asian Museum in Paris in a non-destructive way. Nephrite is a variety of tremolite-actinolite of the amphibole group, with variable iron and magnesium contents. In the present work, in addition to identification of materials, the cation distribution in nephrite was investigated. Cation order-disorder is related to thermodynamic properties of minerals, and hence associated with geological conditions of the mineral formation. Besides, it plays an important role in the mechanism of coloration. So far, little work has been done on the cation distribution in nephrite. We thus initiated this research expecting to answer open questions concerning art and archaeological issues such as jade provenance and colour. The OH stretching vibration band of nephrite, depending on the electronegativity of the bonded cations, presents a fine structure. The study of this fine structure, together with the total cation content obtained by PIXE, allows estimation of the cation distribution in nephrite. In this study, six jade artefacts, dated from the Neolithic period to the Han dynasty (about 3000 BC to 220 AD), with diverse colours including white, yellow-green, green, dark green and black, were analysed. The data obtained permits establishing a geological database for determination of nephrite provenance and explaining the correlation between colour and cation distribution. (orig.)

  2. Suppression of resonance Raman scattering via ground state depletion towards sub-diffraction-limited label-free microscopy

    NARCIS (Netherlands)

    Rieger, S.; Fischedick, M.; Boller, Klaus J.; Fallnich, Carsten

    2016-01-01

    We report on the first experimental demonstration of the suppression of spontaneous Raman scattering via ground state depletion. The concept of Raman suppression can be used to achieve sub-diffraction-limited resolution in label-free microscopy by exploiting spatially selective signal suppression

  3. Ultra violet resonance Raman spectroscopy in lignin analysis: determination of characteristic vibrations of p-hydroxyphenyl, guaiacyl, and syringyl lignin structures.

    Science.gov (United States)

    Saariaho, Anna-Maija; Jääskeläinen, Anna-Stiina; Nuopponen, Mari; Vuorinen, Tapani

    2003-01-01

    Raman spectroscopy of wood and lignin samples is preferably carried out in the near-infrared region because lignin produces an intense laser-induced fluorescence background at visible excitation wavelengths. However, excitation of aromatic and conjugated lignin structures with deep ultra violet (UV) light gives resonance-enhanced Raman signals while the overlapping fluorescence is eliminated. In this study, ultra violet resonance Raman (UVRR) spectroscopy was used to define characteristic vibration bands of model compounds of p-hydroxyphenyl, guaiacyl, and syringyl lignin structures at three excitation wavelengths (229, 244, and 257 nm). The intensities of each band, relative to the intensity of the aromatic vibration band at 1600 cm-1, were defined and the most suitable excitation wavelength was suggested for each structure. p-Hydroxyphenyl structures showed intensive characteristic bands at 1217-1214 and 1179-1167 cm-1 with excitation at 244 nm, whereas the bands of guaiacyl structures were more intensive with 257 nm excitation. Most intensive characteristic bands of guaiacyl structures were found at 1289-1279, 1187-1185, 1158-1155, and 791-704 cm-1. Syringyl structures had almost identical spectra with 244 and 257 nm excitations with characteristic bands at 1514-1506, 1333-1330, and 981-962 cm-1. The characteristic bands of the three structural units were also found from the compression wood, softwood, and hardwood samples, indicating that UVRR spectroscopy can be applied for the determination of chemical structures of lignin.

  4. Evidence of dithionite contribution to the low-frequency resonance Raman spectrum of reduced and mixed-valence cytochrome c oxidase.

    Science.gov (United States)

    Centeno, J A

    1992-02-01

    The resonance Raman spectra of deoxygenated solutions of mixed-valence cyanide-bound and fully reduced cytochrome oxidase derivatives that have been reduced in the presence of aqueous or solid sodium dithionite exhibit two new low-frequency lines centered at 474 and 590 cm-1. These lines were not observed when the reductant system was changed to a solution containing ascorbate and N,N,N',N'-tetramethyl-p-phenylenediamine (TMPD). Under enzyme turnover conditions, the addition of dithionite to the reoxidized protein (the 428-nm or "oxygenated" form) increases the intensity of these lines, while reoxidation and rereduction of the enzyme in the presence of ascorbate/TMPD resulted in the absence of both lines. Our data suggest that both lines must have contributions from species formed from aqueous dithionite, presumably the SO2 species, since these two lines are also observed in the Raman spectrum of a solution of aqueous dithionite, but not in the spectrum of an ascorbate/TMPD solution. Since heme metal-ligand stretch vibrations are expected to appear in the low-frequency region from 215 to 670 cm-1, our results indicate that special care should be exercised during the interpretation of the cytochrome a3 resonance Raman spectrum.

  5. An Investigation on Micro-Raman Spectra and Wavelet Data Analysis for Pemphigus Vulgaris Follow-up Monitoring.

    Science.gov (United States)

    Camerlingo, Carlo; Zenone, Flora; Perna, Giuseppe; Capozzi, Vito; Cirillo, Nicola; Gaeta, Giovanni Maria; Lepore, Maria

    2008-06-01

    A wavelet multi-component decomposition algorithm has been used for data analysis of micro-Raman spectra of blood serum samples from patients affected by pemphigus vulgaris at different stages. Pemphigus is a chronic, autoimmune, blistering disease of the skin and mucous membranes with a potentially fatal outcome. Spectra were measured by means of a Raman confocal microspectrometer apparatus using the 632.8 nm line of a He-Ne laser source. A discrete wavelet transform decomposition method has been applied to the recorded Raman spectra in order to overcome problems related to low-level signals and the presence of noise and background components due to light scattering and fluorescence. This numerical data treatment can automatically extract quantitative information from the Raman spectra and makes more reliable the data comparison. Even if an exhaustive investigation has not been done in this work, the feasibility of the follow-up monitoring of pemphigus vulgaris pathology has been clearly proved with useful implications for the clinical applications.

  6. An Investigation on Micro-Raman Spectra and Wavelet Data Analysis for Pemphigus Vulgaris Follow-up Monitoring.

    Directory of Open Access Journals (Sweden)

    Maria Lepore

    2008-06-01

    Full Text Available A wavelet multi-component decomposition algorithm has been used for data analysis of micro-Raman spectra of blood serum samples from patients affected by pemphigus vulgaris at different stages. Pemphigus is a chronic, autoimmune, blistering disease of the skin and mucous membranes with a potentially fatal outcome. Spectra were measured by means of a Raman confocal microspectrometer apparatus using the 632.8 nm line of a He-Ne laser source. A discrete wavelet transform decomposition method has been applied to the recorded Raman spectra in order to overcome problems related to low-level signals and the presence of noise and background components due to light scattering and fluorescence. This numerical data treatment can automatically extract quantitative information from the Raman spectra and makes more reliable the data comparison. Even if an exhaustive investigation has not been done in this work, the feasibility of the follow-up monitoring of pemphigus vulgaris pathology has been clearly proved with useful implications for the clinical applications.

  7. An FT-Raman, FT-IR, and Quantum Chemical Investigation of Stanozolol and Oxandrolone

    Directory of Open Access Journals (Sweden)

    Tibebe Lemma

    2017-12-01

    Full Text Available We have studied the Fourier Transform Infrared (FT-IR and the Fourier transform Raman (FT-Raman spectra of stanozolol and oxandrolone, and we have performed quantum chemical calculations based on the density functional theory (DFT with a B3LYP/6-31G (d, p level of theory. The FT-IR and FT-Raman spectra were collected in a solid phase. The consistency between the calculated and experimental FT-IR and FT-Raman data indicates that the B3LYP/6-31G (d, p can generate reliable geometry and related properties of the title compounds. Selected experimental bands were assigned and characterized on the basis of the scaled theoretical wavenumbers by their total energy distribution. The good agreement between the experimental and theoretical spectra allowed positive assignment of the observed vibrational absorption bands. Finally, the calculation results were applied to simulate the Raman and IR spectra of the title compounds, which show agreement with the observed spectra.

  8. Evaluation of strain in GaN/AlN quantum dots by means of resonant Raman scattering: the effect of capping

    Energy Technology Data Exchange (ETDEWEB)

    Cros, A.; Budagosky, J.A.; Garro, N.; Cantarero, A. [Institut de Ciencia del Materials, Universitat de Valencia, 46071 Valencia (Spain); Coraux, J.; Renevier, H.; Favre-Nicolin, V. [CEA-CNRS Group, ' ' Nanophysique et Semiconducteurs' ' , DRFMC/SP2M/PSC, CEA-Grenoble, 17 rue des Martyrs, 38054 Grenoble cedex 9 (France); Universite Joseph Fourier, BP 53, 38041 Grenoble Cedex 9 (France); Proietti, M.G. [Departamento de Fisica de la Materia Condensada, Instituto de Ciencia de Materiales de Aragon, CSIC-Universidad de Zaragoza, calle Pedro Cerbuna 12, 50009 Zaragoza (Spain); Daudin, B. [CEA-CNRS Group, ' ' Nanophysique et Semiconducteurs' ' , DRFMC/SP2M/PSC, CEA-Grenoble, 17 rue des Martyrs, 38054 Grenoble cedex 9 (France)

    2007-06-15

    We have studied in detail changes in the strain state of GaN/AlN quantum dots during the capping process. {mu}-Raman scattering experiments allowed the detection of a resonant mode which provided information on the evolution of strain with capping. Simultaneously, Multiwavelength Anomalous Diffraction (MAD) and Diffraction Anomalous Fine Structure (DAFS) experiments were performed on the same samples, providing the independent determination of the wurtzite lattice parameters a and c. The remarkable agreement between Raman and X-ray data stands out the suitability of polar vibrational modes for the determination of strain in nanostructures. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Resonance Raman spectra of organic molecules absorbed on inorganic semiconducting surfaces: Contribution from both localized intramolecular excitation and intermolecular charge transfer excitation

    International Nuclear Information System (INIS)

    Ye, ChuanXiang; Zhao, Yi; Liang, WanZhen

    2015-01-01

    The time-dependent correlation function approach for the calculations of absorption and resonance Raman spectra (RRS) of organic molecules absorbed on semiconductor surfaces [Y. Zhao and W. Z. Liang, J. Chem. Phys. 135, 044108 (2011)] is extended to include the contribution of the intermolecular charge transfer (CT) excitation from the absorbers to the semiconducting nanoparticles. The results demonstrate that the bidirectionally interfacial CT significantly modifies the spectral line shapes. Although the intermolecular CT excitation makes the absorption spectra red shift slightly, it essentially changes the relative intensities of mode-specific RRS and causes the oscillation behavior of surface enhanced Raman spectra with respect to interfacial electronic couplings. Furthermore, the constructive and destructive interferences of RRS from the localized molecular excitation and CT excitation are observed with respect to the electronic coupling and the bottom position of conductor band. The interferences are determined by both excitation pathways and bidirectionally interfacial CT

  10. Strain, doping, and disorder effects in GaAs/Ge/Si heterostructures: A Raman spectroscopy investigation

    Science.gov (United States)

    Mlayah, A.; Carles, R.; Leycuras, A.

    1992-01-01

    The present work is devoted to a Raman study of GaAs/Ge/Si heterostructures grown by the vapor-phase epitaxy technique. We first show that the GaAs epilayers are submitted to a biaxial tensile strain. The strain relaxation generates misfit dislocations and thus disorder effects which we analyze in terms of translational invariance loss and Raman selection rules violation. The first-order Raman spectra of annealed samples exhibit an unexpected broadband we identify as due to scattering by a coupled LO phonon-damped plasmon mode. This is corroborated by an accurate line-shape analysis which accounts for the recorded spectra and makes evident the presence of free carriers within the GaAs layers. Their density is estimated from the deduced plasmon frequency and also using a method we have presented in a previous work.

  11. Comparison of high-resolution ultrasonic resonator technology and Raman spectroscopy as novel process analytical tools for drug quantification in self-emulsifying drug delivery systems.

    Science.gov (United States)

    Stillhart, Cordula; Kuentz, Martin

    2012-02-05

    Self-emulsifying drug delivery systems (SEDDS) are complex mixtures in which drug quantification can become a challenging task. Thus, a general need exists for novel analytical methods and a particular interest lies in techniques with the potential for process monitoring. This article compares Raman spectroscopy with high-resolution ultrasonic resonator technology (URT) for drug quantification in SEDDS. The model drugs fenofibrate, indomethacin, and probucol were quantitatively assayed in different self-emulsifying formulations. We measured ultrasound velocity and attenuation in the bulk formulation containing drug at different concentrations. The formulations were also studied by Raman spectroscopy. We used both, an in-line immersion probe for the bulk formulation and a multi-fiber sensor for measuring through hard-gelatin capsules that were filled with SEDDS. Each method was assessed by calculating the relative standard error of prediction (RSEP) as well as the limit of quantification (LOQ) and the mean recovery. Raman spectroscopy led to excellent calibration models for the bulk formulation as well as the capsules. The RSEP depended on the SEDDS type with values of 1.5-3.8%, while LOQ was between 0.04 and 0.35% (w/w) for drug quantification in the bulk. Similarly, the analysis of the capsules led to RSEP of 1.9-6.5% and LOQ of 0.01-0.41% (w/w). On the other hand, ultrasound attenuation resulted in RSEP of 2.3-4.4% and LOQ of 0.1-0.6% (w/w). Moreover, ultrasound velocity provided an interesting analytical response in cases where the drug strongly affected the density or compressibility of the SEDDS. We conclude that ultrasonic resonator technology and Raman spectroscopy constitute suitable methods for drug quantification in SEDDS, which is promising for their use as process analytical technologies. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. Infrared and Raman investigation of rare-earth phosphate glasses for potential use as radioactive waste forms

    International Nuclear Information System (INIS)

    Morgan, S.H.

    1989-01-01

    This project was designed to investigate the properties of the rare-earth phosphate glass systems CeO 2 -P 2 O 5 and Pr 2 O 3 -P 2 O 5 for potential use as radioactive waste glasses. The glass-forming region and optimum processing parameters of these glass systems were investigated. The structure of the host glasses and glassed loaded with simulated waste elements was investigated using Raman and infrared spectroscopy. Because of the radical differences in the spectra of the molybdenum-loaded glasses, the structure of the MoO 3 -P 2 O 5 glass system was also investigated. 29 refs., 8 figs., 2 tabs

  13. Ultrafast stimulated Raman spectroscopy in the near-infrared region

    International Nuclear Information System (INIS)

    Takaya, Tomohisa

    2016-01-01

    A number of electronic transitions in the near-infrared wavelength region are associated with migration or delocalization of electrons in large molecules or molecular systems. Time-resolved near-infrared Raman spectroscopy will be a powerful tool for investigating the structural dynamic of samples with delocalized electrons. However, the sensitivity of near-infrared spontaneous Raman spectrometers is significantly low due to an extremely small probability of Raman scattering and a low sensitivity of near-infrared detectors. Nonlinear Raman spectroscopy is one of the techniques that can overcome the sensitivity problems and enable us to obtain time-resolved Raman spectra in resonance with near-IR transitions. In this article, the author introduces recent progress of ultrafast time-resolved near-infrared stimulated Raman spectroscopy. Optical setup, spectral and temporal resolution, and applications of the spectrometer are described. (author)

  14. FT-Raman and FT-Infrared investigations of archaeological artefacts from Foeni Neolithic site (Banat, Romania)

    OpenAIRE

    Simona Cîntă Pînzaru; Dana Pop; Loredana Nemeth

    2008-01-01

    An impressive collection of chert artefacts from the Foeni Neolithic archaeological site (Timiş County, Banat region, Romania) is hosted by the Banat Museum in Timişoara. A representative set of seven specimens was non-destructively investigated using FT-Raman and ATR-FT-IR spectroscopy. The research was carried out for checking if these readily-available, non-destructive, fast, and cheap methods, which do not require preliminary sample preparation could provide significant information for ch...

  15. Investigation of Subcombination Internal Resonances in Cantilever Beams

    Directory of Open Access Journals (Sweden)

    Haider N. Arafat

    1998-01-01

    Full Text Available Activation of subcombination internal resonances in transversely excited cantilever beams is investigated. The effect of geometric and inertia nonlinearities, which are cubic in the governing equation of motion, is considered. The method of time-averaged Lagrangian and virtual work is used to determine six nonlinear ordinary-differential equations governing the amplitudes and phases of the three interacting modes. Frequency- and force-response curves are generated for the case ω ≈ ω4 ≈ 1/2(ω2 + ω5. There are two possible responses: single-mode and three-mode responses. The single-mode periodic response is found to undergo supercritical and subcritical pitchfork bifurcations, which result in three-mode interactions. In the case of three-mode responses, there are conditions where the low-frequency mode dominates the response, resulting in high-amplitude quasiperiodic oscillations.

  16. Electron magnetic resonance investigation of chromium diffusion in yttria powders

    Energy Technology Data Exchange (ETDEWEB)

    Biasi, R.S. de, E-mail: rsbiasi@ime.eb.b [Secao de Engenharia Mecanica e de Materiais, Instituto Militar de Engenharia, Pr. General Tiburcio, 80, 22290-270 Rio de Janeiro, RJ (Brazil); Grillo, M.L.N., E-mail: mluciag@uerj.b [Instituto de Fisica, Universidade do Estado do Rio de Janeiro, 20550-013 Rio de Janeiro, RJ (Brazil)

    2010-03-01

    The electron magnetic resonance (EMR) technique was used to investigate the diffusion of chromium in yttria (Y{sub 2}O{sub 3}) powders. The EMR absorption intensity was measured for several annealing times and three different temperatures of isothermal annealing: 1273, 1323 and 1373 K. The activation temperature for diffusion, calculated from the experimental data using a theoretical model based on the Fick equation, was found to be E{sub A}=342+-5 kJ mol{sup -1}. This value is larger than the activation energy for the diffusion of chromium in rutile (TiO{sub 2}), periclase (MgO) and cobalt monoxide (CoO) and smaller than the activation energy for the diffusion of chromium in chrysoberyl (BeAl{sub 2}O{sub 4}).

  17. Investigation on dispersion in the active optical waveguide resonator

    Science.gov (United States)

    Qiu, Zihan; Gao, Yining; Xie, Wei

    2018-03-01

    Introducing active gain in the optical waveguide resonator not only compensates the loss, but also can change the dispersion relationship in the ring resonator. It is demonstrated that the group delay time is negative when the resonator is in the undercoupled condition, which also means the resonator exhibits the fast light effect. Theoretical analysis indicates that fast light effect due to anomalous dispersion, would be manipulated by the gain coefficient controlled by the input pump light power and that fast light would enhance scale factor of the optical resonant gyroscope. Resonance optical gyroscope (ROG)'s scale factor for measuring rotation rate is enhanced by anomalous dispersion with superluminal light propagation. The sensitivity of ROG could be enhanced by anomalous dispersion by coupled resonators even considering the effect of anomalous dispersion and propagation gain on broadened linewidth, and this could result in at least two orders of magnitude enhancement in sensitivity.

  18. Raman spectra of graphene ribbons

    International Nuclear Information System (INIS)

    Saito, R; Furukawa, M; Dresselhaus, G; Dresselhaus, M S

    2010-01-01

    Raman spectra of graphene nanoribbons with zigzag and armchair edges are calculated within non-resonant Raman theory. Depending on the edge structure and polarization direction of the incident and scattered photon beam relative to the edge direction, a symmetry selection rule for the phonon type appears. These Raman selection rules will be useful for the identification of the edge structure of graphene nanoribbons.

  19. Vibrational spectroscopy of the electronically excited state. 4. Nanosecond and picosecond time-resolved resonance Raman spectroscopy of carotenoid excited states

    International Nuclear Information System (INIS)

    Dallinger, R.F.; Farquharson, S.; Woodruff, W.H.; Rodgers, M.A.J.

    1981-01-01

    Resonance Raman and electronic absorption spectra are reported for the S 0 and T 1 states of the carotenoids β-carotene, zeaxanthin, echinenone, canthaxanthin, dihydroxylycopene, astaxanthin, decapreno(C 50 )-β-carotene, β-apo-8'-carotenal, and ethyl β-apo-8'-carotenoate. The results reveal qualitatively similar ground-state spectra and similar frequency shifts in all observed resonance Raman modes between S 0 and T 1 , regardless of carotenoid structure. Examinations of the relationship of the putative C--C and C==C frequencies in S 0 and T 1 reveals anomalous shifts to lower frequency in the ''single-bond'' mode upon electronic excitation. These shifts may be due to molecular distortions in the excited state which force changes in molecular motions comprising the observed modes. However, another possibility requiring no distortion is that the interaction (off-diagonal) force constants connecting the C--C and C==C modes change sign upon electronic excitation. This latter phenomenon may provide a unitary explanation for the ''anomalous'' frequency shifts in the C--C and C==C modes, both in the T 1 states of carotenoids and in the S 1 states of simpler polyenes, without postulating large, unpredicted structural changes upon excitation or general errors in existing vibrational or theoretical analyses. Resonance Raman and absorbance studies with 35-ps time resolution suggest that S 1 lifetime (of the 1 B/sub u/ and/or the 1 A/sub g/* states) of β-carotene in benzene is less than 1 ps

  20. A micro-Raman spectroscopic investigation of leukemic U-937 cells in aged cultures

    Science.gov (United States)

    Fazio, Enza; Trusso, Sebastiano; Franco, Domenico; Nicolò, Marco Sebastiano; Allegra, Alessandro; Neri, Fortunato; Musolino, Caterina; Guglielmino, Salvatore P. P.

    2016-04-01

    Recently it has been shown that micro-Raman spectroscopy combined with multivariate analysis is able to discriminate among different types of tissues and tumoral cells by the detection of significant alterations and/or reorganizations of complex biological molecules, such as nucleic acids, lipids and proteins. Moreover, its use, being in principle a non-invasive technique, appears an interesting clinical tool for the evaluation of the therapeutical effects and of the disease progression. In this work we analyzed molecular changes in aged cultures of leukemia model U937 cells with respect to fresh cultures of the same cell line. In fact, structural variations of individual neoplastic cells on aging may lead to a heterogeneous data set, therefore falsifying confidence intervals, increasing error levels of analysis and consequently limiting the use of Raman spectroscopy analysis. We found that the observed morphological changes of U937 cells corresponded to well defined modifications of the Raman contributions in selected spectral regions, where markers of specific functional groups, useful to characterize the cell state, are present. A detailed subcellular analysis showed a change in cellular organization as a function of time, and correlated to a significant increase of apoptosis levels. Besides the aforementioned study, Raman spectra were used as input for principal component analysis (PCA) in order to detect and classify spectral changes among U937 cells.

  1. Investigation into structure and dehydration dynamic of gallic acid monohydrate: A Raman spectroscopic study.

    Science.gov (United States)

    Cai, Qiang; Xue, Jiadan; Wang, Qiqi; Du, Yong

    2018-05-02

    The dehydration process of gallic acid monohydrate was carried out by heating method and characterized using Raman spectroscopic technique. Density functional theory calculation with B3LYP function is applied to simulate optimized structures and vibrational frequencies of anhydrous gallic acid and its corresponding monohydrated form. Different vibrational modes are assigned by comparison between experimental and theoretical Raman spectra of above two polymorphs. Raman spectra show that vibrational modes of the monohydrate are distinctively different from those of anhydrous one. Meanwhile, the dynamic information about dehydration process of gallic acid monohydrate could also be observed and monitored directly with the help of Raman spectral analysis. The decay rate of the characteristic band from gallic acid monohydrate and the growth rate of anhydrous one are pretty consistent with each other. It indicates that there is no intermediate present during the dehydration process of gallic acid monohydrate. The results could offer us benchmark works for identifying both anhydrous and hydrated pharmaceutical compounds, characterizing their corresponding molecular conformation within various crystalline forms, and also providing useful information about the process of dehydration dynamic at the microscopic molecular level. Copyright © 2018 Elsevier B.V. All rights reserved.

  2. Role of hydration in the phase transition of polypeptides investigated by NMR and Raman spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Dybal, Jiří; Schmidt, Pavel; Kříž, Jaroslav; Kurková, Dana; Rodriguez-Cabello, J. C.; Alonso, M.

    2004-01-01

    Roč. 205, - (2004), s. 143-150 ISSN 1022-1360 R&D Projects: GA AV ČR IAA4050208 Institutional research plan: CEZ:AV0Z4050913 Keywords : NMR * quantum chemistry * Raman spectroscopy Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.691, year: 2004

  3. Investigation of Raman chemical imaging for detection of Lycopene changes in tomatoes during postharvest ripening

    Science.gov (United States)

    Lycopene is a major carotenoid in tomatoes and detecting changes in lycopene content can be used to monitor the ripening of tomatoes. Raman chemical imaging is a new technique that shows promise for mapping constituents of interest in complex food matrices. In this study, a benchtop point-scanning...

  4. Magnetic resonance imaging and nuclear magnetic resonance investigations of bentonite systems

    Energy Technology Data Exchange (ETDEWEB)

    Dvinskikh, Sergey V.; Furo, Istvan (Industrial NMR Centre and Div. of Physical Chemistry, Dept. of Chemistry, Royal Institute of Technology, Stockholm (Sweden))

    2009-09-15

    This report summarizes results from a set of magnetic resonance imaging (MRI) and nuclear magnetic resonance (NMR) experiments performed on Ca and Na montmorillonite samples interacting with water. The primary goal with these studies was to provide, in a non-invasive manner, a quantitative measure of bentonite distribution in extended samples during and after different physical processes such as swelling and sedimentation and on the time scale from minutes to years. Additionally, we also studied the distribution of foreign particles (such as native minerals as well as magnetic model particles) within bentonite systems and performed some diffusion NMR experiments with the aim of characterizing the state of colloids that form after clay dissolution. Both natural montmorillonites and purified and ion-exchanged montmorillonite clays were investigated. The primary variables were clay composition and water ionic strength. Bulk samples confined in a vertical tube and in a horizontal channel were investigated. A critical issue for the stability of clay buffer layer in deep underground repository is to prevent or minimize the release of clay particles into the water phase. In our experiments, the most significant particle losses were found for Na-MX80 clay exposed to water with low ionic strength. With increasing the concentration of CaCl{sub 2} in the water phase both swelling and particle release are slowed down but not completely eliminated due probably to gradual change of water ion content via ion exchange with the clay itself. For natural MX80 samples, in spite of significant swelling expansion, no clay particle release above the sensitivity limit of 0.001 volume% was observed. Ca-MX80 exhibited the smallest expansion and no trace of clay particle released into the aqueous phase

  5. Magnetic resonance imaging and nuclear magnetic resonance investigations of bentonite systems

    International Nuclear Information System (INIS)

    Dvinskikh, Sergey V.; Furo, Istvan

    2009-09-01

    This report summarizes results from a set of magnetic resonance imaging (MRI) and nuclear magnetic resonance (NMR) experiments performed on Ca and Na montmorillonite samples interacting with water. The primary goal with these studies was to provide, in a non-invasive manner, a quantitative measure of bentonite distribution in extended samples during and after different physical processes such as swelling and sedimentation and on the time scale from minutes to years. Additionally, we also studied the distribution of foreign particles (such as native minerals as well as magnetic model particles) within bentonite systems and performed some diffusion NMR experiments with the aim of characterizing the state of colloids that form after clay dissolution. Both natural montmorillonites and purified and ion-exchanged montmorillonite clays were investigated. The primary variables were clay composition and water ionic strength. Bulk samples confined in a vertical tube and in a horizontal channel were investigated. A critical issue for the stability of clay buffer layer in deep underground repository is to prevent or minimize the release of clay particles into the water phase. In our experiments, the most significant particle losses were found for Na-MX80 clay exposed to water with low ionic strength. With increasing the concentration of CaCl 2 in the water phase both swelling and particle release are slowed down but not completely eliminated due probably to gradual change of water ion content via ion exchange with the clay itself. For natural MX80 samples, in spite of significant swelling expansion, no clay particle release above the sensitivity limit of 0.001 volume% was observed. Ca-MX80 exhibited the smallest expansion and no trace of clay particle released into the aqueous phase

  6. Raman spectroscopy in graphene

    International Nuclear Information System (INIS)

    Malard, L.M.; Pimenta, M.A.; Dresselhaus, G.; Dresselhaus, M.S.

    2009-01-01

    Recent Raman scattering studies in different types of graphene samples are reviewed here. We first discuss the first-order and the double resonance Raman scattering mechanisms in graphene, which give rise to the most prominent Raman features. The determination of the number of layers in few-layer graphene is discussed, giving special emphasis to the possibility of using Raman spectroscopy to distinguish a monolayer from few-layer graphene stacked in the Bernal (AB) configuration. Different types of graphene samples produced both by exfoliation and using epitaxial methods are described and their Raman spectra are compared with those of 3D crystalline graphite and turbostratic graphite, in which the layers are stacked with rotational disorder. We show that Resonance Raman studies, where the energy of the excitation laser line can be tuned continuously, can be used to probe electrons and phonons near the Dirac point of graphene and, in particular allowing a determination to be made of the tight-binding parameters for bilayer graphene. The special process of electron-phonon interaction that renormalizes the phonon energy giving rise to the Kohn anomaly is discussed, and is illustrated by gated experiments where the position of the Fermi level can be changed experimentally. Finally, we discuss the ability of distinguishing armchair and zig-zag edges by Raman spectroscopy and studies in graphene nanoribbons in which the Raman signal is enhanced due to resonance with singularities in the density of electronic states.

  7. Raman and terahertz spectroscopical investigation of cocrystal formation process of piracetam and 3-hydroxybenzoic acid

    Science.gov (United States)

    Du, Yong; Zhang, Huili; Xue, Jiadan; Fang, Hongxia; Zhang, Qi; Xia, Yi; Li, Yafang; Hong, Zhi

    2015-03-01

    Cocrystallization can improve physical and chemical properties of active pharmaceutical ingredient, and this feature has great potential in pharmaceutical development. In this study, the cocrystal of piracetam and 3-hydroxybenzoic acid under grinding condition has been characterized by Raman and terahertz spectroscopical techniques. The major vibrational modes of individual starting components and cocrystal are obtained and assigned. Spectral results show that the vibrational modes of the cocrystal are different from those of the corresponding parent materials. The dynamic process of such pharmaceutical cocrystal formation has also been monitored directly with Raman and THz spectra. The formation rate is pretty fast in first several 20 min grinding time, and then it becomes slow. After ∼35 min, such process has been almost completed. These results offer us the unique means and benchmark for characterizing the cocrystal conformation from molecule-level and also provide us rich information about the reaction dynamic during cocrystal formation process in pharmaceutical fields.

  8. FTIR, FT-Raman, FT-NMR and quantum chemical investigations of 3-acetylcoumarin

    Science.gov (United States)

    Arjunan, V.; Sakiladevi, S.; Marchewka, M. K.; Mohan, S.

    2013-05-01

    3-Acetylcoumarin (3AC) was synthesised by a Knoevenagel reaction. Conformational analysis using the B3LYP method was also carried out to determine the most stable conformation of the compound. FTIR and FT-Raman spectra of 3AC have been recorded in the range 4000-400 and 4000-100 cm-1, respectively. 1H and 13C NMR spectra have also been recorded. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the experimental FTIR and FT-Raman data and quantum mechanical studies. The experimental vibrational frequencies were compared with the wavenumbers obtained theoretically from the DFT-B3LYP/B3PW91 gradient calculations employing the standard 6-31G**, high level 6-311++G** and cc-pVTZ basis sets for optimised geometry of the compound. The frontier molecular orbital energies of the compound are determined by DFT method.

  9. Investigating the effects of Pentoxifylline on human breast cancer cells using Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Peeyush N. Goel

    2015-03-01

    Full Text Available Breast cancer is one of the leading causes of cancer-related deaths in a global scenario. In the present study, biochemical changes exerted upon Pentoxifylline (PTX treatment had been appraised in human breast cancer cells using Raman spectroscopy. There are no clinically approved methods to monitor such therapeutic responses available. The spectral profiling is suggestive of changes in DNA, protein and lipid contents showing a linear relationship with drug dosage. Further, multivariate analysis using principal-component based linear-discriminant-analysis (PC-LDA was employed for classifying the control and the PTX treated groups. These findings support the feasibility of Raman spectroscopy as an alternate/adjunct label-free, objective method for monitoring drug-induced modifications against breast cancer cells.

  10. Structural changes of human RNase L upon homodimerization investigated by Raman spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Kříž, M.; Snášel, Jan; Kopecký, V. Jr.; Páv, Ondřej; Rosenberg, Ivan; Štepánek, J.

    2012-01-01

    Roč. 1824, č. 9 (2012), s. 1039-1044 ISSN 1570-9639 R&D Projects: GA ČR GA202/09/0193; GA AV ČR KAN200520801 Grant - others:GA AV ČR(CZ) KJB101120805 Program:KJ Institutional support: RVO:61388963 Keywords : RNase L * Raman spectroscopy * DCDR spectroscopy * phosphonate oligoadenylate * ligand binding Subject RIV: BO - Biophysics Impact factor: 3.733, year: 2012

  11. Raman spectroscopy in investigations of mechanism of binding of human serum albumin to molecular probe fluorescein

    International Nuclear Information System (INIS)

    Vlasova, I M; Saletsky, A M

    2008-01-01

    The mechanism of binding of molecular probe fluorescein to molecules of human serum albumin was studied by the Raman spectroscopy method. The position of binding Center on human serum albumin molecule for fluorescein is determined. The amino acid residues of albumin molecule, participating in binding of fluorescein at different pH values of solution, are established. The conformation rearrangements of globules of human serum albumin, taking place at binding of fluorescein at different pH values of solution, are registered

  12. High-pressure Raman investigations of phase transformations in pentaerythritol (C(CH sub 2 OH) sub 4)

    CERN Document Server

    Bhattacharya, T

    2002-01-01

    Our high-pressure Raman scattering experiments on pentaerythritol (C(CH sub 2 OH) sub 4) show that this compound undergoes at least three phase transformations up to 25 GPa. Splitting of various modes at approx 6.3, approx 8.2 and 10 GPa suggests that these phase transformations result in lowering of crystalline symmetry. A very small discontinuous change in slope of most of the Raman-active modes is observed at 0.3 GPa. However, no other signature of a phase transition was observed at this pressure. The observed correlation of the pressures for the onset of the two phase transformations with the limiting values of the distances between various non-bonded atoms in the parent phase suggests that the molecular rearrangements across the phase transformations are not very drastic. In addition, our earlier Fourier transform infrared and present Raman investigations indicate that high-pressure compression leads to increase in strength of the hydrogen bond present in this compound.

  13. Micro-Raman depth profile investigations of beveled Al+-ion implanted 6H-SiC samples

    International Nuclear Information System (INIS)

    Zuk, J.; Romanek, J.; Skorupa, W.

    2009-01-01

    6H-SiC single crystals were implanted with 450 keV Al + -ions to a fluence of 3.4 x 10 15 cm -2 , and in a separate experiment subjected to multiple Al + implantations with the four energies: 450, 240, 115 and 50 keV and different fluences to obtain rectangular-like depth distributions of Al in SiC. The implantations were performed along [0 0 0 1] channeling and non-channeling ('random') directions. Subsequently, the samples were annealed for 10 min at 1650 deg. C in an argon atmosphere. The depth profiles of the implanted Al atoms were obtained by secondary ion mass spectrometry (SIMS). Following implantation and annealing, the samples were beveled by mechanical polishing. Confocal micro-Raman spectroscopic investigations were performed with a 532 nm wavelength laser beam of a 1 μm focus diameter. The technique was used to determine precisely the depth profiles of TO and LO phonon lines intensity in the beveled samples to a depth of about 2000 nm. Micro-Raman spectroscopy was also found to be useful in monitoring very low levels of disorder remaining in the Al + implanted and annealed 6H-SiC samples. The micro-Raman technique combined with sample beveling also made it possible the determination of optical absorption coefficient profiles in implanted subsurface layers.

  14. Electrochemical activation of Li2MnO3 at elevated temperature investigated by in situ Raman microscopy

    International Nuclear Information System (INIS)

    Lanz, Patrick; Villevieille, Claire; Novák, Petr

    2013-01-01

    Layered-layered oxides of the type xLi 2 MnO 3 ·(1 − x)LiMO 2 (M = Mn, Ni, Co) have been postulated to contain Li 2 MnO 3 domains which, upon electrochemical activation, give rise to a characteristic potential plateau at 4.5 V vs. Li + /Li. To improve our understanding of the complex reaction mechanisms at play, we applied in situ Raman microscopy to investigate the constituent Li 2 MnO 3 . Li 2 MnO 3 synthesised via a two-step solid-state reaction was characterised by scanning electron microscopy and X-ray diffraction. Preliminary electrochemical tests and ex situ Raman microscopy showed the need for elevated temperatures to achieve activation. For the first time, in situ Raman microscopy (at 50 °C) confirmed the activation of Li 2 MnO 3 . The main signal at 615 cm −1 shifted to higher wavenumbers upon charging. After reaching 4.4 V vs. Li + /Li, this shift grew significantly, which is in good agreement with the onset of the potential plateau in both Li 2 MnO 3 and xLi 2 MnO 3 ·(1 − x)LiMO 2 , and is assigned to the partial formation of a spinel-like phase

  15. Effect of mechanical stress on the Raman and infrared bands of hydroxylapatite: A quantum mechanical first principle investigation.

    Science.gov (United States)

    Ulian, Gianfranco; Valdrè, Giovanni

    2018-01-01

    The calcium apatite minerals are among the most studied in the biomaterial field because of their similarity with the mineral phase of bone tissues, which is mainly the hexagonal polymorph of hydroxylapatite. Given the growing interest both in the microscopic processes governing the behaviour of these natural biomaterials and in recent experimental methods to investigate the Raman response of hydroxylapatite upon mechanical loading, we report in the present work a detailed quantum mechanical analysis by DFT/B3LYP-D* approach on the Raman and infrared responses of hydroxylapatite upon deformation of its unit cell. From the vibrational results, the piezo-spectroscopic components Δν = Π ij σ ij were calculated. For the first time to the authors' knowledge quantum mechanics (QM) was applied to resolve the piezo-spectroscopic response of hydroxylapatite. The QM results on the uniaxial stress responses of this phase on the piezo-spectroscopic components Π 11 and Π 33 of the symmetric P-O stretching mode were 2.54 ± 0.09cm -1 /GPa and 2.56 ± 0.06cm -1 /GPa, respectively (Raman simulation) and 2.48 ± 0.15cm -1 /GPa and Π 33 = 2.74 ± 0.08cm -1 /GPa, respectively, of the asymmetric P-O stretching (infrared spectroscopy simulation). These results are in excellent agreement with previous experimental data reported in literature. The quantum mechanical analysis of the other vibrational bands (not present in literature) shed more light on this new and very important application of both Raman and IR spectroscopies and extend the knowledge of the behaviour of hydroxylapatite, suggesting and addressing further experimental research and analytic strategy. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Pressure-Raman study of resonant TO(Γ)-two-phonon decay processes in ZnS: Comparison of three isotope compositions

    International Nuclear Information System (INIS)

    Tallman, R.E.; Weinstein, B.A.; Serrano, J.; Lauck, R.; Cardona, M.; Cantarero, A.; Garro, N.; Ritter, T.M.

    2004-01-01

    Pressure-Raman studies (to 15 GPa, at 300 K and 16 K) are reported on 64 Zn 34 S, 68 Zn 32 S, and natural ZnS to compare the effects of resonant 3-phonon mixing on the TO(Γ) phonons for the different isotope compositions. Under pressure the TO(Γ) Raman profiles exhibit several distinct features, and a sharp Lorentzian TO(Γ) peak eventually emerges at a threshold pressure P Th that differs for each isotope composition. These effects are due to resonant mixing of the TO(Γ) phonon with TA+LA combination modes. Calculations based on a bond-charge model and perturbation theory reproduce the observed pressure variations in the shape and the width of the TO(Γ) peaks. It is shown that these changes relate to singularities in the TA+LA density of states. Mass scaling of the TO(Γ) and TA+LA modes explains the isotope effect on P Th , and leads to the estimate γ LA(W) ∝1.2. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Pressure-Raman study of resonant TO({gamma})-two-phonon decay processes in ZnS: Comparison of three isotope compositions

    Energy Technology Data Exchange (ETDEWEB)

    Tallman, R.E.; Weinstein, B.A. [Department of Physics, SUNY at Buffalo, NY 14260-1500 (United States); Serrano, J.; Lauck, R.; Cardona, M. [Max Plank Institut fuer Festkoerperforschung, 70569 Stutgart (Germany); Cantarero, A.; Garro, N. [Institut de Ciencia dels Materials, Universtitat de Valencia, E-46071 Valencia (Spain); Ritter, T.M. [Department of Chemistry and Physics,UNC Pembroke, North Carolina 28372 (United States)

    2004-11-01

    Pressure-Raman studies (to 15 GPa, at 300 K and 16 K) are reported on {sup 64}Zn{sup 34}S, {sup 68}Zn{sup 32}S, and natural ZnS to compare the effects of resonant 3-phonon mixing on the TO({gamma}) phonons for the different isotope compositions. Under pressure the TO({gamma}) Raman profiles exhibit several distinct features, and a sharp Lorentzian TO({gamma}) peak eventually emerges at a threshold pressure P{sub Th} that differs for each isotope composition. These effects are due to resonant mixing of the TO({gamma}) phonon with TA+LA combination modes. Calculations based on a bond-charge model and perturbation theory reproduce the observed pressure variations in the shape and the width of the TO({gamma}) peaks. It is shown that these changes relate to singularities in the TA+LA density of states. Mass scaling of the TO({gamma}) and TA+LA modes explains the isotope effect on P{sub Th}, and leads to the estimate {gamma}{sub LA(W)} {proportional_to}1.2. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. A XANES and Raman investigation of sulfur speciation and structural order in Murchison and Allende meteorites

    Science.gov (United States)

    Bose, M.; Root, R. A.; Pizzarello, S.

    2017-03-01

    Insoluble organic matter (IOM) and hydrothermally treated IOM extracted from two carbonaceous chondrites, Murchison and Allende, was studied using sulfur K-edge XANES (X-ray absorption near edge structure) and μ-Raman spectroscopy, with the aim to understand their IOM's sulfur speciation and structural order, and how aqueous alteration or thermal metamorphism may have transformed these materials. We found that the sulfur-functional group chemistry of both the Murchison IOM and hydrothermally treated IOM samples have a large chemical variability ranging from oxidation states of S-2 to S+6, and exhibit a transformation in their oxidation state after the hydrothermal treatment (HT) to produce thiophenes and thiol compounds. Sulfoxide and sulfite peaks are also present in Murchison. Sulfates considered intrinsic to Murchison are most likely preaccretionary in nature, and not a result of reactions with water at high temperatures on the asteroid parent body. We argue that the reduced sulfides may have formed in the CM parent body, while the thiophenes and thiol compounds are a result of the HT. Micro-Raman spectra show the presence of aliphatic and aromatic moieties in Murchison's material as observed previously, which exhibits no change after HT. Because the Murchison IOM was modified, as seen by XANES analysis, absence of a change observed using micro-Raman indicated that although the alkyl carbons of IOM were cleaved, the aromatic network was not largely modified after HT. By contrast, Allende IOM contains primarily disulfide and elemental sulfur, no organic sulfur, and shows no transformation after HT. This nontransformation of Allende IOM after HT would indicate that parent body alteration of sulfide to sulfate is not feasible up to temperatures of 300°C. The reduced sulfur products indicate extreme secondary chemical processing from the precursor compounds in its parent body at temperatures as high as 624°C, as estimated from μ-Raman D band parameters. The

  19. Structural dynamics of phenylisothiocyanate in the light-absorbing excited states: Resonance Raman and complete active space self-consistent field calculation study

    International Nuclear Information System (INIS)

    Ouyang, Bing; Xue, Jia-Dan; Zheng, Xuming; Fang, Wei-Hai

    2014-01-01

    The excited state structural dynamics of phenyl isothiocyanate (PITC) after excitation to the light absorbing S 2 (A′), S 6 (A′), and S 7 (A′) excited states were studied by using the resonance Raman spectroscopy and complete active space self-consistent field method calculations. The UV absorption bands of PITC were assigned. The vibrational assignments were done on the basis of the Fourier transform (FT)-Raman and FT-infrared measurements, the density-functional theory computations, and the normal mode analysis. The A-, B-, and C-bands resonance Raman spectra in cyclohexane, acetonitrile, and methanol solvents were, respectively, obtained at 299.1, 282.4, 266.0, 252.7, 228.7, 217.8, and 208.8 nm excitation wavelengths to probe the corresponding structural dynamics of PITC. The results indicated that the structural dynamics in the S 2 (A′), S 6 (A′), and S 7 (A′) excited states were very different. The conical intersection point CI(S 2 /S 1 ) were predicted to play important role in the low-lying excited state decay dynamics. Two major decay channels were predicted for PITC upon excitation to the S 2 (A′) state: the radiative S 2,min → S 0 transition and the nonradiative S 2 → S 1 internal conversion via CI(S 2 /S 1 ). The differences in the decay dynamics between methyl isothiocyanate and PITC in the first light absorbing excited state were discussed. The role of the intersystem crossing point ISC(S 1 /T 1 ) in the excited state decay dynamics of PITC is evaluated

  20. Genetic engineering combined with deep UV resonance Raman spectroscopy for structural characterization of amyloid-like fibrils.

    Science.gov (United States)

    Sikirzhytski, Vitali; Topilina, Natalya I; Higashiya, Seiichiro; Welch, John T; Lednev, Igor K

    2008-05-07

    Elucidating the structure of the cross-beta core in large amyloid fibrils is a challenging problem in modern structural biology. For the first time, a set of de novo polypeptides was genetically engineered to form amyloid-like fibrils with similar morphology and yet different strand length. Differential ultraviolet Raman spectroscopy allowed for separation of the spectroscopic signatures of the highly ordered beta-sheet strands and turns of the fibril core. The relationship between Raman frequencies and Ramachandran dihedral angles of the polypeptide backbone indicates the nature of the beta-sheet and turn structural elements.

  1. Investigation of a delayed feedback controller of MEMS resonators

    KAUST Repository

    Masri, Karim M.; Younis, Mohammad I.; Shao, Shuai

    2013-01-01

    Controlling mechanical systems is an important branch of mechanical engineering. Several techniques have been used to control Microelectromechanical systems (MEMS) resonators. In this paper, we study the effect of a delayed feedback controller

  2. Fermi energy dependence of the G-band resonance Raman spectra of single-wall carbon nanotubes

    Czech Academy of Sciences Publication Activity Database

    Park, J. S.; Sasaki, K.; Saito, R.; Izumida, W.; Kalbáč, Martin; Farhat, H.; Dresselhaus, G.; Dresselhaus, M. S.

    2009-01-01

    Roč. 80, č. 8 (2009), 081402-1-081402-4 ISSN 1098-0121 R&D Projects: GA MŠk LC510; GA MŠk ME09060 Institutional research plan: CEZ:AV0Z40400503 Keywords : Fermi energy dependence * Raman spectroscopy * single waled carbon nanotubes Subject RIV: CG - Electrochemistry Impact factor: 3.475, year: 2009

  3. Visible-IR and Raman micro-spectroscopic investigation of three Itokawa particles collected by Hayabusa

    Science.gov (United States)

    Brunetto, R.; Bonal, L.; Beck, P.; Dartois, E.; Dionnet, Z.; Djouadi, Z.; Füri, E.; Kakazu, Y.; Oudayer, P.; Quirico, E.; Engrand, C.

    2014-07-01

    HAYABUSA grains offer a unique perspective to better understand the link between asteroids and cosmomaterials available in the laboratory and to get an insight on the early stages of surface space weathering. The scientific objectives of our consortium are threefold: (i) the characterization of asteroidal surface processes (e.g., space weathering alteration); (ii) the assessment of parent-body alteration processes; (iii) the search for a possible association between S-type asteroids and micrometeorites. To this aim, our strategy is based on a combination of analytical techniques. Here we report a first series of results obtained through Visible-Infrared and Raman spectroscopy of three Itokawa particles (RA-QD02-0163, -0174, and -0213) collected by the Hayabusa spacecraft and provided by JAXA for our consortium. In a first step, our main objective was to collect maximum information without altering the particles. Reported results were thus obtained on the raw particles, both (i) in their original containers, and (ii) deposited on diamond windows. Raman and IR confocal spectra were acquired at the SMIS beamline of the French national synchrotron facility SOLEIL and at the Lyon Raman national facility using spots of 2 μ m for the Raman, and 10--20 μ m for the IR analyses. Point analyses and automatic mapping were performed. Analytical parameters (e.g., laser power on the sample) were optimized to prevent any damage. Diffuse reflectance spectra (i=45°, e=0°) in the visible and near-IR wavelengths were obtained with an IAS-CSNSM in-home system coupling a fiber spectrometer to an optical microscope, providing a 20-μ m spot on sample. In the case of particle -0163, Raman and IR results reveal a heterogeneous mixing of minerals, mostly olivine (Fo76), and Ca-rich (En50, Wo50) and Ca-poor (En85) pyroxenes. The modal distribution of these minerals is determined based on the spectral maps. The mineral compositions of -0163 are consistent with those previously reported on

  4. Investigation of a delayed feedback controller of MEMS resonators

    KAUST Repository

    Masri, Karim M.

    2013-08-04

    Controlling mechanical systems is an important branch of mechanical engineering. Several techniques have been used to control Microelectromechanical systems (MEMS) resonators. In this paper, we study the effect of a delayed feedback controller on stabilizing MEMS resonators. A delayed feedback velocity controller is implemented through modifying the parallel plate electrostatic force used to excite the resonator into motion. A nonlinear single degree of freedom model is used to simulate the resonator response. Long time integration is used first. Then, a finite deference technique to capture periodic motion combined with the Floquet theory is used to capture the stable and unstable periodic responses. We show that applying a suitable positive gain can stabilize the MEMS resonator near or inside the instability dynamic pull in band. We also study the stability of the resonator by tracking its basins of attraction while sweeping the controller gain and the frequency of excitations. For positive delayed gains, we notice significant enhancement in the safe area of the basins of attraction. Copyright © 2013 by ASME.

  5. Staging of nasopharyngeal carcinoma investigated by magnetic resonance imaging

    International Nuclear Information System (INIS)

    Lu Jincheng; Wei Baoqing; Chen Wenzhan; Qian Pudong; Zhang Yiqin; Wei Qing; Cha Wenwu; Li Feng; Ni Ming

    2006-01-01

    Background and purpose: To investigate the American Joint Commission on Cancer (AJCC) sixth edition staging system of nasopharyngeal carcinoma (NPC) by Magnetic Resonance Imaging (MRI). Patients and methods: One hundred and fifty-nine non-disseminated biopsy-proven NPC patients were studied with MRI before treatment. Retrieval of MRI information enabled us to restage all patients accurately according to the sixth edition of the AJCC staging system. Splitting the respective T and N stages by the significant defining factors identified, the cancer death hazard ratios were modeled by the Cox model in SPSS 10.0 for windows (SPSS Inc, Chicago, IL). Results: Single site of skull base abnormality (HR=3.91, 95% CI: 0.74-20.56) has a superior result to others involved in T3 (HR=5.83, 95% CI: 1.24-27.29). Involvement of either anterior or posterior cranial nerves solely (HR=6.02, 95% CI: 1.55-35.60) was not found to be as a poor prognostic indicator as others involved in T4 (HR=7.81, 95% CI: 1.81-33.63). Less than or equal to 3 cm of N1 (HR=4.01, 95% CI: 0.48-33.83) and N2 (HR=4.72, 95% CI: 0.62-35.78) have a better result than >3 cm of N1 (HR=8.09, 95% CI: 0.95-68.97) and N2 (HR=10.58, 95% CI: 1.32-84.62), respectively. Conclusions: Perhaps, it is better to down-stage single site of skull base abnormality from T3 to T2, and involvement of either anterior or posterior cranial nerves solely from T4 to T3, meanwhile, ≤3 cm of N2 down-stage to N1, >3 cm of N1 up-stage to N2

  6. Vibrational spectrum of the K-590 intermediate in the bacteriorhodopsin photocycle at room temperature: picosecond time-resolved resonance coherent anti-Raman spectroscopy

    Science.gov (United States)

    Ujj, L.; Jäger, F.; Popp, A.; Atkinson, G. H.

    1996-12-01

    The vibrational spectrum of the K-590 intermediate, thought to contribute significantly to the energy storage and transduction mechanism in the bacteriorhodopsin (BR) photocycle, is measured at room temperature using picosecond time-resolved resonance coherent anti-Stokes Raman scattering (PTR/CARS). The room-temperature BR photocycle is initiated by the 3 ps, 570 nm excitation of the ground-state species, BR-570, prepared in both H 2O and D 2O suspensions of BR. PTR/CARS data, recorded 50 ps after BR-570 excitation, at which time only BR-570 and K-590 are present, have an excellent S/N which provides a significantly more detailed view of the K-590 vibrational degrees of freedom than previously available. Two picosecond (6 ps FWHM) laser pulses, ω1 (633.4 nm) and ωS (675-700 nm), are used to record PTR/CARS data via electronic resonance enhancement in both BR-570 and K-590, each of which contains a distinct retinal structure (assigned as 13- rans, 15- anti, 13- cis, respectively). To obtain the vibrational spectrum of K-590 separately, the PTR/CARS spectra from the mixture of isomeric retinals is quantitatively analyzed in terms of third-order susceptibility ( η(3)) relationships. PTR/CARS spectra of K-590 recorded from both H 2O and D 2O suspensions of BR are compared with the analogous vibrational data obtained via spontaneous resonance Raman (RR) scattering at both low (77 K) and room temperature. Analyses of these vibrational spectra identify temperature-dependent effects and changes assignable to the substitution of deuterium at the Schiff-base nitrogen not previously reported.

  7. Direct visual evidence of end-on adsorption geometry of pyridine on silver surface investigated by surface enhanced Raman scattering and density functional theory calculations.

    Science.gov (United States)

    Bhunia, Snehasis; Forster, Stefan; Vyas, Nidhi; Schmitt, Hans-Christian; Ojha, Animesh K

    2015-12-05

    Fourier transform Raman (FT-Raman) spectra of neat pyridine (Py) and surface enhanced Raman scattering (SERS) spectra of Py with silver nanoparticles (AgNPs) solution at different molar concentrations (X=1.5M, 1.0M, 0.50 M, 0.25 M, and 0.125 M) were recorded using 1064 nm excitation wavelength. The intensity of Raman bands at ∼1003 (ν11) and ∼1035 (ν21) cm(-1) of Py is enhanced in the SERS spectra. Two new Raman bands were observed at ∼1009 (ν12) and ∼1038 (ν22) cm(-1) in the SERS spectra. These bands correspond to the ring breathing vibrations of Py molecules adsorbed at the AgNPs surface. The value of intensity ratios (I12/I11) and (I21/I22) is increased with dilution and attains a maximum value at X=0.5M and upon further dilution (0.25 and 0.125 M) it drops gradually. The theoretically calculated Raman spectra were found to be in good agreement with experimentally observed Raman spectra. Both, experimental and theoretical investigations have confirmed that the Py interacts with AgNPs via the end-on geometry. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. [Application of Raman spectroscopy to investigation of CVD-SIC fiber].

    Science.gov (United States)

    Liu, Bin; Yang, Yan-Qing; Luo, Xian; Huang, Bin

    2011-11-01

    The CVD-SiC fiber was studied by using laser Raman spectra. It was found that the sharp TO peak exists in the first SiC deposit layer, indicating the larger SiC grains. But the second SiC deposit layer is with small grains. Raman peak of carbon and silicon was detected respectively in the first and second layer. Compared with that of the single SiC fiber, the TO peaks move to the high wave number for the SiC fiber in SiC(f)/Ti-6Al-4V composite. It indicates that the compressive thermal residual stress is present in the SiC fiber during the fabrication of the composite because of the mismatched coefficient of thermal expansion between Ti-6Al-4V matrix and SiC fiber. The average thermal residual stress of the SiC fiber in SiC(f)/Ti-6Al-4V composite was calculated to be 318 MPa and the residual stress in first deposit layer is 436 MPa which is much higher than that in the second layer.

  9. FTIR, FT-Raman, FT-NMR and quantum chemical investigations of 3-acetylcoumarin.

    Science.gov (United States)

    Arjunan, V; Sakiladevi, S; Marchewka, M K; Mohan, S

    2013-05-15

    3-Acetylcoumarin (3AC) was synthesised by a Knoevenagel reaction. Conformational analysis using the B3LYP method was also carried out to determine the most stable conformation of the compound. FTIR and FT-Raman spectra of 3AC have been recorded in the range 4000-400 and 4000-100 cm(-1), respectively. (1)H and (13)C NMR spectra have also been recorded. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the experimental FTIR and FT-Raman data and quantum mechanical studies. The experimental vibrational frequencies were compared with the wavenumbers obtained theoretically from the DFT-B3LYP/B3PW91 gradient calculations employing the standard 6-31G(**), high level 6-311++G(**) and cc-pVTZ basis sets for optimised geometry of the compound. The frontier molecular orbital energies of the compound are determined by DFT method. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Volume properties and spectroscopy: A terahertz Raman investigation of hen egg white lysozyme

    Science.gov (United States)

    Sassi, Paola; Perticaroli, Stefania; Comez, Lucia; Giugliarelli, Alessandra; Paolantoni, Marco; Fioretto, Daniele; Morresi, Assunta

    2013-12-01

    The low frequency depolarized Raman spectra of 100 mg/ml aqueous solutions of hen egg white lysozyme (HEWL) have been collected in the 25-85 °C range. Short and long exposures to high temperatures have been used to modulate the competition between the thermally induced reversible and irreversible denaturation processes. A peculiar temperature evolution of spectra is evidenced under prolonged exposure of the protein solution at temperatures higher than 65 °C. This result is connected to the self-assembling of polypeptide chains and testifies the sensitivity of the technique to the properties of both protein molecule and its surrounding. Solvent free spectra have been obtained after subtraction of elastic and solvent components and assigned to a genuine vibrational contribution of hydrated HEWL. A straight similarity is observed between the solvent-free THz Raman feature and the vibrational density of states as obtained by molecular dynamics simulations; according to this, we verify the relation between this spectroscopic observable and the effective protein volume, and distinguish the properties of this latter respect to those of the hydration shell in the pre-melting region.

  11. Investigating resonances above and below the threshold in nuclear reactions of astrophysical interest and beyond

    Energy Technology Data Exchange (ETDEWEB)

    La Cognata, M., E-mail: lacognata@lns.infn.it [Laboratori Nazionali del Sud - INFN, Catania (Italy); Kiss, G. G. [ATOMKI, Debrecen (Hungary); Mukhamedzhanov, A. M. [Cyclotron Institute, Texas A& M University, College Station, Texas (United States); Spitaleri, C. [Laboratori Nazionali del Sud - INFN, Catania (Italy); Department of Physics and Astronomy, University of Catania, Catania (Italy); Trippella, O. [Sezione di Perugia - INFN, Perugia (Italy)

    2015-10-15

    Resonances in nuclear cross sections dramatically change their trends. Therefore, the presence of unexpected resonances might lead to unpredicted consequences on astrophysics and nuclear physics. In nuclear physics, resonances allow one to study states in the intermediate compound systems, to evaluate their cluster structure, for instance, especially in the energy regions approaching particle decay thresholds. In astrophysics, resonances might lead to changes in the nucleosynthesis flow, determining different isotopic compositions of the nuclear burning ashes. For these reasons, the Trojan Horse method has been modified to investigate resonant reactions. Thanks to this novel approach, for the first time normalization to direct data might be avoided. Moreover, in the case of sub threshold resonances, the Trojan Horse method modified to investigate resonances allows one to deduce the asymptotic normalization coefficient, showing the close connection between the two indirect approaches.

  12. Resonance Raman study on the structure of the active sites of microsomal cytochrome P-450 isozymes LM2 and LM4.

    Science.gov (United States)

    Hildebrandt, P; Greinert, R; Stier, A; Taniguchi, H

    1989-12-08

    The isozymes 2 and 4 of rabbit microsomal cytochrome P-450 (LM2, LM4) have been studied by resonance Raman spectroscopy. Based on high quality spectra, a vibrational assignment of the porphyrin modes in the frequency range between 100-1700 cm-1 is presented for different ferric states of cytochrome P-450 LM2 and LM4. The resonance Raman spectra are interpreted in terms of the spin and ligation state of the heme iron and of heme-protein interactions. While in cytochrome P-450 LM2 the six-coordinated low-spin configuration is predominantly occupied, in the isozyme LM4 the five-coordinated high-spin form is the most stable state. The different stability of these two spin configurations in LM2 and LM4 can be attributed to the structures of the active sites. In the low-spin form of the isozymes LM4 the protein matrix forces the heme into a more rigid conformation than in LM2. These steric constraints are removed upon dissociation of the sixth ligand leading to a more flexible structure of the active site in the high-spin form of the isozyme LM4. The vibrational modes of the vinyl groups were found to be characteristic markers for the specific structures of the heme pockets in both isozymes. They also respond sensitively to type-I substrate binding. While in cytochrome P-450 LM4 the occupation of the substrate-binding pocket induces conformational changes of the vinyl groups, as reflected by frequency shifts of the vinyl modes, in the LM2 isozyme the ground-state conformation of these substituents remain unaffected, suggesting that the more flexible heme pocket can accommodate substrates without imposing steric constraints on the porphyrin. The resonance Raman technique makes structural changes visible which are induced by substrate binding in addition and independent of the changes associated with the shift of the spin state equilibrium: the high-spin states in the substrate-bound and substrate-free enzyme are structurally different. The formation of the inactive form

  13. Infrared, Raman and Magnetic Resonance Spectroscopic study of SiO.sub.2./sub.:C nanopowders

    Czech Academy of Sciences Publication Activity Database

    Savchenko, Dariia; Vorlíček, Vladimír; Kalabukhova, E.; Sitnikov, A.; Vasin, A.; Kysil, D.; Sevostianov, S.; Tertykh, V.; Nazarov, A.

    2017-01-01

    Roč. 12, č. 1 (2017), 1-12, č. článku 292. ISSN 1931-7573 R&D Projects: GA MŠk LO1409; GA MŠk LM2015088 Institutional support: RVO:68378271 Keywords : EPR * Raman spectroscopy * carbosil * carbon nanodots * carbon-related defects Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.)

  14. Solid state nuclear magnetic resonance investigations of advanced energy materials

    Science.gov (United States)

    Bennett, George D.

    In order to better understand the physical electrochemical changes that take place in lithium ion batteries and asymmetric hybrid supercapacitors solid state nuclear magnetic resonance (NMR) spectroscopy has been useful to probe and identify changes on the atomic and molecular level. NMR is used to characterize the local environment and investigate the dynamical properties of materials used in electrochemical storage devices (ESD). NMR investigations was used to better understand the chemical composition of the solid electrolyte interphase which form on the negative and positive electrodes of lithium batteries as well as identify the breakdown products that occur in the operation of the asymmetric hybrid supercapacitors. The use of nano-structured particles in the development of new materials causes changes in the electrical, structural and other material properties. NMR was used to investigate the affects of fluorinated and non fluorinated single wall nanotubes (SWNT). In this thesis three experiments were performed using solid state NMR samples to better characterize them. The electrochemical reactions of a lithium ion battery determine its operational profile. Numerous means have been employed to enhance battery cycle life and operating temperature range. One primary means is the choice and makeup of the electrolyte. This study focuses on the characteristics of the solid electrolyte interphase (SEI) that is formed on the electrodes surface during the charge discharge cycle. The electrolyte in this study was altered with several additives in order to determine the influence of the additives on SEI formation as well as the intercalation and de-intercalation of lithium ions in the electrodes. 7Li NMR studies where used to characterize the SEI and its composition. Solid state NMR studies of the carbon enriched acetonitrile electrolyte in a nonaqueous asymmetric hybrid supercapacitor were performed. Magic angle spinning (MAS) coupled with cross polarization NMR

  15. Mixture analysis with laser raman spctroscopy

    International Nuclear Information System (INIS)

    Kim, M.S.; Bark, G.M.

    1981-01-01

    Trace amount of methyl orange was determined in colored medium by resonance Raman spectrometry. Without major modification of a commercial laser Raman spectrometer, the resonance Raman active molecule could be determined satisfactorily in 10sup(-5)M range when the background fluorescence was more than 20 times stronger than the signal. Use of fluorescence quenching agent was found helpful to improve the Raman signal. Suggestions for the improvement of analytical method is presented. (Author)

  16. Investigation of melt structure and crystallization processes by high-temperature Raman spectroscopy method

    International Nuclear Information System (INIS)

    Voron'ko, Yu.K.; Kudryavtsev, A.B.; Osiko, V.V.; Sobol', A.A.

    1988-01-01

    A review of studies dealing with the melts of alkali, rare earth and other element phosphates, gallates, germanates, niobates and tungstates, which are carried out by the method of high-temperature Raman spectroscopy, is given. The effect of the melt structure on the mechanism of the substance cystallization is considered. It is shown that vitrification and supercooling of the melt, as well as its crystallization in the from of metastable structures, are related to the effect of nonconformity between the melt and crystal strucure. The effect of nonconformity between anion motives in the melt and crystal creates obstacles for equilibrium structure nucleation, which results in the formation mainly of metastable forms with lattice structure for from the structure of the melt, though cases of equilibrium phase crystallization are also possible. 37 refs.; 13 figs.; 2 tabs

  17. Schwinger–Keldysh canonical formalism for electronic Raman scattering

    Energy Technology Data Exchange (ETDEWEB)

    Su, Yuehua, E-mail: suyh@ytu.edu.cn

    2016-03-01

    Inelastic low-energy Raman and high-energy X-ray scatterings have made great progress in instrumentation to investigate the strong electronic correlations in matter. However, theoretical study of the relevant scattering spectrum is still a challenge. In this paper, we present a Schwinger–Keldysh canonical perturbation formalism for the electronic Raman scattering, where all the resonant, non-resonant and mixed responses are considered uniformly. We show how to use this formalism to evaluate the cross section of the electronic Raman scattering off an one-band superconductor. All the two-photon scattering processes from electrons, the non-resonant charge density response, the elastic Rayleigh scattering, the fluorescence, the intrinsic energy-shift Raman scattering and the mixed response, are included. In the mean-field superconducting state, Cooper pairs contribute only to the non-resonant response. All the other responses are dominated by the single-particle excitations and are strongly suppressed due to the opening of the superconducting gap. Our formalism for the electronic Raman scattering can be easily extended to study the high-energy resonant inelastic X-ray scattering.

  18. Structure and reactivity of thiazolium azo dyes: UV-visible, resonance Raman, NMR, and computational studies of the reaction mechanism in alkaline solution.

    Science.gov (United States)

    Abbott, Laurence C; Batchelor, Stephen N; Moore, John N

    2013-03-07

    UV-visible absorption, resonance Raman, and (1)H NMR spectroscopy, allied with density functional theory (DFT) calculations, have been used to study the structure, bonding, and alkaline hydrolysis mechanism of the cationic thiazloium azo dye, 2-[2-[4-(diethylamino)phenyl]diazenyl]-3-methyl-thiazolium (1a), along with a series of six related dyes with different 4-dialkylamino groups and/or other phenyl ring substituents (2a-c, 3a-c) and the related isothiazolium azo dye, 5-[2-[4-(dimethylamino)phenyl]diazenyl]-2-methyl-isothiazolium (4). These diazahemicyanine dyes are calculated to have a similar low-energy structure that is cis, trans at the (iso)thiazolium-azo group, and for which the calculated Raman spectra provide a good match with the experimental data; the calculations on these structures are used to assign and discuss the transitions giving rise to the experimental spectra, and to consider the bonding and its variation between the dyes. UV-visible, Raman, and NMR spectra recorded from minutes to several weeks after raising the pH of an aqueous solution of 1a to ca. 11.5 show that the dominant initial step in the reaction is loss of diethylamine to produce a quinonimine (ca. hours), with subsequent reactions occurring on longer time scales (ca. days to weeks); kinetic analyses give a rate constant of 2.6 × 10(-2) dm(3) mol(-1) s(-1) for reaction of 1a with OH(-). UV-visible spectra recorded on raising the pH of the other dyes in solution show similar changes that are attributed to the same general reaction mechanism, but with different rate constants for which the dependence on structure is discussed.

  19. Resonance Raman study on photoreduction of cytochrome c oxidase: distinction of cytochromes a and a3 in the intermediate oxidation states.

    Science.gov (United States)

    Ogura, T; Yoshikawa, S; Kitagawa, T

    1985-12-17

    Occurrence of photoreduction of bovine cytochrome c oxidase was confirmed with the difference absorption spectra and oxygen consumption measurements for the enzyme irradiated with laser light at 406.7, 441.6, and 590 nm. The resonance Raman spectra were obtained under the same experimental conditions as those adopted for the measurements of oxygen consumption and difference absorption spectra. The photoreduction was more effective upon irradiation at shorter wavelengths and was irreversible under anaerobic conditions. However, upon aeration into the cell, the original oxidized form was restored. It was found that aerobic laser irradiation produces a photo steady state of the catalytic dioxygen reduction and that the Raman scattering from this photo steady state probes cytochrome a2+ and cytochrome a3(3)+ separately upon excitations at 441.6 and 406.7 nm, respectively. The enzyme was apparently protected from the photoreduction in the spinning cell with the spinning speed between 1 and 1500 rpm. These results were explained satisfactorily with the reported rate constant for the electron transfer from cytochrome a to cytochrome a3 (0.58 s-1) and a comparable photoreduction rate of cytochrome a. The anaerobic photoreduction did give Raman lines at 1666 and 214 cm-1, which are characteristic of the ferrous high-spin cytochrome a3(2)+, but they were absent under aerobic photoreduction. The formyl CH = O stretching mode of the a3 heme was observed at 1671 cm-1 for a2+a3(2)+CO but at 1664 cm-1 for a2+a3(2)+CN-, indicating that the CH = O stretching frequency reflects the pi back-donation to the axial ligand similar to the oxidation state marker line (v4).

  20. Investigation of the Brill transition in nylon 6,6 by Raman, THz-Raman, and two-dimensional correlation spectroscopy.

    Science.gov (United States)

    Bertoldo Menezes, D; Reyer, A; Musso, M

    2018-02-05

    The Brill transition is a phase transition process in polyamides related with structural changes between the hydrogen bonds of the lateral functional groups (CO) and (NH). In this study, we have used the potential of Raman spectroscopy for exploring this phase transition in polyamide 6,6 (nylon 6,6), due to the sensitivity of this spectroscopic technique to small intermolecular changes affecting vibrational properties of relevant functional groups. During a step by step heating and cooling process of the sample we collected Raman spectra allowing us from two-dimensional Raman correlation spectroscopy to identify which spectral regions suffered the largest influence during the Brill transition, and from Terahertz Stokes and anti-Stokes Raman spectroscopy to obtain complementary information, e.g. on the temperature of the sample. This allowed us to grasp signatures of the Brill transition from peak parameters of vibrational modes associated with (CC) skeletal stretches and (CNH) bending, and to verify the Brill transition temperature at around 160°C, as well as the reversibility of this phase transition. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Raman and fluorescence contributions to the resonant inelastic soft x-ray scattering on LaAlO3/SrTiO3 heterostructures

    Science.gov (United States)

    Pfaff, F.; Fujiwara, H.; Berner, G.; Yamasaki, A.; Niwa, H.; Kiuchi, H.; Gloskovskii, A.; Drube, W.; Gabel, J.; Kirilmaz, O.; Sekiyama, A.; Miyawaki, J.; Harada, Y.; Suga, S.; Sing, M.; Claessen, R.

    2018-01-01

    We present a detailed study of the Ti 3 d carriers at the interface of LaAlO3/SrTiO3 heterostructures by high-resolution resonant inelastic soft x-ray scattering (RIXS), with special focus on the roles of overlayer thickness and oxygen vacancies. Our measurements show the existence of interfacial Ti 3 d electrons already below the critical thickness for conductivity. The (total) interface charge carrier density increases up to a LaAlO3 overlayer thickness of 6 unit cells before it levels out. Furthermore, we observe strong Ti 3 d charge carrier doping by oxygen vacancies. The RIXS data combined with photoelectron spectroscopy and transport measurements indicate the simultaneous presence of localized and itinerant charge carriers. At variance with previous interpretations, we show that in our excitation energy dependent RIXS measurements the amounts of localized and itinerant Ti 3 d electrons in the ground state do not scale with the intensities of the Raman and fluorescence peaks, respectively. Rather, we attribute the observation of either Raman components or fluorescence signal to the specific nature of the intermediate state reached in the RIXS excitation process.

  2. Functional Single-Cell Approach to Probing Nitrogen-Fixing Bacteria in Soil Communities by Resonance Raman Spectroscopy with 15N2 Labeling.

    Science.gov (United States)

    Cui, Li; Yang, Kai; Li, Hong-Zhe; Zhang, Han; Su, Jian-Qiang; Paraskevaidi, Maria; Martin, Francis L; Ren, Bin; Zhu, Yong-Guan

    2018-04-17

    Nitrogen (N) fixation is the conversion of inert nitrogen gas (N 2 ) to bioavailable N essential for all forms of life. N 2 -fixing microorganisms (diazotrophs), which play a key role in global N cycling, remain largely obscure because a large majority are uncultured. Direct probing of active diazotrophs in the environment is still a major challenge. Herein, a novel culture-independent single-cell approach combining resonance Raman (RR) spectroscopy with 15 N 2 stable isotope probing (SIP) was developed to discern N 2 -fixing bacteria in a complex soil community. Strong RR signals of cytochrome c (Cyt c, frequently present in diverse N 2 -fixing bacteria), along with a marked 15 N 2 -induced Cyt c band shift, generated a highly distinguishable biomarker for N 2 fixation. 15 N 2 -induced shift was consistent well with 15 N abundance in cell determined by isotope ratio mass spectroscopy. By applying this biomarker and Raman imaging, N 2 -fixing bacteria in both artificial and complex soil communities were discerned and imaged at the single-cell level. The linear band shift of Cyt c versus 15 N 2 percentage allowed quantification of N 2 fixation extent of diverse soil bacteria. This single-cell approach will advance the exploration of hitherto uncultured diazotrophs in diverse ecosystems.

  3. Resonant Raman scattering in Nd2O3 and the electronic structure of Sr2RuO4 studied by synchrotron radiation excitation

    International Nuclear Information System (INIS)

    Ederer, D. L.

    1998-01-01

    This paper is intended to illustrate two points. The first being the extensive growth of resonant Raman soft x-ray scattering due to the emergence of third-generation x-ray sources. With these sources, the ubiquitous presence of Raman scattering near the 3d and 4d ionization thresholds has been used to elucidate the excitation process in a number of rare earth and transition metal compounds. Such scattering can produce dramatic changes in the emission spectrum, as we show in our example of inelastic scattering at the 3d threshold of Nd 2 O 3 . Photon-in photon-out soft x-ray spectroscopy is adding a new dimension to soft x-ray spectroscopy by providing many opportunities for exciting research, especially at third-generation synchrotrons light sources. Second, it is very effective to use theory and experiment to characterize the electronic properties of materials. In particular we confirmed in-plane oxygen-ruthenium bonding in Sr 2 RuO 4 , this first copperless perovskite superconductor, by analyses using calculations, soft x-ray emission spectroscopy (SXE) and photoelectron spectroscopy (PES). Measurements of this type illustrate the importance of combining SXE and PES measurements with theoretical calculations

  4. Fourier Transform Infrared (FTIR) Spectroscopy, Ultraviolet Resonance Raman (UVRR) Spectroscopy, and Atomic Force Microscopy (AFM) for Study of the Kinetics of Formation and Structural Characterization of Tau Fibrils.

    Science.gov (United States)

    Ramachandran, Gayathri

    2017-01-01

    Kinetic studies of tau fibril formation in vitro most commonly employ spectroscopic probes such as thioflavinT fluorescence and laser light scattering or negative stain transmission electron microscopy. Here, I describe the use of Fourier transform infrared (FTIR) spectroscopy, ultraviolet resonance Raman (UVRR) spectroscopy, and atomic force microscopy (AFM) as complementary probes for studies of tau aggregation. The sensitivity of vibrational spectroscopic techniques (FTIR and UVRR) to secondary structure content allows for measurement of conformational changes that occur when the intrinsically disordered protein tau transforms into cross-β-core containing fibrils. AFM imaging serves as a gentle probe of structures populated over the time course of tau fibrillization. Together, these assays help further elucidate the structural and mechanistic complexity inherent in tau fibril formation.

  5. Holographic Raman lidar

    International Nuclear Information System (INIS)

    Andersen, G.

    2000-01-01

    Full text: We have constructed a Raman lidar system that incorporates a holographic optical element. By resolving just 3 nitrogen lines in the Resonance Raman spectroscopy (RRS) spectrum, temperature fits as good as 1% at altitudes of 20km can be made in 30 minutes. Due to the narrowband selectivity of the HOE, the lidar provides measurements over a continuous 24hr period. By adding a 4th channel to capture the Rayleigh backscattered light, temperature profiles can be extended to 80km

  6. Raman Spectroscopy and Electrochemical Investigations of Pt Electrocatalyst Supported on Carbon Prepared through Plasma Pyrolysis of Natural Gas

    Directory of Open Access Journals (Sweden)

    Tereza Cristina Santos Evangelista

    2015-01-01

    Full Text Available Physicochemical and electrochemical characterisations of Pt-based electrocatalysts supported on carbon (Vulcan carbon, C1, and carbon produced by plasma pyrolysis of natural gas, C2 toward ethanol electrooxidation were investigated. The Pt20/C180 and Pt20/C280 electrocatalysts were prepared by thermal decomposition of polymeric precursors at 350°C. The electrochemical and physicochemical characterisations of the electrocatalysts were performed by means of X-ray diffraction (XRD, transmission electron microscope (TEM, Raman scattering, cyclic voltammetry, and chronoamperometry tests. The XRD results show that the Pt-based electrocatalysts present platinum metallic which is face-centered cubic structure. The results indicate that the Pt20/C180 electrocatalyst has a smaller particle size (10.1–6.9 nm compared with the Pt20/C280 electrocatalyst; however, the Pt20/C280 particle sizes are similar (12.8–10.4 nm and almost independent of the reflection planes, which suggests that the Pt crystallites grow with a radial shape. Raman results reveal that both Vulcan carbon and plasma carbon are graphite-like materials consisting mostly of sp2 carbon. Cyclic voltammetry and chronoamperometry data obtained in this study indicate that the deposition of Pt on plasma carbon increases its electrocatalytic activity toward ethanol oxidation reaction.

  7. Quality measurements of resonance cavities in behalf of investigation of microwave properties of superconducting materials

    International Nuclear Information System (INIS)

    Dekkers, G.; Ridder, M. de.

    1988-01-01

    A method for investigating conducting properties at microwave frequencies of superconducting materials by means of quality measurements of a resonance cavity is described. The method is based on the direct relationship of the quality factor of a resonance circuit, in this case a resonance cavity, with the losses in the circuit. In a resonance cavity these losses are caused by the material properties of the resonance cavity. Therefore quality measurements yield, essentially, a possibility for investigation of conducting properties of materials. The underlying theory of the subject, the design of a special resonance cavity, the measuring methods and the accuracy in the relation of the measured quality factor and the specific conductivity of the material is presented. refs.; figs.; tabs

  8. Investigation of lipid homeostasis in living Drosophila by coherent anti-Stokes Raman scattering microscopy

    Science.gov (United States)

    Chien, Cheng-Hao; Chen, Wei-Wen; Wu, June-Tai; Chang, Ta-Chau

    2012-12-01

    To improve our understanding of lipid metabolism, Drosophila is used as a model animal, and its lipid homeostasis is monitored by coherent anti-Stokes Raman scattering microscopy. We are able to achieve in vivo imaging of larval fat body (analogous to adipose tissue in mammals) and oenocytes (analogous to hepatocytes) in Drosophila larvae at subcellular level without any labeling. By overexpressing two lipid regulatory proteins-Brummer lipase (Bmm) and lipid storage droplet-2 (Lsd-2)-we found different phenotypes and responses under fed and starved conditions. Comparing with the control larva, we observed more lipid droplet accumulation by ˜twofold in oenocytes of fat-body-Bmm-overexpressing (FB-Bmm-overexpressing) mutant under fed condition, and less lipid by ˜fourfold in oenocytes of fat-body-Lsd-2-overexpressing (FB-Lsd-2-overexpressing) mutant under starved condition. Moreover, together with reduced size of lipid droplets, the lipid content in the fat body of FB-Bmm-overexpressing mutant decreases much faster than that of the control and FB-Lsd-2-overexpressing mutant during starvation. From long-term starvation assay, we found FB-Bmm-overexpressing mutant has a shorter lifespan, which can be attributed to faster consumption of lipid in its fat body. Our results demonstrate in vivo observations of direct influences of Bmm and Lsd-2 on lipid homeostasis in Drosophila larvae.

  9. Investigation of dodecane in three-dimensional porous graphene sponge by Raman mapping

    International Nuclear Information System (INIS)

    Guo, Xitao; Zafar, Amina; Shi, Zhixiang; Ni, Zhenhua; Bi, Hengchang; Sun, Litao; Liang, Zheng

    2016-01-01

    Three-dimensional (3D) carbon nano-materials, e.g. a graphene sponge (GS) are promising candidates for the removal of pollutants and the separation of oil and water. A systematic study on how oils or organic solvents disperse in the porous structures of 3D carbon nano-materials, and the factors affecting their sorption process, would be beneficial for designing a superior sorbent with desirable porous structures. Here, confocal Raman spectroscopic imaging was utilized to explore the absorption and desorption processes of dodecane (a constituent in petroleum products) in 3D porous GS with different pore size. It was found that dodecane predominately locates within the interior pores composed of reduced graphene oxide (rGO) sheets, which provide storage spaces for the absorbed molecules. The larger pore GS has a higher absorption capacity and faster desorption rate compared to the smaller one, which is due to the higher pore volume and weaker interaction with the absorbed molecules. A possible mechanism was also proposed to explain the role of porous macrostructures on the absorption and desorption properties of GSs. (paper)

  10. Investigation of Surface Enhanced Coherent Raman Scattering on Nano-patterned Insect Wings

    Science.gov (United States)

    Ujj, Laszlo; Lawhead, Carlos

    2015-03-01

    Many insect wings (cicadas, butterflies, mosquitos) poses nano-patterned surface structure. Characterization of surface morphology and chemical composition of insect wings is important to understand the extreme mechanical properties and the biophysical functionalities of the wings. We have measured the image of the membrane of a cicada's wing with the help of Scanning Electron Microscopy (SEM). The results confirm the existing periodic structure of the wing measured previously. In order to identify the chemical composition of the wing, we have deposited silver nanoparticles on it and applied Coherent anti-Stokes Raman Spectroscopy to measure the vibrational spectra of the molecules comprising the wing for the first time. The measured spectra are consistent with the original assumption that the wing membrane is composed of protein, wax, and chitin. The results of these studies can be used to measure other nano-patterned surfaces and to make artificial materials in the future. Authors grateful for financial support from the Department of Physics of the College of Sciences Engineering and Health of UWF and the Pall Corporation for SEM imaging.

  11. Structural and vibrational spectral investigations of melaminium maleate monohydrate by FTIR, FT-Raman and quantum chemical calculations

    Science.gov (United States)

    Arjunan, V.; Kalaivani, M.; Marchewka, M. K.; Mohan, S.

    2013-04-01

    The structural investigations of the molecular complex of melamine with maleic acid, namely melaminium maleate monohydrate have been carried out by quantum chemical methods in addition to FTIR, FT-Raman and far-infrared spectral studies. The quantum chemical studies were performed with DFT (B3LYP) method using 6-31G**, cc-pVDZ and 6-311++G** basis sets to determine the energy, structural and thermodynamic parameters of melaminium maleate monohydrate. The hydrogen atom from maleic acid was transferred to the melamine molecule giving the singly protonated melaminium cation. The ability of ions to form spontaneous three-dimensional structure through weak Osbnd H⋯O and Nsbnd H⋯O hydrogen bonds shows notable vibrational effects.

  12. Structural and vibrational spectral investigations of melaminium maleate monohydrate by FTIR, FT-Raman and quantum chemical calculations.

    Science.gov (United States)

    Arjunan, V; Kalaivani, M; Marchewka, M K; Mohan, S

    2013-04-15

    The structural investigations of the molecular complex of melamine with maleic acid, namely melaminium maleate monohydrate have been carried out by quantum chemical methods in addition to FTIR, FT-Raman and far-infrared spectral studies. The quantum chemical studies were performed with DFT (B3LYP) method using 6-31G(**), cc-pVDZ and 6-311++G(**) basis sets to determine the energy, structural and thermodynamic parameters of melaminium maleate monohydrate. The hydrogen atom from maleic acid was transferred to the melamine molecule giving the singly protonated melaminium cation. The ability of ions to form spontaneous three-dimensional structure through weak OH···O and NH···O hydrogen bonds shows notable vibrational effects. Copyright © 2013 Elsevier B.V. All rights reserved.

  13. Raman-microscopy investigation of vitrification-induced structural damages in mature bovine oocytes.

    Directory of Open Access Journals (Sweden)

    Giulia Rusciano

    Full Text Available Although oocyte cryopreservation has great potentials in the field of reproductive technologies, it still is an open challenge in the majority of domestic animals and little is known on the biochemical transformation induced by this process in the different cellular compartments. Raman micro-spectroscopy allows the non-invasive evaluation of the molecular composition of cells, based on the inelastic scattering of laser photons by vibrating molecules. The aim of this work was to assess the biochemical modifications of both the zona pellucida and cytoplasm of vitrified/warmed in vitro matured bovine oocytes at different post-warming times. By taking advantage of Principal Component Analysis, we were able to shed light on the biochemical transformation induced by the cryogenic treatment, also pointing out the specific role of cryoprotective agents (CPs. Our results suggest that vitrification induces a transformation of the protein secondary structure from the α-helices to the β-sheet form, while lipids tend to assume a more packed configuration in the zona pellucida. Both modifications result in a mechanical hardening of this cellular compartment, which could account for the reduced fertility rates of vitrified oocytes. Furthermore, biochemical modifications were observed at the cytoplasmic level in the protein secondary structure, with α-helices loss, suggesting cold protein denaturation. In addition, a decrease of lipid unsaturation was found in vitrified oocytes, suggesting oxidative damages. Interestingly, most modifications were not observed in oocytes exposed to CPs, suggesting that they do not severely affect the biochemical architecture of the oocyte. Nevertheless, in oocytes exposed to CPs decreased developmental competence and increased reactive oxygen species production were observed compared to the control. A more severe reduction of cleavage and blastocyst rates after in vitro fertilization was obtained from vitrified oocytes. Our

  14. FT-Raman and FT-Infrared investigations of archaeological artefacts from Foeni Neolithic site (Banat, Romania

    Directory of Open Access Journals (Sweden)

    Simona Cîntă Pînzaru

    2008-08-01

    Full Text Available An impressive collection of chert artefacts from the Foeni Neolithic archaeological site (Timiş County, Banat region, Romania is hosted by the Banat Museum in Timişoara. A representative set of seven specimens was non-destructively investigated using FT-Raman and ATR-FT-IR spectroscopy. The research was carried out for checking if these readily-available, non-destructive, fast, and cheap methods, which do not require preliminary sample preparation could provide significant information for characterizing the mineral composition of chert artefacts. Based on vibrational data, it was confirmed that the raw material was represented by microcrystalline quartz and moganite, with local concentrations of accessory minerals (calcite, dolomite, and clay minerals. In spite of their wide macroscopic heterogeneity (colour, transparency, based on single point FT-Raman measurements the chert artefacts could not be assigned to distinctive groups of raw silica materials, in order to provide specific arguments for provenance studies. However, the presence of specific accessory minerals (dolomite, illite pointed to distinctive genetic conditions in the case of one lithic material. Sets of measurements (mapping are required for statistically characterizing each artefact specimen. IR data were less significant, due to the rough surface texture of the specimens in contact with the ZnSe crystal of the ATR-FT-IR module. However, illite was identified based solely on its contribution to the IR spectrum. This pioneering study on chert artefacts from Romania based on optical spectroscopic methods shows that there are good premises for a systematic investigation of highly-valuable museum collections, in particular in terms of chert geology.

  15. Investigation of resonant signals recorded at well J-11, Nevada Test Site

    International Nuclear Information System (INIS)

    Long, J.W.

    1981-07-01

    After the Farm event, gages measuring horizontal accelerations at the bottom of Well J-11 began resonating at about 3 to 5 hertz on each shot. This investigation of possible causes concludes that the material surrounding the well casing has fallen away, allowing the casing to move freely in horizontal directions and causing the undesirable resonance

  16. Experimental investigation of quantum effects in time-resolved resonance Rayleigh scattering from quantum well excitons

    DEFF Research Database (Denmark)

    Birkedal, Dan; Shah, Jagdeep; Shchegrov, Andrei V.

    2000-01-01

    Resonant Rayleigh scattering from quantum well excitons is investigated using ultrafast spectral interferometry. We isolate the coherent Rayleigh scattering from incoherent luminescence in a single speckle. Averaging the resonant Rayleigh intensity over several speckles allows us to identify...... features in support of quantum corrections to the classical description of the underlying scattering process....

  17. Investigation of magnetic interactions in sulfides by means of magnetic resonance

    International Nuclear Information System (INIS)

    Veen, G. van.

    1978-01-01

    Investigations have been designed to gather more information about magnetic pair interactions in sulfides by isomorphic substitution of the magnetic ions in suitable chosen diamagnetic host lattices and measurement of electron spin resonance of coupled pairs and of electron spin resonance or electron nuclear double resonance of the hyperfine interaction due to the nuclei of diamagnetic cations. The greater part of this thesis is devoted to preliminaries of magnetic resonance interpretation and sample selection and preparation. The measurements on the magnetically diluted compounds, which are described, only have an exploratory nature. (Auth.)

  18. Magnetic resonance techniques for investigation of multiple sclerosis

    Science.gov (United States)

    MacKay, Alex; Laule, Cornelia; Li, David K. B.; Meyers, Sandra M.; Russell-Schulz, Bretta; Vavasour, Irene M.

    2014-11-01

    Multiple sclerosis (MS) is a common neurological disease which can cause loss of vision and balance, muscle weakness, impaired speech, fatigue, cognitive dysfunction and even paralysis. The key pathological processes in MS are inflammation, edema, myelin loss, axonal loss and gliosis. Unfortunately, the cause of MS is still not understood and there is currently no cure. Magnetic resonance imaging (MRI) is an important clinical and research tool for MS. 'Conventional' MRI images of MS brain reveal bright lesions, or plaques, which demark regions of severe tissue damage. Conventional MRI has been extremely valuable for the diagnosis and management of people who have MS and also for the assessment of therapies designed to reduce inflammation and promote repair. While conventional MRI is clearly valuable, it lack pathological specificity and, in some cases, sensitivity to non-lesional pathology. Advanced MR techniques have been developed to provide information that is more sensitive and specific than what is available with clinical scanning. Diffusion tensor imaging and magnetization transfer provide a general but non-specific measure of the pathological state of brain tissue. MR spectroscopy provides concentrations of brain metabolites which can be related to specific pathologies. Myelin water imaging was designed to assess brain myelination and has proved useful for measuring myelin loss in MS. To combat MS, it is crucial that the pharmaceutical industry finds therapies which can reverse the neurodegenerative processes which occur in the disease. The challenge for magnetic resonance researchers is to design imaging techniques which can provide detailed pathological information relating to the mechanisms of MS therapies. This paper briefly describes the pathologies of MS and demonstrates how MS-associated pathologies can be followed using both conventional and advanced MR imaging protocols.

  19. Molecular near-field antenna effect in resonance hyper-Raman scattering: Intermolecular vibronic intensity borrowing of solvent from solute through dipole-dipole and dipole-quadrupole interactions

    Energy Technology Data Exchange (ETDEWEB)

    Shimada, Rintaro; Hamaguchi, Hiro-o, E-mail: hhama@nctu.edu.tw [Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, 1001 University Road, Hsinchu 30010, Taiwan (China)

    2014-05-28

    We quantitatively interpret the recently discovered intriguing phenomenon related to resonance Hyper-Raman (HR) scattering. In resonance HR spectra of all-trans-β-carotene (β-carotene) in solution, vibrations of proximate solvent molecules are observed concomitantly with the solute β-carotene HR bands. It has been shown that these solvent bands are subject to marked intensity enhancements by more than 5 orders of magnitude under the presence of β-carotene. We have called this phenomenon the molecular-near field effect. Resonance HR spectra of β-carotene in benzene, deuterated benzene, cyclohexane, and deuterated cyclohexane have been measured precisely for a quantitative analysis of this effect. The assignments of the observed peaks are made by referring to the infrared, Raman, and HR spectra of neat solvents. It has been revealed that infrared active and some Raman active vibrations are active in the HR molecular near-field effect. The observed spectra in the form of difference spectra (between benzene/deuterated benzene and cyclohexane/deuterated cyclohexane) are quantitatively analyzed on the basis of the extended vibronic theory of resonance HR scattering. The theory incorporates the coupling of excited electronic states of β-carotene with the vibrations of a proximate solvent molecule through solute–solvent dipole–dipole and dipole–quadrupole interactions. It is shown that the infrared active modes arise from the dipole–dipole interaction, whereas Raman active modes from the dipole–quadrupole interaction. It is also shown that vibrations that give strongly polarized Raman bands are weak in the HR molecular near-field effect. The observed solvent HR spectra are simulated with the help of quantum chemical calculations for various orientations and distances of a solvent molecule with respect to the solute. The observed spectra are best simulated with random orientations of the solvent molecule at an intermolecular distance of 10 Å.

  20. Chirality, Metallicity, and Transition Dependent Asymmetries in Resonance Raman Excitation Profiles of Chirality-Enriched Carbon Nanotubes

    Science.gov (United States)

    Doorn, Stephen; Duque, Juan; Telg, Hagen; Haroz, Erik; Tu, Xiaomin; Zheng, Ming

    2014-03-01

    Access to carbon nanotube samples enriched in single chiralities allows the observation of new photophysical behaviors obscured or difficult to demonstrate in mixed-chirality ensembles. Recent examples include the observation of strongly asymmetric G-band excitation profiles resulting from non-Condon effects1 and the unambiguous demonstration of Raman interference effects.2 We present here our most recent results demonstrating the generality of the non-Condon behavior to include metallic species (specifically several armchair chiralities). Additionally, the Eii dependence in non-Condon behavior with excitations from E11 thru E44 for both RBM and G modes will be discussed. 1. J.G. Duque, et. al., ACS Nano, 5, 5233 (2011). 2. J.G. Duque, et. al., Phys. Rev. Lett. 108, 117404 (2012).

  1. Using 13C-labeled benzene and Raman gas spectroscopy to investigate respiration and biodegradation kinetics following soil contamination

    Science.gov (United States)

    Jochum, Tobias; Popp, Juergen; Frosch, Torsten

    2016-04-01

    Soil and groundwater contamination with benzene can cause serious environmental damages. However, many soil microorganisms are capable to adapt and known to strongly control the fate of organic contamination. Cavity enhanced Raman gas spectroscopy (CERS) was applied to investigate the short-term response of indigenous soil bacteria to a sudden surface contamination with benzene regarding the temporal variations of gas products and their exchange rates with the adjacent atmosphere. 13C-labeled benzene was spiked on a silty-loamy soil column (sampled from Hainich National Park, Germany) in order to track and separate the changes in heterotrophic soil respiration - involving 12CO2 and O2 - from the microbial process of benzene degradation, which ultimately forms 13CO2.1 The respiratory quotient (RQ) of 0.98 decreased significantly after the spiking and increased again within 33 hours to a value of 0.72. This coincided with maximum 13CO2 concentration rates (0.63 μ mol m-2 s-1), indicating highest benzene degradation at 33 hours after the spiking event. The diffusion of benzene in the headspace and the biodegradation into 13CO2 were simultaneously monitored and 12 days after the benzene spiking no measurable degradation was detected anymore.1 The RQ finally returned to a value of 0.96 demonstrating the reestablished aerobic respiration. In summary, this study shows the potential of combining Raman gas spectroscopy and stable isotopes to follow soil microbial biodegradation dynamics while simultaneously monitoring the underlying respiration behavior. Support by the Collaborative Research Center 1076 Aqua Diva is kindly acknowledged. We thank Beate Michalzik for soil analysis and discussion. 1. T. Jochum, B. Michalzik, A. Bachmann, J. Popp and T. Frosch, Analyst, 2015, 140, 3143-3149.

  2. Resonance Raman detection of iron-ligand vibrations in cyano(pyridine)(octaethylporphinato)iron(III): Effects of pyridine basicity on the Fe-CN bond strength

    International Nuclear Information System (INIS)

    Uno, Tadayuki; Hatano, Keiichiro; Nishimura, Yoshifumi; Arata, Yoji

    1988-01-01

    The influence of axial ligand basicity on the bonding of iron(III) in cyano adducts of octaethylporphyrin has been studied by resonance Raman spectroscopy. In a six-coordinate ferric low-spin complex, cyano(pyridine)(octaethylporphinato)iron(III), Fe(OEP)(CN)(py), Raman lines at 449 and 191 cm -1 were assigned to the ν(Fe-CN) and ν(Fe-py) stretching modes, respectively. When pyridine was displaced with its derivatives, py-X, where X = 4-cyano, 3-acetyl, 3-methyl, 4-methyl, 3,4-dimethyl, and 4-dimethylamino, the ν(Fe-CN) stretching frequency was found to decrease in the complex with a high pyridine basicity. It was concluded that the stronger the trans pyridine basicity, the weaker the iron-carbon (cyanide) bond. A clear frequency shift was observed in the ν 4 model, though most of the porphyrin vibrations were insensitive to the ligand substitution. The frequency of the ν 4 mode, which is the C a -N(pyrrole) breathing vibration of the porphyrin skeleton, was found to increase with an increase in pyridine basicity. This is contrary to what was found in ferrous low-spin hemes as CO complexes. The ν 4 shift in the CN complexes was explained in terms of forward π donation; donation of electrons from the porphyrin π orbital to the d π vacancy of the low-spin iron(III) weakened the C a -N(pyrrole) bonds and hence decreased the ν 4 frequency. 32 references, 8 figures

  3. Raman Spectroscopy of Ocular Tissue

    Science.gov (United States)

    Ermakov, Igor V.; Sharifzadeh, Mohsen; Gellermann, Warner

    excised tissue samples and synthetic preparations and thus to identify potential biomarkers for the onset of this disease. Using resonance Raman detection techniques, the concentration and spatial distribution of macular pigment, a protective compound, can be detected in the living human retina Useable in clinical settings for patient screening, the technology is suitable to investigate correlations between pigment concentration levels and risk for macular degeneration and to monitor increases in pigment levels occurring as a result of dietary intervention strategies.

  4. Raman spectroscopy and the forensic analysis of black/grey and blue cotton fibres Part 1: investigation of the effects of varying laser wavelength.

    Science.gov (United States)

    Thomas, J; Buzzini, P; Massonnet, G; Reedy, B; Roux, C

    2005-09-10

    Raman spectroscopy was investigated to determine the optimal conditions, mainly laser wavelength/s, for the analysis of the commonly encountered black/grey and blue cotton fibres dyed with reactive dyes. In this first part, a single blue cotton fibre, its three dye components, and an undyed cotton fibre were analysed with five different laser wavelengths from two different Raman microprobe spectrometers. The quality of the spectra, fibre degradation and speed of acquisition were used to determine that, under the conditions used, the 785 and 830 nm lasers gave superior results. The 632.8 nm laser wavelengths provided good results with little acquisition time and no spectral degradation. Results indicate that, at least, the major dye component could be identified using Raman spectroscopy.

  5. Raman spectroscopic investigation of superconducting YBa2Cu3O7/sub -//sub x/, semiconducting YBa2Cu3O6/sub +//sub x/, and possible impurity phases

    International Nuclear Information System (INIS)

    Mascarenhas, A.; Geller, S.; Xu, L.C.; Katayama-Yoshida, H.; Pankove, J.I.; Deb, S.K.

    1988-01-01

    A Raman spectroscopic investigation of specimens of superconducting YBa 2 Cu 3 O/sub 7-//sub x/ and of the possible impurity phases YBa 2 Cu 3 O/sub 6+//sub x/ (semiconductor), Y 2 BaCuO 5 , Y 2 Cu 2 O 5 , BaCuO 2 , CuO, Y 2 O 3 , and BaCO 3 indicates that in the range 100--700 cm -1 , there are six characteristic lines belonging to the superconductor. At 13 K, these lines are at 150, 338, 441, 507, 590, and 644 cm -1 . Comparison of the Raman spectra of the superconductor and the semiconductor indicates a mode stiffening of the pair at 338 and 441 cm -1 , but a mode softening of the pair at 507 and 590 cm -1 . A factor group analysis leads to a tentative assignment of the Raman and infrared allowed modes

  6. Investigation of an Ultrafast Harmonic Resonant RF Kicker

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yulu [Univ. of Chinese Academy of Sciences (CAS), Beijing (China)

    2016-10-01

    An Energy Recovery Linac (ERL) based multi-turn electron Circulator Cooler Ring (CCR) is envisaged in the proposed Jefferson Lab Electron Ion Collider (JLEIC) to cool the ion bunches with high energy (55 MeV), high current (1.5 A), high repetition frequency (476.3 MHz), high quality magnetized electron bunches. A critical component in this scheme is a pair of ultrafast kickers for the exchange of electron bunches between the ERL and the CCR. The ultrafast kicker should operate with the rise and fall time in less than 2.1 ns, at the repetition rate of ~10s MHz, and should be able to run continuously during the whole period of cooling. These -and-fall time being combined together, are well beyond the state-of-art of traditional pulsed power supplies and magnet kickers. To solve this technical challenge, an alternative method is to generate this high repetition rate, fast rise-and-fall time short pulse continuous waveform by summing several finite number of (co)sine waves at harmonic frequencies of the kicking repetition frequency, and these harmonic modes can be generated by the Quarter Wave Resonater (QWR) based multifrequency cavities. Assuming the recirculator factor is 10, 10 harmonic modes (from 47.63 MHz to 476.3 MHz) with proper amplitudes and phases, plus a DC offset are combined together, a continuous short pulse waveform with the rise-and-fall time in less than 2.1 ns, repetition rate of 47.63 MHz waveform can be generated. With the compact and matured technology of QWR cavities, the total cost of both hardware development and operation can be reduced to a modest level. Focuse on the technical scheme, three main topics will be discussed in this thesis: the synthetization of the kicking pulse, the design and optimization of the deflecting QWR multi-integer harmonic frequency resonator and the fabrication and bench measurements of a half scale copper prototype. In the kicking pulse synthetization part, we begin with the Fourier Series expansion of an ideal

  7. Subfemtosecond pulse generation by cascade-stimulated Raman scattering with modulated Raman excitation

    International Nuclear Information System (INIS)

    Wu Kun; Wu Jian; Zeng Heping

    2003-01-01

    Subfemtosecond (sub-fs) pulses can be generated by cascade-stimulated Raman scattering in a Raman medium with modulated Raman excitations, driven by two sufficiently intense laser beams, one of which is amplitude modulated. The nonadiabatic Raman interaction establishes a strong modulated Raman coherence, which supports compression of the generated broadband Raman sidebands to a train of sub-fs pulses regardless of whether the carrier frequencies of the driving lasers are tuned above, below or on two-photon Raman resonance. (letter to the editor)

  8. Investigation of Raman bands vapour of contours of trichloroethylene at high pressure

    International Nuclear Information System (INIS)

    Zaleskaya, G.A.; Ikramov, M.; Shukurov, T.

    1989-01-01

    Investigation of high-pressure extraneous gas on contour comb. band, spreading trichloroethylene steams are in given article. Increasing of extraneous gas pressure brings to decreasing free molecule circling time is shown

  9. Hepatic Metabolism of Perfluorinated Carboxylic Acids and Polychlorotrifluoroethylene: A Nuclear Magnetic Resonance Investigation in vito

    Science.gov (United States)

    1994-01-06

    L. Narayanan. and B. M. Jamot. ’Effects of Peulluoro-n- octanoic Acid , Perfluoro-n-decanoic Acid , and Clofibrate on Hepatic Phosphorus Metabolism in...pathways and examined the impact of perfluorocarboxylic acid exposure. This investigative strategy will delineate the metabolic effices exerted by...Perfluorinated Carboxylic Acids and Polychlorotrifluoroethylene: A Nuclear Magnetic Resonance Investigation in Vivo Principal Investigator: Nicholas V. Reo

  10. Fundamental aspects of Am and Cm in zirconia-based materials. Investigations using X-ray diffraction and Raman spectroscopy

    International Nuclear Information System (INIS)

    Raison, P.E.; Haire, R.G.; Assefa, Z.

    2002-01-01

    We have investigated incorporation of americium and curium in selected zirconia-based materials. Fundamental aspects were explored via X-ray diffraction and Raman spectroscopy. First explored was the pseudo ternary system, AmO 2 -ZrO 2 -Y 2 O 3 . It was found that stable, cubic solid solutions (Am x Zr 1-x Y y )O 2-2/y can be obtained for selected compositions. The cell parameters of the cubic phases were established as being linear with the AmO 2 content. For the Cm 2 O 3 -ZrO 2 system, it was determined that diphasic materials are produced, except for two compositions: 25 mol% and 50 mol% of CmO 1.5 . For these compositions a single-phase cubic fluorite type solid solution (a=5.21A±0.01) and a pyrochlore oxide Cm 2 Zr 2 O 7 (a=10.63A±0.02) are formed, respectively. The stability of pyrochlore oxides is also being investigated as a function of self-irradiation, using shorter-lived isotopes, one being the californium pyrochlore 249 Cf 2 Zr 2 O 7 . We obtained evidence that after six months of storage the pyrochlore oxide is undergoing structural change. Additional studies are in progress. (author)

  11. Experimental investigations of production of glueballs and meson resonant states

    International Nuclear Information System (INIS)

    Lindenbaum, S.J.

    1987-01-01

    The major efforts reported have been directed toward investigating glueballs and non-strange mesons. The g/sub T/(2050), g/sub T'/(2300), and g/sub T''/(2350) have been observed in the OZI forbidden reaction π - p → phi phi n. Their characteristics are explained within the context of quantum chromodynamics as being produced by 1 to 3 primary glueballs. It is proposed to increase the present statistics in order to reduce the effective partial wave analysis resolution, and to begin to study the high vertical bar t' vertical bar region. It is further planned to pursue coupled channel analysis of high precision π - p → K/sub s/ 0 K/sub s/ 0 n data and other relevant world data in the 2 ++ , 0 ++ , and 4 ++ channels. A program is planned to investigate K - p and p anti p interactions at 8 GeV/c

  12. A quarter century of stimulated Raman scattering

    International Nuclear Information System (INIS)

    Bloembergen, N.

    1987-01-01

    To round out a quarter century of SRS the timing of this writing (1986) requires a look ahead of only one year into the future. The proceedings of the 10th International Conference on Raman Spectroscopy present a picture of current activity. Further progress will be made in time-resolved spectroscopy with subpicosecond resolution, in the study of hyper-Raman and other higher order effects with CARS, in extension of resonant Raman excitation in the UV region of spectrum, and in the development of Raman laser sources. During past few years extensive theoretical investigations have been made for four-wave light mixing in the case of one or more very strong light beams. The perturbation approach for those fields ceases to be valid. If only one light field is strong, the usual approach is to make a transformation to a rotating coordinate system so that the strong Hamiltonian for this light field becomes time-independent. Very recently these techniques have been extended to the case of two or more strong fields. CARS-type experiments with strong beams are likely to receive more attention. Extrapolation of the current activities instills confidence in the vitality of stimulated Raman scattering for the foreseeable future

  13. Polarization Sensitive Coherent Raman Measurements of DCVJ

    Science.gov (United States)

    Anderson, Josiah; Cooper, Nathan; Lawhead, Carlos; Shiver, Tegan; Ujj, Laszlo

    2014-03-01

    Coherent Raman spectroscopy which recently developed into coherent Raman microscopy has been used to produce label free imaging of thin layers of material and find the spatial distributions of certain chemicals within samples, e.g. cancer cells.(1) Not all aspects of coherent scattering have been used for imaging. Among those for example are special polarization sensitive measurements. Therefore we have investigated the properties of polarization sensitive CARS spectra of a highly fluorescent molecule, DCVJ.(2) Spectra has been recorded by using parallel polarized and perpendicular polarized excitations. A special polarization arrangement was developed to suppress the non-resonant background scattering from the sample. These results can be used to improve the imaging properties of a coherent Raman microscope in the future. This is the first time coherent Raman polarization sensitive measurements have been used to characterize the vibrational modes of DCVJ. 1: K. I. Gutkowski, et al., ``Fluorescence of dicyanovinyl julolidine in a room temperature ionic liquid '' Chemical Physics Letters 426 (2006) 329 - 333 2: Fouad El-Diasty, ``Coherent anti-Stokes Raman scattering: Spectroscopy and microscopy'' Vibrational Spectroscopy 55 (2011) 1-37

  14. Growth temperature dependent surface plasmon resonances of densely packed gold nanoparticles’ films and their role in surface enhanced Raman scattering of Rhodamine6G

    International Nuclear Information System (INIS)

    Verma, Shweta; Rao, B. Tirumala; Bhartiya, S.; Sathe, V.; Kukreja, L.M.

    2015-01-01

    Highlights: • Growth temperature produces and tunes the surface plasmon resonance (SPR) of gold films. • Optimum thickness and growth temperature combination results narrow SPR band. • Alumina capping red-shifted the SPR band and showed marginal re-sputtering of films. • Densely packed gold nanoparticles of varying sizes can be realized by pulsed laser deposition. • High SERS intensity of dye from gold films of large SPR strength at excitation wavelength. - Abstract: Localized surface plasmon resonance (LSPR) characteristics of gold nanoparticles films grown at different substrate temperatures and mass thicknesses with and without alumina capping were studied. At different film mass thicknesses, the LSPR response was observed mainly in the films grown at high substrate temperatures. About 300 °C substrate temperature was found to be optimum for producing narrow and strong LSPR band in both uncapped and alumina capped gold nanoparticles films. The LSPR wavelength could be tuned in the range of 600–750 nm by changing either number of ablation pulses or decreasing target to substrate distance (TSD) and alumina layer capping. Though the alumina capping re-sputtered the gold films still these films exhibited stronger LSPR response compared to the uncapped films. Atomic force microscopic analysis revealed formation of densely packed nanoparticles films exhibiting strong LSPR response which is consistent with the package density of the nanoparticles predicted by the theoretical calculations. The average size of nanoparticles increased with substrate temperature, number of ablation pulses and decreasing the TSD. For the same mass thickness of gold films grown at different substrate temperatures the surface enhanced Raman scattering (SERS) intensity of Rhodamine6G dye was found to be significantly different which had direct correlation with the LSPR strength of the films at the excitation wavelength

  15. Binding of bufuralol, dextromethorphan, and 3,4-methylenedioxymethylamphetamine to wild-type and F120A mutant cytochrome P450 2D6 studied by resonance Raman spectroscopy

    NARCIS (Netherlands)

    Bonifacio, A.; Keizers, P.H.J.; Commandeur, J.N.M.; Vermeulen, N.P.E.; Robert, B.; Gooijer, C.; van der Zwan, G.

    2006-01-01

    Cytochrome P450 2D6 (CYP2D6) is one of the most important drug-metabolizing enzymes in humans. Resonance Raman data, reported for the first time for CYP2D6, show that the CYP2D6 heme is found to be in a six-coordinated low-spin state in the absence of substrates, and it is perturbed to different

  16. A numerical investigation of sub-wavelength resonances in polygonal metamaterial cylinders

    DEFF Research Database (Denmark)

    Arslanagic, Samel; Breinbjerg, Olav

    2009-01-01

    The sub-wavelength resonances, known to exist in metamaterial radiators and scatterers of circular cylindrical shape, are investigated with the aim of determining if these resonances also exist for polygonal cylinders and, if so, how they are affected by the shape of the polygon. To this end, a set...... of polygonal cylinders excited by a nearby electric line current is analyzed numerically and it is shown, through detailed analysis of the near-field distribution and radiation resistance, that these polygonal cylinders do indeed support sub-wavelength resonances similar to those of the circular cylinders...

  17. Contrasts between the vibronic contributions in the tris-(2,2'-bipyridyl)osmium(II) emission spectrum and the implications of resonance-Raman parameters.

    Science.gov (United States)

    Ondongo, Onduru S; Endicott, John F

    2009-04-06

    The emission spectrum of the tris-(2,2'-bipyridine)osmium(II) metal-to-ligand charge transfer (MLCT) excited-state frozen solution at 77 K differs qualitatively from that expected based on its reported resonance-Raman (rR) parameters in that (1) the dominant vibronic contributions to the emission spectrum are in the low frequency regime (corresponding to nuclear displacements in largely to metal-ligand vibrational modes) and these contributions are negligible in the rR; and (2) the amplitude of the emission sideband components that correspond to envelopes of largely bpy centered vibrational modes is about 40% of that expected (relative to the amplitude observed for the band origin) for a simple vibronic progression in these modes. The distortions in low frequency vibrational modes are attributable to configurational mixing between metal centered (LF) and MLCT excited states, and the small amplitudes of the bpy-mode vibronic components may be a consequence of some intrinsic differences of the distortions of the (3)MLCT and (1)MLCT excited states such as the zero-field splitting of the (3)MLCT excited state and the different distortions of these excited-state components.

  18. Quaternary ammonium oxidative demethylation: X-ray crystallographic, resonance Raman, and UV-visible spectroscopic analysis of a Rieske-type demethylase.

    Science.gov (United States)

    Daughtry, Kelly D; Xiao, Youli; Stoner-Ma, Deborah; Cho, Eunsun; Orville, Allen M; Liu, Pinghua; Allen, Karen N

    2012-02-08

    Herein, the structure resulting from in situ turnover in a chemically challenging quaternary ammonium oxidative demethylation reaction was captured via crystallographic analysis and analyzed via single-crystal spectroscopy. Crystal structures were determined for the Rieske-type monooxygenase, stachydrine demethylase, in the unliganded state (at 1.6 Å resolution) and in the product complex (at 2.2 Å resolution). The ligand complex was obtained from enzyme aerobically cocrystallized with the substrate stachydrine (N,N-dimethylproline). The ligand electron density in the complex was interpreted as proline, generated within the active site at 100 K by the absorption of X-ray photon energy and two consecutive demethylation cycles. The oxidation state of the Rieske iron-sulfur cluster was characterized by UV-visible spectroscopy throughout X-ray data collection in conjunction with resonance Raman spectra collected before and after diffraction data. Shifts in the absorption band wavelength and intensity as a function of absorbed X-ray dose demonstrated that the Rieske center was reduced by solvated electrons generated by X-ray photons; the kinetics of the reduction process differed dramatically for the liganded complex compared to unliganded demethylase, which may correspond to the observed turnover in the crystal.

  19. An investigation of cerebral magnetic resonance angiography, 5

    International Nuclear Information System (INIS)

    Takeda, Sadanori; Sadamoto, Kazuhiko; Ohue, Shiro; Todo, Hirooki; Sakaki, Saburo.

    1992-01-01

    A number of studies of MR angiography (MRA) as a noninvasive screening method for vascular diseases have been reported recently. Almost all of them were investigated using high tesla magnets (1.5 tesla). We have been investigating three-dimensional MRA using a medium tesla (0.5 tesla) system (HITACHI G-50). The purpose of this study is to evaluate the usefulness of 3-D MRA for the screening of cerebral aneurysms. Twenty patients with 25 cerebral aneurysms were included in this study. The sizes of the aneurysms ranged from 2 to 35 mm. Twenty-three aneurysms were located on the anterior circulation, and 2 on the posterior circulation. MR angiography was performed with a gradient-echo sequence at a TR of 50 msec, a TE of 16 msec, and a flip angle of 25 degrees. The imaging volumes ranged in thickness from 48 to 64 mm, with 32 partitions. We used a sequence-subtraction technique composed of rephased and dephased sequences; it provides a good visualization of the main cerebral arteries. Cerebral aneurysms were detected on 3-D MRA in 23 lesions (92%). We consider that 0.5 tesla 3-D MRA could be useful for the screening of nonruptured aneurysms. (author)

  20. Raman spectroscopy

    Science.gov (United States)

    Raman spectroscopy has gained increased use and importance in recent years for accurate and precise detection of physical and chemical properties of food materials, due to the greater specificity and sensitivity of Raman techniques over other analytical techniques. This book chapter presents Raman s...

  1. An Investigation on Micro-Raman Spectra and Wavelet Data Analysis for Pemphigus Vulgaris Follow-up Monitoring

    OpenAIRE

    Camerlingo, Carlo; Zenone, Flora; Perna, Giuseppe; Capozzi, Vito; Cirillo, Nicola; Gaeta, Giovanni Maria; Lepore, Maria

    2008-01-01

    A wavelet multi-component decomposition algorithm has been used for data analysis of micro-Raman spectra of blood serum samples from patients affected by pemphigus vulgaris at different stages. Pemphigus is a chronic, autoimmune, blistering disease of the skin and mucous membranes with a potentially fatal outcome. Spectra were measured by means of a Raman confocal microspectrometer apparatus using the 632.8 nm line of a He-Ne laser source. A discrete wavelet transform decomposition method has...

  2. Nuclear magnetic resonance structure investigations on crosslinked polyesters

    International Nuclear Information System (INIS)

    Grobelny, J.

    1999-01-01

    Styrene-crosslinked mixed polyesters derived from maleic anhydride, 2,2-di(4-hydroxypropoxyphenyl)propane, oligo(propylene oxide) and 1,2-propylene glycol were investigated by high-resolution solid-state 13 C NMR spectroscopy. The structural modifications accompanying crosslinking were characterized in terms of spin-lattice relaxation times as a function of unsaturated polyester composition. Copolymerization and crosslinking effects were individually evaluated and the latter effect was related to variations in crosslinking density associated with the chemical structure of the unsaturated prepolymer. As the crosslinking effect is suppressed, the mechanical properties undergo expected changes, e.g., impact strength is increased and modulus of elasticity in tension is decreased. (author)

  3. Resonance

    DEFF Research Database (Denmark)

    Petersen, Nils Holger

    2014-01-01

    A chapter in a book about terminology within the field of medievalism: the chapter discusses the resonance of medieval music and ritual in modern (classical) music culture and liturgical practice.......A chapter in a book about terminology within the field of medievalism: the chapter discusses the resonance of medieval music and ritual in modern (classical) music culture and liturgical practice....

  4. Raman Spectroscopy for Homeland Security Applications

    Directory of Open Access Journals (Sweden)

    Gregory Mogilevsky

    2012-01-01

    Full Text Available Raman spectroscopy is an analytical technique with vast applications in the homeland security and defense arenas. The Raman effect is defined by the inelastic interaction of the incident laser with the analyte molecule’s vibrational modes, which can be exploited to detect and identify chemicals in various environments and for the detection of hazards in the field, at checkpoints, or in a forensic laboratory with no contact with the substance. A major source of error that overwhelms the Raman signal is fluorescence caused by the background and the sample matrix. Novel methods are being developed to enhance the Raman signal’s sensitivity and to reduce the effects of fluorescence by altering how the hazard material interacts with its environment and the incident laser. Basic Raman techniques applicable to homeland security applications include conventional (off-resonance Raman spectroscopy, surface-enhanced Raman spectroscopy (SERS, resonance Raman spectroscopy, and spatially or temporally offset Raman spectroscopy (SORS and TORS. Additional emerging Raman techniques, including remote Raman detection, Raman imaging, and Heterodyne imaging, are being developed to further enhance the Raman signal, mitigate fluorescence effects, and monitor hazards at a distance for use in homeland security and defense applications.

  5. Spectroscopic (far or terahertz, mid-infrared and Raman) investigation, thermal analysis and biological activity of piplartine

    Science.gov (United States)

    Srivastava, Anubha; Karthick, T.; Joshi, B. D.; Mishra, Rashmi; Tandon, Poonam; Ayala, A. P.; Ellena, Javier

    2017-09-01

    Research in the field of medicinal plants including Piper species like long pepper (Piper longum L.- Piperaceae) is increasing all over the world due to its use in traditional and Ayurvedic medicine. Piplartine (piperlongumine, 5,6-dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-2(1H)-pyridinone), a biologically active alkaloid/amide was isolated from the phytochemical investigations of Piper species, as long pepper. This alkaloid has cytotoxic, anti-fungal, anti-diabetic, anti-platelet aggregation, anti-tumoral, anxiolytic, anti-depressant, anti-leishmanial, and genotoxic activities, but, its anticancer property is the most promising and has been widely explored. The main purpose of the work is to present a solid state characterization of PPTN using thermal analysis and vibrational spectroscopy. Quantum mechanical calculations based on the density functional theory was also applied to investigate the molecular conformation and vibrational spectrum, which was compared with experimental results obtained by Raman scattering, far (terahertz) and mid-infrared adsorption spectroscopy. NBO analysis has been performed which predict that most intensive interactions in PPTN are the hyperconjugative interactions between n(1) N6 and π*(O1sbnd C7) having delocalization energy of 50.53 kcal/mol, Topological parameters have been analyzed using 'AIM' analysis which governs the three bond critical points (BCPs), one di-hydrogen, and four ring critical points (RCPs). MEP surface has been plotted which forecast that the most negative region is associated with the electronegative oxygen atoms (sites for nucleophilic activity). Theoretically, to confirm that the title compound has anti-cancer, anti-diabetic and anti-platelet aggregation activities, it was analyzed by molecular docking interactions with the corresponding target receptors. The obtained values of H-bonding parameters and binding affinity prove that its anti-cancer activity is the more prominent than the

  6. Structural and vibrational spectral investigations of melaminium glutarate monohydrate by FTIR, FT-Raman and DFT methods

    Science.gov (United States)

    Arjunan, V.; Marchewka, M. K.; Raj, Arushma; Yang, Haifeng; Mohan, S.

    2015-01-01

    Melaminium glutarate monohydrate has been synthesised and FTIR and FT-Raman spectral investigations are carried out. The molecular geometry and vibrational frequencies of melaminium glutarate monohydrate in the ground state have been determined by using B3LYP method with 6-31++G**, 6-31++G and cc-pVDZ basis sets. The stability of the system, inter molecular hydrogen bonding and the electron donor-acceptor interactions of the complex have been investigated by using natural bonding orbital analysis. It reveals that the Nsbnd H⋯O and Osbnd H⋯O intermolecular interactions significantly influence crystal packing of this molecular complex. The glutarate anion forms hydrogen bonds to the melaminium cation as the proton donor of the type Nsbnd H⋯O with a distance (N⋯O) = 2.51 Å. It is also linked by other hydrogen bonds to the water molecule of the type Osbnd H⋯O with (O⋯O) = 2.82 Å and to the amino (sbnd NH2) group of melaminium cation of the type Nsbnd H⋯O with (N⋯O) = 2.82 Å as the proton acceptor. The electrostatic potential of the complex is in the range +1.892e × 10-2 to -1.892e × 10-2. The limits of total electron density of the complex is +6.679e × 10-2 to -6.679e × 10-2.

  7. Structural and vibrational spectral investigations of melaminium glutarate monohydrate by FTIR, FT-Raman and DFT methods.

    Science.gov (United States)

    Arjunan, V; Marchewka, M K; Raj, Arushma; Yang, Haifeng; Mohan, S

    2015-01-25

    Melaminium glutarate monohydrate has been synthesised and FTIR and FT-Raman spectral investigations are carried out. The molecular geometry and vibrational frequencies of melaminium glutarate monohydrate in the ground state have been determined by using B3LYP method with 6-31++G(**), 6-31++G and cc-pVDZ basis sets. The stability of the system, inter molecular hydrogen bonding and the electron donor-acceptor interactions of the complex have been investigated by using natural bonding orbital analysis. It reveals that the N-H⋯O and O-H⋯O intermolecular interactions significantly influence crystal packing of this molecular complex. The glutarate anion forms hydrogen bonds to the melaminium cation as the proton donor of the type N-H⋯O with a distance (N⋯O)=2.51 Å. It is also linked by other hydrogen bonds to the water molecule of the type O-H⋯O with (O⋯O)=2.82 Å and to the amino (NH2) group of melaminium cation of the type N-H⋯O with (N⋯O)=2.82 Å as the proton acceptor. The electrostatic potential of the complex is in the range +1.892e×10(-2) to -1.892e×10(-2). The limits of total electron density of the complex is +6.679e×10(-2) to -6.679e×10(-2). Copyright © 2014 Elsevier B.V. All rights reserved.

  8. Quantitative investigation of Raman selection rules and validation of the secular equation for trigonal LiNbO3

    International Nuclear Information System (INIS)

    Pezzotti, Giuseppe; Hagihara, Hirofumi; Zhu Wenliang

    2013-01-01

    Some theoretical aspects of the vibrational behaviour of trigonal lithium niobate (LiNbO 3 ) are studied and discussed in detail based on spectroscopic experimental assessments. Polarized Raman spectroscopy is systematically applied to retrieve the fundamental parameters governing the dependence of Raman intensity on crystallographic orientation, through quantitating the complete set of individual elements for the second-rank Raman tensors of the LiNbO 3 cell (C 3v (3m) point group, R3c space group). Moreover, computational algorithms are also explicitly constructed to describe the spectral shifts of the selected Raman bands when subjected to unknown stress fields. Accordingly, we have experimentally confirmed the validity of the secular equation for the trigonal cell and quantitatively substantiated its application through the determination of the full set of phonon deformation potentials for seven independent bands among those available in the LiNbO 3 vibrational spectrum. Finally, a brief discussion is offered about the significance of the presented characterizations in the technological field of LiNbO 3 devices, including the newly shown possibility of quantitatively and concurrently unfolding from polarized Raman spectra both crystallographic and mechanical information in their vectorial and tensorial nature, respectively. (paper)

  9. Graphitic carbon nanospheres: A Raman spectroscopic investigation of thermal conductivity and morphological evolution by pulsed laser irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Agarwal, Radhe; Sahoo, Satyaprakash, E-mail: satya504@gmail.com, E-mail: rkatiyar@hpcf.upr.edu; Chitturi, Venkateswara Rao; Katiyar, Ram S., E-mail: satya504@gmail.com, E-mail: rkatiyar@hpcf.upr.edu [Department of Physics, University of Puerto Rico, San Juan, Puerto Rico 00936-8377 (United States)

    2015-12-07

    Graphitic carbon nanospheres (GCNSs) were prepared by a unique acidic treatment of multi-walled nanotubes. Spherical morphology with a narrow size distribution was confirmed by transmission electron microscopy studies. The room temperature Raman spectra showed a clear signature of D- and G-peaks at around 1350 and 1591 cm{sup −1}, respectively. Temperature dependent Raman scattering measurements were performed to understand the phonon dynamics and first order temperature coefficients related to the D- and G-peaks. The temperature dependent Raman spectra in a range of 83–473 K were analysed, where the D-peak was observed to show a red-shift with increasing temperature. The relative intensity ratio of D- to G-peaks also showed a significant rise with increasing temperature. Such a temperature dependent behaviour can be attributed to lengthening of the C-C bond due to thermal expansion in material. The estimated value of the thermal conductivity of GCNSs ∼0.97 W m{sup −1} K{sup −1} was calculated using Raman spectroscopy. In addition, the effect of pulsed laser treatment on the GCNSs was demonstrated by analyzing the Raman spectra of post irradiated samples.

  10. Micro-Raman investigations of InN-GaN core-shell nanowires on Si (111) substrate

    OpenAIRE

    P. Sangeetha; K. Jeganathan; V. Ramakrishnan

    2013-01-01

    The electron-phonon interactions in InN-GaN core-shell nanowires grown by plasma assisted- molecular beam epitaxy (MBE) on Si (111) substrate have been analysed using micro-Raman spectroscopic technique with the excitation wavelength of 633, 488 and 325 nm. The Raman scattering at 633 nm reveals the characteristic E2 (high) and A1 (LO) phonon mode of InN core at 490 and 590 cm−1 respectively and E2 (high) phonon mode of GaN shell at 573 cm−1. The free carrier concentration of InN core is foun...

  11. An Investigation on the He−(1s2s2 2S Resonance in Debye Plasmas

    Directory of Open Access Journals (Sweden)

    Arijit Ghoshal

    2017-01-01

    Full Text Available The effect of Debye plasma on the 1 s 2 s 2 2 S resonance states in the scattering of electron from helium atom has been investigated within the framework of the stabilization method. The interactions among the charged particles in Debye plasma have been modelled by Debye–Huckel potential. The 1 s 2 s excited state of the helium atom has been treated as consisting of a H e + ionic core plus an electron moving around. The interaction between the core and the electron has then been modelled by a model potential. It has been found that the background plasma environment significantly affects the resonance states. To the best of our knowledge, such an investigation of 1 s 2 s 2 2 S resonance states of the electron–helium system embedded in Debye plasma environment is the first reported in the literature.

  12. Subpicosecond oxygen trapping in the heme pocket of the oxygen sensor FixL observed by time-resolved resonance Raman spectroscopy.

    Science.gov (United States)

    Kruglik, Sergei G; Jasaitis, Audrius; Hola, Klara; Yamashita, Taku; Liebl, Ursula; Martin, Jean-Louis; Vos, Marten H

    2007-05-01

    Dissociation of oxygen from the heme domain of the bacterial oxygen sensor protein FixL constitutes the first step in hypoxia-induced signaling. In the present study, the photodissociation of the heme-O2 bond was used to synchronize this event, and time-resolved resonance Raman (TR(3)) spectroscopy with subpicosecond time resolution was implemented to characterize the heme configuration of the primary photoproduct. TR(3) measurements on heme-oxycomplexes are highly challenging and have not yet been reported. Whereas in all other known six-coordinated heme protein complexes with diatomic ligands, including the oxymyoglobin reported here, heme iron out-of-plane motion (doming) occurs faster than 1 ps after iron-ligand bond breaking; surprisingly, no sizeable doming is observed in the oxycomplex of the Bradyrhizobium japonicum FixL sensor domain (FixLH). This assessment is deduced from the absence of the iron-histidine band around 217 cm(-1) as early as 0.5 ps. We suggest that efficient ultrafast oxygen rebinding to the heme occurs on the femtosecond time scale, thus hindering heme doming. Comparing WT oxy-FixLH, mutant proteins FixLH-R220H and FixLH-R220Q, the respective carbonmonoxy-complexes, and oxymyoglobin, we show that a hydrogen bond of the terminal oxygen atom with the residue in position 220 is responsible for the observed behavior; in WT FixL this residue is arginine, crucially implicated in signal transmission. We propose that the rigid O2 configuration imposed by this residue, in combination with the hydrophobic and constrained properties of the distal cavity, keep dissociated oxygen in place. These results uncover the origin of the "oxygen cage" properties of this oxygen sensor protein.

  13. Resonance Raman studies of Escherichia coli cytochrome bd oxidase. Selective enhancement of the three heme chromophores of the "as-isolated" enzyme and characterization of the cyanide adduct.

    Science.gov (United States)

    Sun, J; Osborne, J P; Kahlow, M A; Kaysser, T M; Hil, J J; Gennis, R B; Loehr, T M

    1995-09-26

    Cytochrome bd oxidase is a terminal bacterial oxidase containing three cofactors: a low-spin heme (b558), a high-spin heme (b595), and a chlorin d. The center of dioxygen reduction has been proposed to be at a dinuclear b595/d site, whereas b558 is mainly involved in transferring electrons from ubiquinone. One of the unique functional features of this enzyme is its resistance to high concentrations of cyanide (Ki in the millimolar range). With the appropriate selection of laser lines, the ligation and spin states of the b558, b595, and d hemes can be probed selectively by resonance Raman (rR) spectroscopy. Wavelengths between 400 and 500 nm predominantly excite the rR spectra of the b558 and b595 chromophores. Spectra obtained within this interval show a mixed population of spin and ligation states arising from b558 and b595, with the former more strongly enhanced at higher energy. Red excitation wavelengths (590-650 nm) generate rR spectra characteristic of chlorins, indicating the selective enhancement of the d heme. These rR results reveal that cytochrome bd oxidase "as isolated" contains the b558 heme in a six-coordinate low-spin ferric state, the b595 heme in a five-coordinate high-spin (5cHS) ferric state, and the d heme in a mixture of oxygenated (FeIIO2 FeIIIO2-; d650) and ferryl-oxo (FeIV = O; d680) states. However, the rR spectra of these two chlorin species indicate that they are both in the 5cHS state, suggesting that the d heme is lacking a strongly coordinated sixth ligand.(ABSTRACT TRUNCATED AT 250 WORDS)

  14. Ferromagnetic resonance investigation in permalloy magnetic antidot arrays on alumina nanoporous membranes

    Energy Technology Data Exchange (ETDEWEB)

    Rodríguez-Suárez, R.L., E-mail: rrodriguez@fis.puc.cl [Facultad de Física, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860 Casilla 306, Santiago (Chile); Palma, J.L.; Burgos, E.O. [Departamento de Física, Universidad de Santiago de Chile (USACH), Avda. Ecuador 3493, 917-0124 Santiago (Chile); Michea, S. [Facultad de Física, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860 Casilla 306, Santiago (Chile); Departamento de Física, Universidad de Santiago de Chile (USACH), Avda. Ecuador 3493, 917-0124 Santiago (Chile); Escrig, J.; Denardin, J.C. [Departamento de Física, Universidad de Santiago de Chile (USACH), Avda. Ecuador 3493, 917-0124 Santiago (Chile); Center for the Development of Nanoscience and Nanotechnology (CEDENNA), Avda. Ecuador 3493, 917-0124 Santiago (Chile); Aliaga, C. [Center for the Development of Nanoscience and Nanotechnology (CEDENNA), Avda. Ecuador 3493, 917-0124 Santiago (Chile); Facultad de Química y Biología, Universidad de Santiago de Chile, Casilla 40, Correo 33, Santiago (Chile)

    2014-01-15

    The magnetic properties of Ni{sub 80}Fe{sub 20} antidot arrays with hole diameters of 18 and 70 nm fabricated by a template-assisted method were investigated using the ferromagnetic resonance technique. Tuning the antidot arrays by changing the hole diameter enables control on the angular dependence of the ferromagnetic resonance field. The scanning electron microscope images reveal a quite regular hexagonal arrangement of the pores, however the angular dependence of the resonance field do not exhibit the six-fold symmetry expected for this symmetry. Micromagnetic simulations performed on a perfect hexagonal lattice, when compared with those made on our real system taken from the scanning microscope images, reveal that the presence of defects in the antidot lattice affects the ferromagnetic resonance field symmetry. - Highlights: • We use the FMR technique to investigate the magnetic properties of Py antidots. • We studied the effect of pore diameter on FMR angular measurement. • FMR field does not exhibit the six-fold symmetry. • For all angular positions there are two resonance modes always present. • Micromagnetic simulations agree with the experimental results with defects.

  15. Raman facility

    Data.gov (United States)

    Federal Laboratory Consortium — Raman scattering is a powerful light scattering technique used to diagnose the internal structure of molecules and crystals. In a light scattering experiment, light...

  16. 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...

  17. Combined piezoresponse force microscopyand Raman scattering investigation of domainboundaries in BiFeO.sub.3./sub. ceramics

    Czech Academy of Sciences Publication Activity Database

    Borodavka, Fedir; Pokorný, Jan; Hlinka, Jiří

    2016-01-01

    Roč. 89, 7-8 (2016), 746-751 ISSN 0141-1594 R&D Projects: GA ČR GA15-04121S Institutional support: RVO:68378271 Keywords : phase transition * BiFeO 3 * Raman scattering * piezoresponse force microscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.060, year: 2016

  18. Preliminary investigation on the relationship of Raman spectra of sheep meat with shear force and cooking loss.

    Science.gov (United States)

    Schmidt, Heinar; Scheier, Rico; Hopkins, David L

    2013-01-01

    A prototype handheld Raman system was used as a rapid non-invasive optical device to measure raw sheep meat to estimate cooked meat tenderness and cooking loss. Raman measurements were conducted on m. longissimus thoracis et lumborum samples from two sheep flocks from two different origins which had been aged for five days at 3-4°C before deep freezing and further analysis. The Raman data of 140 samples were correlated with shear force and cooking loss data using PLS regression. Both sample origins could be discriminated and separate correlation models yielded better correlations than the joint correlation model. For shear force, R(2)=0.79 and R(2)=0.86 were obtained for the two sites. Results for cooking loss were comparable: separate models yielded R(2)=0.79 and R(2)=0.83 for the two sites. The results show the potential usefulness of Raman spectra which can be recorded during meat processing for the prediction of quality traits such as tenderness and cooking loss. Copyright © 2012 Elsevier Ltd. All rights reserved.

  19. Surface-enhanced Raman spectroscopic studies of the Au-pentacene interface: a combined experimental and theoretical investigation.

    Science.gov (United States)

    Adil, D; Guha, S

    2013-07-28

    It has recently been shown [D. Adil and S. Guha, J. Phys. Chem. C 116, 12779 (2012)] that a large enhancement in the Raman intensity due to surface-enhanced Raman scattering (SERS) is observed from pentacene when probed through the Au contact in organic field-effect transistors (OFET) structures. Here, the SERS spectrum is shown to exhibit a high sensitivity to disorder introduced in the pentacene film by Au atoms. The Raman signature of the metal-semiconductor interface in pentacene OFETs is calculated with density-functional theory by explicitly considering the Au-pentacene interaction. The observed enhancement in the 1380 cm(-1) and the 1560 cm(-1) regions of the experimental Raman spectrum of pentacene is successfully modeled by Au-pentacene complexes, giving insights into the nature of disorder in the pentacene sp(2) network. Finally, we extend our previous work on high-operating voltage pentacene OFETs to low-operating voltage pentacene OFETs. No changes in the SERS spectra before and after subjecting the OFETs to a bias stress are observed, concurrent with no degradation in the threshold voltage. This shows that bias stress induced performance degradation is, in part, caused by field-induced structural changes in the pentacene molecule. Thus, we confirm that the SERS spectrum can be used as a visualization tool for correlating transport properties to structural changes, if any, in organic semiconductor based devices.

  20. Investigation of the Pygmy Dipole Resonance in (alpha, alpha 'gamma) coincidence experiments

    NARCIS (Netherlands)

    Savran, D.; Babilon, M.; van den Berg, A. M.; Harakeh, M. N.; Hasper, J.; Wortche, H. J.; Zilges, A.

    2007-01-01

    We report on first results from experiments using the (alpha, alpha'gamma) reaction at E alpha = 136 MeV to investigate bound electric dipole (El) excitations building the so-called Pygmy Dipole Resonance (PDR) in the semi-magic nucleus Ce-140. The method of (alpha, alpha'gamma) allows the

  1. Investigation of (3, 3) resonance effects on the properties of neutron ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 76; Issue 4. Investigation of (3,3) resonance effects on the properties of neutron-rich double magic spherical finite nucleus, 132Sn, in the ground state and under compression. Mohammed H E Abu-Sei'leek. Volume 76 Issue 4 April 2011 pp 573-589 ...

  2. Water Uptake By Mars Salt Analogs: An Investigation Of Stable Aqueous Solutions On Mars Using Raman Microscopy

    Science.gov (United States)

    Nuding, D.; Gough, R. V.; Jorgensen, S. K.; Tolbert, M. A.

    2013-12-01

    To understand the formation of briny aqueous solutions on Mars, a salt analog was developed to closely match the individual cation and anion concentrations as reported by the Wet Chemistry Laboratory aboard the Phoenix Lander. ';Instant Mars' is a salt analog developed to fully encompass the correct concentrations of magnesium, calcium, potassium, sodium, perchlorate, chloride, and sulfate ions. Using environmental Raman microscopy, we have studied the water uptake by the Instant Mars analog as a function of temperature and relative humidity. Water uptake was monitored using Raman spectroscopy in combination with optical microscopy. A MicroJet droplet generator was used to generate 30 μm diameter particles that were deposited onto a quartz disc. The particles undergo visual transformations as the relative humidity (RH) is increased and the presence of water uptake is confirmed by Raman spectroscopy. At -30° C, water uptake begins at ~ 35% RH as humidity is increased. The water uptake is marked by the growth of a sulfate peak at 990 cm-1, an indicator that sulfate has undergone a phase transition into an aqueous state. As the RH continues to increase, the peak in the O-H region (~3500 cm-1) broadens as more liquid water accumulates in the particles. The Instant Mars particles achieve complete deliquescence at 68% RH, indicated both visually and with Raman spectroscopy. The gradual water uptake observed suggests that deliquescence of the Instant Mars particles is not an immediate process, but that it occurs in steps marked by the deliquescence of the individual salts. Perhaps of even more significance is the tendency for the Instant Mars particles to remain aqueous at low humidity as RH is decreased. Raman spectra indicate that liquid water is present as low as 2% RH at -30° C. Ongoing work will examine the phase of Instant Mars particles under simulated Martian surface and subsurface conditions to gain insight into the possibility for aqueous solutions on Mars

  3. Investigations of a new nanostructured Si-material by spectral response and electron paramagnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Kuznicki, Z.T.; Ley, M. [Laboratoire PHASE, CNRS UPR 292, 23 rue du Loess, F-67037 Strasbourg cedex 2 (France); Turek, P.; Bernard, M. [Institut Charles Sadron, CNRS UPR 22, 6 rue Boussingault, F-67083 Strasbourg cedex (France)

    2002-08-01

    Electron spin resonance (or electron paramagnetic resonance) was applied to analyze multi-interface solar cells with an active amorphized substructure inserted in the emitter. The nanostructure was realized by P ion implantation followed by an adequate thermal treatment to yield very sharp a-Si/c-Si heterointerfaces. The authors have investigated especially the substructure and the transition zones between the two Si phases, which is particularly interesting because of the stress induced by the density difference of the two Si phases. (Abstract Copyright[2002], Wiley Periodicals, Inc.)

  4. Numerical Investigation of Terahertz Emission Properties of Microring Difference-Frequency Resonators

    DEFF Research Database (Denmark)

    Iwaszczuk, Krzysztof; Bisgaard, Christer Zoffmann; Andronico, Alessio

    2013-01-01

    We investigate the electromagnetic design of whispering gallery mode (WGM) terahertz (THz) resonators. Terahertz radiation is generated by difference-frequency mixing of two electrically pumped high-order near-infrared laser WGM's at room temperature in the active cavity. Due to the leaky nature...... this symmetry by modification of the dielectric environment of the resonator, and demonstrate a fabrication-optimized structure based on a concentric grating design which efficiently couples the emitted radiation into a narrow, near-gaussian forward-propagating cone of well-defined linear or circular...

  5. Raman and infrared spectroscopic investigations of a ferroelastic phase transition in B a2ZnTe O6 double perovskite

    Science.gov (United States)

    Moreira, Roberto L.; Lobo, Ricardo P. S. M.; Ramos, Sérgio L. L. M.; Sebastian, Mailadil T.; Matinaga, Franklin M.; Righi, Ariete; Dias, Anderson

    2018-05-01

    The low-temperature vibrational properties of B a2ZnTe O6 double-perovskite ceramics obtained by the solid-state route were investigated by Raman scattering and Fourier-transform infrared reflectivity. We found that this material undergoes a reversible ferroelastic phase transition at around 140 K, well compatible with a recently proposed rhombohedral-to-monoclinic structural change that would occur below 165 K. Complementary calorimetric measurements showed that the phase transition has a first-order character, with an entropy jump compatible with a displacive mechanism. The vibrational spectra show clearly the splitting of the doubly degenerate E modes into nondegenerate representations of the low-symmetry phase. In particular, the lowest-frequency Raman mode presents soft-mode behavior and splits below the critical temperature, confirming the in-plane ferroelastic deformation in the low-temperature phase.

  6. Investigation of the S1/ICT equilibrium in fucoxanthin by ultrafast pump-dump-probe and femtosecond stimulated Raman scattering spectroscopy.

    Science.gov (United States)

    Redeckas, Kipras; Voiciuk, Vladislava; Vengris, Mikas

    2016-05-01

    Time-resolved multi-pulse spectroscopic methods-pump-dump-probe (PDP) and femtosecond stimulated Raman spectroscopy-were used to investigate the excited state photodynamics of the carbonyl group containing carotenoid fucoxanthin (FX). PDP experiments show that S1 and ICT states in FX are strongly coupled and that the interstate equilibrium is rapidly (<5 ps) reestablished after one of the interacting states is deliberately depopulated. Femtosecond stimulated Raman scattering experiments indicate that S1 and ICT are vibrationally distinct species. Identification of the FSRS modes on the S1 and ICT potential energy surfaces allows us to predict a possible coupling channel for the state interaction.

  7. Raman Investigation of The Uranium Compounds U3O8, UF4, UH3 and UO3 under Pressure at Room Temperature

    International Nuclear Information System (INIS)

    Lipp, M.J.; Jenei, Z.; Park-Klepeis, J.; Evans, W.J.

    2011-01-01

    Our current state-of-the-art X-ray diffraction experiments are primarily sensitive to the position of the uranium atom. While the uranium - low-Z element bond (such as U-H or U-F) changes under pressure and temperature the X-ray diffraction investigations do not reveal information about the bonding or the stoichiometry. Questions that can be answered by Raman spectroscopy are (i) whether the bonding strength changes under pressure, as observed by either blue- or red-shifted peaks of the Raman active bands in the spectrum and (ii) whether the low-Z element will eventually be liberated and leave the host lattice, i.e. do the fluorine, oxygen, or hydrogen atoms form dimers after breaking the bond to the uranium atom. Therefore Raman spectra were also collected in the range where those decomposition products would appear. Raman is particularly well suited to these types of investigations due to its sensitivity to trace amounts of materials. One challenge for Raman investigations of the uranium compounds is that they are opaque to visible light. They absorb the incoming radiation and quickly heat up to the point of decomposition. This has been dealt with in the past by keeping the incoming laser power to very low levels on the tens of milliWatt range consequently affecting signal to noise. Recent modern investigations also used very small laser spot sizes (micrometer range) but ran again into the problem of heating and chemical sensitivity to the environment. In the studies presented here (in contrast to all other studies that were performed at ambient conditions only) we employ micro-Raman spectroscopy of samples situated in a diamond anvil cell. This increases the trustworthiness of the obtained data in several key-aspects: (a) We surrounded the samples in the DAC with neon as a pressure transmitting medium, a noble gas that is absolutely chemically inert. (b) Through the medium the sample is thermally heat sunk to the diamond anvils, diamond of course possessing the

  8. Vibrations and reorientations of H2O molecules in [Sr(H2O)6]Cl2 studied by Raman light scattering, incoherent inelastic neutron scattering and proton magnetic resonance.

    Science.gov (United States)

    Hetmańczyk, Joanna; Hetmańczyk, Lukasz; Migdał-Mikuli, Anna; Mikuli, Edward; Florek-Wojciechowska, Małgorzata; Harańczyk, Hubert

    2014-04-24

    Vibrational-reorientational dynamics of H2O ligands in the high- and low-temperature phases of [Sr(H2O)6]Cl2 was investigated by Raman Spectroscopy (RS), proton magnetic resonance ((1)H NMR), quasielastic and inelastic incoherent Neutron Scattering (QENS and IINS) methods. Neutron powder diffraction (NPD) measurements, performed simultaneously with QENS, did not indicated a change of the crystal structure at the phase transition (detected earlier by differential scanning calorimetry (DSC) at TC(h)=252.9 K (on heating) and at TC(c)=226.5K (on cooling)). Temperature dependence of the full-width at half-maximum (FWHM) of νs(OH) band at ca. 3248 cm(-1) in the RS spectra indicated small discontinuity in the vicinity of phase transition temperature, what suggests that the observed phase transition may be associated with a change of the H2O reorientational dynamics. However, an activation energy value (Ea) for the reorientational motions of H2O ligands in both phases is nearly the same and equals to ca. 8 kJ mol(-1). The QENS peaks, registered for low temperature phase do not show any broadening. However, in the high temperature phase a small QENS broadening is clearly visible, what implies that the reorientational dynamics of H2O ligands undergoes a change at the phase transition. (1)H NMR line is a superposition of two powder Pake doublets, differentiated by a dipolar broadening, suggesting that there are two types of the water molecules in the crystal lattice of [Sr(H2O)6]Cl2 which are structurally not equivalent average distances between the interacting protons are: 1.39 and 1.18 Å. However, their reorientational dynamics is very similar (τc=3.3⋅10(-10) s). Activation energies for the reorientational motion of these both kinds of H2O ligands have nearly the same values in an experimental error limit: and equal to ca. 40 kJ mole(-1). The phase transition is not seen in the (1)H NMR spectra temperature dependencies. Infrared (IR), Raman (RS) and inelastic

  9. Investigation of electron-atom/molecule scattering resonances: Two complex multiconfigurational self-consistent field approaches

    Energy Technology Data Exchange (ETDEWEB)

    Samanta, Kousik [Department of Chemistry, Rice University, Houston, TX 77005 (United States); Yeager, Danny L. [Department of Chemistry, Texas A and M University, College Station, TX 77843 (United States)

    2015-01-22

    Resonances are temporarily bound states which lie in the continuum part of the Hamiltonian. If the electronic coordinates of the Hamiltonian are scaled (“dilated”) by a complex parameter, η = αe{sup iθ} (α, θ real), then its complex eigenvalues represent the scattering states (resonant and non-resonant) while the eigenvalues corresponding to the bound states and the ionization and the excitation thresholds remain real and unmodified. These make the study of these transient species amenable to the bound state methods. We developed a quadratically convergent multiconfigurational self-consistent field method (MCSCF), a well-established bound-state technique, combined with a dilated Hamiltonian to investigate resonances. This is made possible by the adoption of a second quantization algebra suitable for a set of “complex conjugate biorthonormal” spin orbitals and a modified step-length constraining algorithm to control the walk on the complex energy hypersurface while searching for the stationary point using a multidimensional Newton-Raphson scheme. We present our computational results for the {sup 2}PBe{sup −} shape resonances using two different computationally efficient methods that utilize complex scaled MCSCF (i.e., CMCSCF). These two methods are to straightforwardly use CMCSCF energy differences and to obtain energy differences using an approximation to the complex multiconfigurational electron propagator. It is found that, differing from previous computational studies by others, there are actually two {sup 2}PBe{sup −} shape resonances very close in energy. In addition, N{sub 2} resonances are examined using one of these methods.

  10. Hepatic Metabolism of Perfluorinated Carboxylic Acids and Polychlorotrifluoroethylene: A Nuclear Magnetic Resonance Investigation in Vivo

    Science.gov (United States)

    1994-01-05

    Goecke, L. Narayanan, and B. M. Jarnot. "Effects of Perfluoro-n- octanoic Acid , Perfluoro-n-decanoic Acid , and Clofibrate on Hepatic Phosphorus L...Carboxylic Acids and 4Polychiorotrifluoroethylene: A Nuclear Magnetic Resonance G-AFOSR-90-0148 Investigation in Vivo ,IIC 6. AUTHOR(S a Nicholas V. Reo...Maxim um 200 words) This report outlines our research progress regarding toxicological investigations of perifluoro- n-octanoic acid (PFOA) and

  11. Resonances

    DEFF Research Database (Denmark)

    an impetus or drive to that account: change, innovation, rupture, or discontinuity. Resonances: Historical Essays on Continuity and Change explores the historiographical question of the modes of interrelation between these motifs in historical narratives. The essays in the collection attempt to realize...

  12. Resonance Counters as the Best Tool for the Investigations in Material Science

    International Nuclear Information System (INIS)

    Belyaev, A. A.; Irkaev, S. M.; Panchuck, V. V.; Semenov, V. G.; Volodin, V. S.

    2008-01-01

    Sensitivity and resolution play a crucial role when Moessbauer spectroscopy is used in the materials science. Application of resonance counters in Moessbauer spectrometers allows us to increase the parameters mentioned above, and also signal-to-noise ratio considerably. The last one provides diminishing the time needed for obtaining given statistical accuracy. We carried out investigations of development of optimal counters for following isotopes: 57 Fe, 119 Sn, and 151 Eu. Influence of different parameters of resonant radiation converters on experimental results was considered theoretically. Optimization of design has been performed using mathematical modeling based on Monte-Carlo method. Comparison of different types of counters used for resonant detecting was carried out. Results of experimental works on selection of efficient radiation converters are given. Comparison of scintillation and gas resonance counters was carried out. FeAl and FeGe 2 alloys and K 2 MgFe(CN) 6 have been used as converters for experiments with 57 Fe-isotope, CaSnO 3 has been used for 119 Sn and Eu 2 O 3 and EuF 3 --for 151 Eu isotope. Gamma-optical scheme for versatile spectrometer, which expands the range of application of resonant detection for other Moessbauer isotopes, was suggested.

  13. Attractive and repulsive interactions among methanol molecules in supercritical state investigated by Raman spectroscopy and perturbed hard-sphere theory.

    Science.gov (United States)

    Saitow, Ken-ichi; Sasaki, Jungo

    2005-03-08

    The short-range structure of supercritical methanol (CH(3)OH) is investigated by measuring the spontaneous Raman spectra of the C-O stretching mode. The spectra are obtained at a reduced temperature, T(r)=T/T(c)=1.02 (522.9 K), which permits the neat fluid to be studied isothermally as a function of density. As the density increases, the spectral peaks shift toward the lower energy side and the spectra broaden. In the supercritical region, the amount of shifting shows nonlinear density dependence and the width becomes anomalously large. We use the perturbed hard-sphere model to analyze these density dependencies along the vibrational coordinate. The amount of shifting is decomposed into attractive and repulsive components, and the changes in attractive and repulsive energies are evaluated as functions of density and packing fraction, both of which are continuously varied by a factor of 120. Here we show that the shift amount consists principally of the attractive component at all densities, since the attractive energy is about eight times the repulsive energy. The density dependence of the widths is analyzed by calculating homogeneous and inhomogeneous widths as a function of density. The results show that, although vibrational dephasing and density inhomogeneity contribute similarly to the width at low and middle densities, at high density the main contributor turns out to be the vibrational dephasing. We estimate the local density enhancements of supercritical CH(3)OH as function of bulk density by two methods. The results of these analyses show common features, and both the estimated local density enhancements of CH(3)OH are considerably larger than the local density enhancements of simple fluids, i.e., those having nonhydrogen bonding. It is revealed that the local density of supercritical CH(3)OH is 40%-60% greater than the local densities of the simple fluids. We also estimate the local density fluctuation using the obtained values of attractive shift

  14. An investigation into the use of micro-Raman spectroscopy for the analysis of car paints and single textile fibres

    Science.gov (United States)

    Zięba-Palus, Janina; Wąs-Gubała, Jolanta

    2011-05-01

    Micro-Raman spectroscopy was applied to identification and differentiation between criminalistic traces such as micropaint chips and single fibres. The aim was to determine the degree of discrimination between fibres coloured by defined chemical dye classes and to differentiate between paint samples on the basis of pigment/dye content. Samples of coloured cotton fibres and samples of green car paints were examined. It was found that the majority of the obtained Raman spectra provided information about the main dyes present in the sample. However, in some cases fluorescence of the samples made dye identification impossible. Spectral libraries for examined paint samples and single fibres were created in order to facilitate quick recognition of similar forensic traces using this analytical method.

  15. Raman and Terahertz Spectroscopic Investigation of Cocrystal Formation Involving Antibiotic Nitrofurantoin Drug and Coformer 4-aminobenzoic Acid

    Directory of Open Access Journals (Sweden)

    Yong Du

    2016-12-01

    Full Text Available Cocrystallization could improve most physicochemical properties of specific active pharmaceutical ingredients, which has great potential in pharmaceutical development. In this study, the cocrystal of nitrofurantoin and 4-aminobenzoic acid was prepared with solid-state (solvent-free or green-chemistry grinding approach, and the above cocrystal has been characterized by Raman and terahertz vibrational spectroscopic techniques. Spectral results show that the vibrational modes of the cocrystal within the whole spectral region are different from those of the corresponding parent materials. The dynamic process of such pharmaceutical cocrystal formation has also been monitored directly with Raman spectra. These results offer us unique means for characterizing the cocrystal conformation from the molecule-level, and provides us with rich information about the reaction dynamic of cocrystal formation within pharmaceutical fields.

  16. Micro-Raman spectroscopy investigation of the carbonation reaction in a lime paste produced with a traditional technology

    Czech Academy of Sciences Publication Activity Database

    Ševčík, Radek; Mácová, Petra; Sotiriadis, Konstantinos; Pérez-Estébanez, Marta; Viani, Alberto; Šašek, Petr

    2016-01-01

    Roč. 47, č. 12 (2016), s. 1452-1457 ISSN 0377-0486 R&D Projects: GA ČR(CZ) GP14-20374P; GA MŠk(CZ) LO1219 Keywords : calcite * carbonation * lime paste * micro-Raman spectroscopy * portlandite Subject RIV: AL - Art, Architecture, Cultural Heritage Impact factor: 2.969, year: 2016 http://onlinelibrary.wiley.com/doi/10.1002/jrs.4929/full

  17. Raman Tweezers as a Diagnostic Tool of Hemoglobin-Related Blood Disorders

    Directory of Open Access Journals (Sweden)

    Giulia Rusciano

    2008-12-01

    Full Text Available This review presents the development of a Raman Tweezers system for detecting hemoglobin-related blood disorders at a single cell level. The study demonstrates that the molecular fingerprint insight provided by Raman analysis holds great promise for distinguishing between healthy and diseased cells in the field of biomedicine. Herein a Raman Tweezers system has been applied to investigate the effects of thalassemia, a blood disease quite diffuse in the Mediterranean Sea region. By resonant excitation of hemoglobin Raman bands, we examined the oxygenation capability of normal, alpha- and beta-thalassemic erythrocytes. A reduction of this fundamental red blood cell function, particularly severe for beta-thalassemia, has been found. Raman spectroscopy was also used to draw hemoglobin distribution inside single erythrocytes; the results confirmed the characteristic anomaly (target shape, occurring in thalassemia and some other blood disorders. The success of resonance Raman spectroscopy for thalassemia detection reported in this review provide an interesting starting point to explore the application of a Raman Tweezers system in the analysis of several blood disorders.

  18. Micro-Raman investigations of InN-GaN core-shell nanowires on Si (111) substrate

    Energy Technology Data Exchange (ETDEWEB)

    Sangeetha, P.; Ramakrishnan, V. [Department of Laser Studies, School of Physics, Madurai Kamaraj University, Madurai-625 021 (India); Jeganathan, K. [Centre for Nanoscience and Nanotechnology, School of Physics, Bharathidasan University, Tiruchirappalli-620 024 (India)

    2013-06-15

    The electron-phonon interactions in InN-GaN core-shell nanowires grown by plasma assisted- molecular beam epitaxy (MBE) on Si (111) substrate have been analysed using micro-Raman spectroscopic technique with the excitation wavelength of 633, 488 and 325 nm. The Raman scattering at 633 nm reveals the characteristic E{sub 2} (high) and A{sub 1} (LO) phonon mode of InN core at 490 and 590 cm{sup -1} respectively and E{sub 2} (high) phonon mode of GaN shell at 573 cm{sup -1}. The free carrier concentration of InN core is found to be low in the order {approx} 10{sup 16} cm{sup -3} due to the screening of charge carriers by thin GaN shell. Diameter of InN core evaluated using the spatial correlation model is consistent with the transmission electron microscopic measurement of {approx}15 nm. The phonon-life time of core-shell nanowire structure is estimated to be {approx}0.4 ps. The micro-Raman mapping and its corresponding localised spectra for 325 nm excitation exhibit intense E{sub 2} (high) phonon mode of GaN shell at 573 cm{sup -1} as the decrease of laser interaction length and the signal intensity is quenched at the voids due to high spacing of NWs.

  19. Micro-Raman investigations of InN-GaN core-shell nanowires on Si (111) substrate

    Science.gov (United States)

    Sangeetha, P.; Jeganathan, K.; Ramakrishnan, V.

    2013-06-01

    The electron-phonon interactions in InN-GaN core-shell nanowires grown by plasma assisted- molecular beam epitaxy (MBE) on Si (111) substrate have been analysed using micro-Raman spectroscopic technique with the excitation wavelength of 633, 488 and 325 nm. The Raman scattering at 633 nm reveals the characteristic E2 (high) and A1 (LO) phonon mode of InN core at 490 and 590 cm-1 respectively and E2 (high) phonon mode of GaN shell at 573 cm-1. The free carrier concentration of InN core is found to be low in the order ˜ 1016 cm-3 due to the screening of charge carriers by thin GaN shell. Diameter of InN core evaluated using the spatial correlation model is consistent with the transmission electron microscopic measurement of ˜15 nm. The phonon-life time of core-shell nanowire structure is estimated to be ˜0.4 ps. The micro-Raman mapping and its corresponding localised spectra for 325 nm excitation exhibit intense E2 (high) phonon mode of GaN shell at 573 cm-1 as the decrease of laser interaction length and the signal intensity is quenched at the voids due to high spacing of NWs.

  20. Micro-Raman investigations of InN-GaN core-shell nanowires on Si (111 substrate

    Directory of Open Access Journals (Sweden)

    P. Sangeetha

    2013-06-01

    Full Text Available The electron-phonon interactions in InN-GaN core-shell nanowires grown by plasma assisted- molecular beam epitaxy (MBE on Si (111 substrate have been analysed using micro-Raman spectroscopic technique with the excitation wavelength of 633, 488 and 325 nm. The Raman scattering at 633 nm reveals the characteristic E2 (high and A1 (LO phonon mode of InN core at 490 and 590 cm−1 respectively and E2 (high phonon mode of GaN shell at 573 cm−1. The free carrier concentration of InN core is found to be low in the order ∼ 1016 cm−3 due to the screening of charge carriers by thin GaN shell. Diameter of InN core evaluated using the spatial correlation model is consistent with the transmission electron microscopic measurement of ∼15 nm. The phonon-life time of core-shell nanowire structure is estimated to be ∼0.4 ps. The micro-Raman mapping and its corresponding localised spectra for 325 nm excitation exhibit intense E2 (high phonon mode of GaN shell at 573 cm−1 as the decrease of laser interaction length and the signal intensity is quenched at the voids due to high spacing of NWs.

  1. Micro-Raman investigations of InN-GaN core-shell nanowires on Si (111) substrate

    International Nuclear Information System (INIS)

    Sangeetha, P.; Ramakrishnan, V.; Jeganathan, K.

    2013-01-01

    The electron-phonon interactions in InN-GaN core-shell nanowires grown by plasma assisted- molecular beam epitaxy (MBE) on Si (111) substrate have been analysed using micro-Raman spectroscopic technique with the excitation wavelength of 633, 488 and 325 nm. The Raman scattering at 633 nm reveals the characteristic E 2 (high) and A 1 (LO) phonon mode of InN core at 490 and 590 cm −1 respectively and E 2 (high) phonon mode of GaN shell at 573 cm −1 . The free carrier concentration of InN core is found to be low in the order ∼ 10 16 cm −3 due to the screening of charge carriers by thin GaN shell. Diameter of InN core evaluated using the spatial correlation model is consistent with the transmission electron microscopic measurement of ∼15 nm. The phonon-life time of core-shell nanowire structure is estimated to be ∼0.4 ps. The micro-Raman mapping and its corresponding localised spectra for 325 nm excitation exhibit intense E 2 (high) phonon mode of GaN shell at 573 cm −1 as the decrease of laser interaction length and the signal intensity is quenched at the voids due to high spacing of NWs.

  2. Investigation of ferromagnetic resonance and magnetoresistance in anti-spin ice structures

    Science.gov (United States)

    Ribeiro, I. R. B.; Felix, J. F.; Figueiredo, L. C.; Morais, P. C.; Ferreira, S. O.; Moura-Melo, W. A.; Pereira, A. R.; Quindeau, A.; de Araujo, C. I. L.

    2016-11-01

    In this work, we report experimental and theoretical investigations performed in anti-spin ice structures, composed by square lattice of elongated antidots, patterned in nickel thin film. The magnetic vortex crystal state was obtained by micromagnetic simulation as the ground state magnetization, which arises due to the magnetic stray field at the antidot edges inducing chirality in the magnetization of platters among antidots. Ferromagnetic resonance (FMR) and magnetoresistance (MR) measurements were utilized to investigate the vortex crystal magnetization dynamics and magnetoelectric response. By using FMR, it was possible to detect the spin wave modes and vortex crystal resonance, in good agreement with dynamic micromagnetic simulation results. The vortex crystal magnetization configuration and its response to the external magnetic field, were used to explain the isotropic MR behaviour observed.

  3. Hepatic Metabolism of Perfluorinated Carboxylic Acids: A Nuclear Magnetic Resonance Investigation in Vivo

    Science.gov (United States)

    1995-01-17

    Reo, C. M. Goecke, L. Narayanan, and B. M. Jarnot. "Effects of Perfluoro-n- octanoic Acid , Perfluoro-n-decanoic Acid , and Clofibrate on Hepatic...SUBTITLE 7C 5. FUNDING NUMBERS" Hepatic Metabolism of Perfluorinated Carboxylic Acids : A Nuclear Magnetic Resonance Investigation in Vivo G-AFOSR-90-0148 6...octanoic acid (PFOA) and perfluoro-n-decanoic acid (PFDA). These Air Force chemicals belong to a class of CU’. compounds known as peroxisome

  4. Experimental investigations of driven Alfven wave resonances in a tokamak plasma using carbon dioxide laser interferometry

    International Nuclear Information System (INIS)

    Evans, T.E.

    1984-09-01

    The first direct observation of the internal structure of driven global Alfven eigenmodes in a tokamak plasma is presented. A carbon dioxide laser scattering/interferometer has been designed, built, and installed on the PRETEXT tokamak. By using this diagnostic system in the interferometer configuration, we have for the first time, thoroughly investigated the resonance conditions required for, and the spatial wave field structure of, driven plasma eigenmodes at frequencies below the ion cyclotron frequency in a confined, high temperature, tokamak plasma

  5. Investigation of natural frequencies of laser inertial confinement fusion capsules using resonant ultrasound spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Xiaojun [Institute of Modern Physics, Fudan University, Shanghai 200433 (China); Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Tang, Xing; Wang, Zongwei [Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Chen, Qian; Qian, Menglu [Institute of Acoustic, Tongji University, Shanghai 200433 (China); Meng, Jie [Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Tang, Yongjian [Institute of Modern Physics, Fudan University, Shanghai 200433 (China); Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Zou, Yaming; Shen, Hao [Institute of Modern Physics, Fudan University, Shanghai 200433 (China); Gao, Dangzhong, E-mail: dgaocn@163.com [Research Center of Laser Fusion, CAEP, Mianyang 621900 (China)

    2017-01-15

    Highlights: • The frequency equation of isotropic multi-layer hollow spheres was derived using three-dimension (3D) elasticity theory and transfer matrix method. • The natural frequencies of the capsules with a millimeter-sized diameter are determined experimentally using resonant ultrasound spectrum (RUS) system. • The predicted natural frequencies of the frequency equation accord well with the observed results. • The theoretical and experimental investigation has proved the potential applicability of RUS to both metallic and non-metallic capsules. - Abstract: The natural frequency problem of laser inertial confinement fusion (ICF) capsules is one of the basic problems for determining non-destructively the elasticity modulus of each layer material using resonant ultrasound spectroscopy (RUS). In this paper, the frequency equation of isotropic one-layer hollow spheres was derived using three dimension (3D) elasticity theory and some simplified frequency equations were discussed under axisymmetric and spherical symmetry conditions. The corresponding equation of isotropic multi-layer hollow spheres was given employing transfer matrix method. To confirm the validity of the frequency equation and explore the feasibility of RUS for characterizing the ICF capsules, three representative capsules with a millimeter-sized diameter were determined by piezoelectric-based resonant ultrasound spectroscopy (PZT-RUS) and laser-based resonant ultrasound spectroscopy (LRUS) techniques. On the basis of both theoretical and experimental results, it is proved that the calculated and measured natural frequencies are accurate enough for determining the ICF capsules.

  6. Dynamics of long ring Raman fiber laser

    Science.gov (United States)

    Sukhanov, Sergey V.; Melnikov, Leonid A.; Mazhirina, Yulia A.

    2016-04-01

    The numerical model for dynamics of long fiber ring Raman laser is proposed. The model is based on the transport equations and Courant-Isaacson-Rees numerical method. Different regimes of a long ring fiber Raman laser are investigated.

  7. Development of Femtosecond Stimulated Raman Spectroscopy: Stimulated Raman Gain via Elimination of Cross Phase Modulation

    International Nuclear Information System (INIS)

    Jin, Seung Min; Lee, Young Jong; Yu, Jong Wan; Kim, Seong Keun

    2004-01-01

    We have developed a new femtosecond probe technique by using stimulated Raman spectroscopy. The cross phase modulation in femtosecond time scale associated with off-resonant interaction was shown to be eliminated by integrating the transient gain/loss signal over the time delay between the Raman pump pulse and the continuum pulse. The stimulated Raman gain of neat cyclohexane was obtained to demonstrate the feasibility of the technique. Spectral and temporal widths of stimulated Raman spectra were controlled by using a narrow band pass filter. Femtosecond stimulated Raman spectroscopy was proposed as a highly useful probe in time-resolved vibrational spectroscopy

  8. Investigation of Condensed Media in Weak Fields by the Method of Nuclear Magnetic Resonance

    Science.gov (United States)

    Davydov, V. V.; Myazin, N. S.; Dudkin, V. I.; Velichko, E. N.

    2018-05-01

    A compact design of a rapid-response nuclear magnetic spectrometer for investigation of condensed media in weak fields is reported. As a result of investigation of different condensed media, special features of recording a nuclear magnetic resonance (NMR) signal in a weak magnetic field from a small volume of the medium under study are established. For the first time the NMR absorption spectra of condensed media in a weak field are collected. Based on the results of experimental studies, the potential of using a compact NMR-spectrometer for condensed media monitoring in a rapid response mode is determined.

  9. Investigations into the adsorption behaviour of zeolites using nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Hennig, H.J.

    1973-01-01

    The interactions between adsorbed molecules and the walls of the cavities in faujasite have been investigated; even the sodium form of the A type zeolite was included in the investigation. The nuclear magnetic resonance measurements were performed with a varian DP-60 wide line resonance spectrometer. The measuring frequency was generally 16 MHg the modulation frequency 20 Hz. The resonance effect was recorded in the form of the derived absorption signal. It was found that the water molecules form hydrogen bonds to the oxygen ions of the alumozilicate structure, the hydrogen sulphide on the other hand splits off protons which under formation of OH groups bind in the oxygen ions of the alumosilicate structure. The results obtained with sulphur dioxide imply that these molecules bind onto the oxygen ions of the alumosilicate structure via sulphur and thus occupy their free electron pairs. The translation mobility of the absorbed molecules present at room temperature is very much reduced when cooling down to certain temperatures; this solidification temperature of the adsorbate lies below that of the pure liquids. Probably the absorbed molecules are deposited in one or several layers onto the walls of the cavity. Prefered sorption sites for the faujasites are the sodium ions in front of the six-membered rings on the walls fo the large cavities, with NaA, on the other hand, the sodium ions are in the eight-membered rings. (ORU) [de

  10. Experimental and numerical investigations of resonant acoustic waves in near-critical carbon dioxide.

    Science.gov (United States)

    Hasan, Nusair; Farouk, Bakhtier

    2015-10-01

    Flow and transport induced by resonant acoustic waves in a near-critical fluid filled cylindrical enclosure is investigated both experimentally and numerically. Supercritical carbon dioxide (near the critical or the pseudo-critical states) in a confined resonator is subjected to acoustic field created by an electro-mechanical acoustic transducer and the induced pressure waves are measured by a fast response pressure field microphone. The frequency of the acoustic transducer is chosen such that the lowest acoustic mode propagates along the enclosure. For numerical simulations, a real-fluid computational fluid dynamics model representing the thermo-physical and transport properties of the supercritical fluid is considered. The simulated acoustic field in the resonator is compared with measurements. The formation of acoustic streaming structures in the highly compressible medium is revealed by time-averaging the numerical solutions over a given period. Due to diverging thermo-physical properties of supercritical fluid near the critical point, large scale oscillations are generated even for small sound field intensity. The strength of the acoustic wave field is found to be in direct relation with the thermodynamic state of the fluid. The effects of near-critical property variations and the operating pressure on the formation process of the streaming structures are also investigated. Irregular streaming patterns with significantly higher streaming velocities are observed for near-pseudo-critical states at operating pressures close to the critical pressure. However, these structures quickly re-orient to the typical Rayleigh streaming patterns with the increase operating pressure.

  11. A deuterium and carbon nuclear magnetic resonance spectroscopic investigation of blood flow and carbohydrate metabolism

    International Nuclear Information System (INIS)

    Bosch, C.S.E.

    1988-01-01

    The purpose of this study is the development and application of nuclear magnetic resonance (NMR) spectroscopic techniques for this study of whole tissue metabolism, tissue perfusion and blood flow. The feasibility of spin imaging deuterium-enriched tissue water is demonstrated in cat brain in vivo and in situ. The potential application of D 2 O administration to deuterium-flow-imaging is considered. NMR investigations of hepatic carbohydrate metabolism were performed in rat liver in vivo and in situ. A coaxial, double-surface-coil, double-resonance probe was developed for carbon detection while decoupling neighboring proton scalar interactions ( 13 C-[ 1 H]) in hepatic tissue within the living animal. Hormonal and substrate regulation of hepatic glucose and glycogen metabolism was investigated by monitoring the metabolic fate of an administered c-dose of [1- 13 C]glucose. Label flux was directed primarily into newly-synthesized 13 C-labeled glycogen. A multiple resonance ( 1 H, 13 C, 31 P) liver perfusion probe was designed for complimentary carbohydrate metabolic studies in rat liver in vitro. A description of the 13 C-[ 1 H]/ 31 P NMR perfusion probe is given. The surgical technique used for liver excision and peripheral life-support apparatus required to maintain hepatic function are also detailed

  12. Emerging technology: applications of Raman spectroscopy for prostate cancer.

    Science.gov (United States)

    Kast, Rachel E; Tucker, Stephanie C; Killian, Kevin; Trexler, Micaela; Honn, Kenneth V; Auner, Gregory W

    2014-09-01

    There is a need in prostate cancer diagnostics and research for a label-free imaging methodology that is nondestructive, rapid, objective, and uninfluenced by water. Raman spectroscopy provides a molecular signature, which can be scaled from micron-level regions of interest in cells to macroscopic areas of tissue. It can be used for applications ranging from in vivo or in vitro diagnostics to basic science laboratory testing. This work describes the fundamentals of Raman spectroscopy and complementary techniques including surface enhanced Raman scattering, resonance Raman spectroscopy, coherent anti-Stokes Raman spectroscopy, confocal Raman spectroscopy, stimulated Raman scattering, and spatially offset Raman spectroscopy. Clinical applications of Raman spectroscopy to prostate cancer will be discussed, including screening, biopsy, margin assessment, and monitoring of treatment efficacy. Laboratory applications including cell identification, culture monitoring, therapeutics development, and live imaging of cellular processes are discussed. Potential future avenues of research are described, with emphasis on multiplexing Raman spectroscopy with other modalities.

  13. Designing of Raman laser

    International Nuclear Information System (INIS)

    Zidan, M. D.; Al-Awad, F.; Alsous, M. B.

    2005-01-01

    In this work, we describe the design of the Raman laser pumped by Frequency doubled Nd-YAG laser (λ=532 nm) to generate new laser wavelengths by shifting the frequency of the Nd-YAG laser to Stokes region (λ 1 =683 nm, λ 2 =953.6 nm, λ 3 =1579.5 nm) and Antistokes region (λ ' 1 =435 nm, λ ' 2 =369.9 nm, λ ' 3=319.8 nm). Laser resonator has been designed to increase the laser gain. It consists of two mirrors, the back mirror transmits the pump laser beam (λ=532 nm) through the Raman tube and reflects all other generated Raman laser lines. Four special front mirrors were made to be used for the four laser lines λ 1 =683 nm, λ 2 =953.6 nm and λ ' 1 = 435 nm, λ ' 2 =369.9 nm. The output energy for the lines υ 1 s, υ 2 s, υ 1 as,υ 2 as was measured. The output energy of the Raman laser was characterized for different H 2 pressure inside the tube. (Author)

  14. Gold Nanostructures for Surface-Enhanced Raman Spectroscopy, Prepared by Electrodeposition in Porous Silicon

    Directory of Open Access Journals (Sweden)

    Yukio H. Ogata

    2011-04-01

    Full Text Available Electrodeposition of gold into porous silicon was investigated. In the present study, porous silicon with ~100 nm in pore diameter, so-called medium-sized pores, was used as template electrode for gold electrodeposition. The growth behavior of gold deposits was studied by scanning electron microscope observation of the gold deposited porous silicon. Gold nanorod arrays with different rod lengths were prepared, and their surface-enhanced Raman scattering properties were investigated. We found that the absorption peak due to the surface plasmon resonance can be tuned by changing the length of the nanorods. The optimum length of the gold nanorods was ~600 nm for surface-enhanced Raman spectroscopy using a He-Ne laser. The reason why the optimum length of the gold nanorods was 600 nm was discussed by considering the relationship between the absorption peak of surface plasmon resonance and the wavelength of the incident laser for Raman scattering.

  15. [Laser Raman spectral investigations of the carbon structure of LiFePO4/C cathode material].

    Science.gov (United States)

    Yang, Chao; Li, Yong-Mei; Zhao, Quan-Feng; Gan, Xiang-Kun; Yao, Yao-Chun

    2013-10-01

    In the present paper, Laser Raman spectral was used to study the carbon structure of LiFePO4/C positive material. The samples were also been characterized by X-ray diffraction (XRD), scanning electron microscope(SEM), selected area electron diffraction (SEAD) and resistivity test. The result indicated that compared with the sp2/sp3 peak area ratios the I(D)/I(G) ratios are not only more evenly but also exhibited some similar rules. However, the studies indicated that there exist differences of I(D)/ I(G) ratios and sp2/sp3 peak area ratios among different points in the same sample. And compared with the samples using citric acid or sucrose as carbon source, the sample which was synthetized with mixed carbon source (mixed by citric acid and sucrose) exhibited higher I(D)/I(G) ratios and sp2/sp3 peak area ratios. Also, by contrast, the differences of I(D)/I(G) ratios and sp2/sp3 peak area ratios among different points in the same sample are less than the single carbon source samples' datas. In the scanning electron microscopy (sem) and transmission electron microscopy (sem) images, we can observed the uneven distributions of carbon coating of the primary particles and the secondary particles, this may be the main reason for not being uniform of difference data in the same sample. The obvious discreteness will affect the normal use of Raman spectroscopy in these tests.

  16. Investigation of silicon width (p, p') resonance scattering in left angle 110 right angle channeling direction

    International Nuclear Information System (INIS)

    Ditroi, F.; Meyer, J.D.; Michelmann, R.; Kislat, D.; Bethge, K.

    1994-01-01

    Crystalline silicon samples were investigated both in channeling and random directions by using the (p, p') resonance scattering at 2.3 MeV bombarding energy. The samples were positioned in the scattering chamber of a VdG accelerator after 2 m collimating path. The peaks due to the resonance at 2.1 MeV were measured at different angles in the vicinity of the channeling and random directions. A peak shift and broadening was seen at the channeling and near channeling directions compared with the random one. The spectra were also simulated using our modified Monte Carlo calculation method for stopping, range and energy distribution in highly ordered materials. The energy shift and the broadening between the random and the channeling spectra were compared and explained. (orig.)

  17. A time-dependent density functional theory investigation of plasmon resonances of linear Au atomic chains

    International Nuclear Information System (INIS)

    Liu Dan-Dan; Zhang Hong

    2011-01-01

    We report theoretical studies on the plasmon resonances in linear Au atomic chains by using ab initio time-dependent density functional theory. The dipole responses are investigated each as a function of chain length. They converge into a single resonance in the longitudinal mode but split into two transverse modes. As the chain length increases, the longitudinal plasmon mode is redshifted in energy while the transverse modes shift in the opposite direction (blueshifts). In addition, the energy gap between the two transverse modes reduces with chain length increasing. We find that there are unique characteristics, different from those of other metallic chains. These characteristics are crucial to atomic-scale engineering of single-molecule sensing, optical spectroscopy, and so on. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  18. Investigation of Fat Metabolism during Antiobesity Interventions by Magnetic Resonance Imaging and Spectroscopy

    Directory of Open Access Journals (Sweden)

    Arunima Pola

    2014-01-01

    Full Text Available The focus of current treatments for obesity is to reduce the body weight or visceral fat, which requires longer duration to show effect. In this study, we investigated the short-term changes in fat metabolism in liver, abdomen, and skeletal muscle during antiobesity interventions including Sibutramine treatment and diet restriction in obese rats using magnetic resonance imaging, magnetic resonance spectroscopy, and blood chemistry. Sibutramine is an antiobesity drug that results in weight loss by increasing satiety and energy expenditure. The Sibutramine-treated rats showed reduction of liver fat and intramyocellular lipids on day 3. The triglycerides (TG decreased on day 1 and 3 compared to baseline (day 0. The early response/nonresponse in different fat depots will permit optimization of treatment for better clinical outcome rather than staying with a drug for longer periods.

  19. Investigation of attractive and repulsive interactions associated with ketones in supercritical CO2, based on Raman spectroscopy and theoretical calculations.

    Science.gov (United States)

    Kajiya, Daisuke; Saitow, Ken-ichi

    2013-08-07

    Carbonyl compounds are solutes that are highly soluble in supercritical CO2 (scCO2). Their solubility governs the efficiency of chemical reactions, and is significantly increased by changing a chromophore. To effectively use scCO2 as solvent, it is crucial to understand the high solubility of carbonyl compounds, the solvation structure, and the solute-solvent intermolecular interactions. We report Raman spectroscopic data, for three prototypical ketones dissolved in scCO2, and four theoretical analyses. The vibrational Raman spectra of the C=O stretching modes of ketones (acetone, acetophenone, and benzophenone) were measured in scCO2 along the reduced temperature Tr = T∕Tc = 1.02 isotherm as a function of the reduced density ρr = ρ∕ρc in the range 0.05-1.5. The peak frequencies of the C=O stretching modes shifted toward lower energies as the fluid density increased. The density dependence was analyzed by using perturbed hard-sphere theory, and the shift was decomposed into attractive and repulsive energy components. The attractive energy between the ketones and CO2 was up to nine times higher than the repulsive energy, and its magnitude increased in the following order: acetone attractive energy and optimized the relative configuration between each solute and CO2. According to theoretical calculations for the dispersion energy, the dipole-induced-dipole interaction energy, and the frequency shift due to their interactions, the experimentally determined attractive energy differences in the three solutes were attributed to the dispersion energies that depended on a chromophore attached to the carbonyl groups. It was found that the major intermolecular interaction with the attractive shift varied from dipole-induced dipole to dispersion depending on the chromophore in the ketones in scCO2. As the common conclusion for the Raman spectral measurements and the four theoretical calculations, solute polarizability, modified by the chromophore, was at the core of

  20. A micro-Raman spectroscopic investigation of leukemic U-937 cells treated with Crotalaria agatiflora Schweinf and the isolated compound madurensine

    Science.gov (United States)

    le Roux, Karlien; Prinsloo, Linda C.; Hussein, Ahmed A.; Lall, Namrita

    In South Africa traditional medicine plays an important role in primary health care and therefore it is very important that the medicinal use of plants is scientifically tested for toxicity and effectiveness. It was established that the ethanolic extract of the leaves of Crotalaria agatiflora, as well as the isolated compound madurensine, is moderately toxic against leukemic U-937 cells. Light microscopic investigations indicated that symptoms of cell death are induced during treatments, but flow cytometry analysis of treated cells, using annexin-V and propidium iodide, showed that apoptosis and necrosis are insignificantly induced. The Raman results suggested that protein extraction and DNA melting occur in the cells during treatment with the ethanolic extracts (IC50 value 73.9 μg/mL), drastically changing the molecular content of the cells. In contrast, treatment with madurensine (IC50 value 136.5 μg/mL), an isolated pyrrolizidine alkaloid from the ethanolic extract of the leaves, did not have the same effect. The results are also compared to that of cells treated with actinomycin D, a compound known to induce apoptosis. The investigation showed that micro-Raman spectroscopy has great promise to be used for initial screening of samples to determine the effects of different treatments on cancerous cell lines together with conventional methods. The results highlight the fact that for many natural products used for medicinal purposes, the therapeutic effect of the crude plant extract tends to be significantly more effective than the particular action of its individual constituents.

  1. Nuclear microprobe and Raman investigation of the chemistry of the shell of the pacific oyster, Crassostrea gigas

    International Nuclear Information System (INIS)

    Markwitz, A.; Gauldie, R.W.; Pithie, J.; Sharma, S.K.; Jamieson, D.J.

    1999-01-01

    High-resolution nuclear microscopy was used to study the layered structure in the shell of the pacific oyster, Crassostrea gigas. In cross section, the layers appear as opaque white zones and clearer translucent zones. Raman spectroscopy indicates that the zones consist of alternating layers of the aragonite and calcite morphs of calcium carbonate, the mineral constituent of the shell. The chemistry of the shell varies from individual to individual but generally the predominant metal ion is Ca, with varying amounts of Si, Cl, Cr, Mn, Fe, Zn, Sb, Ni, Fe, As and Sr. Two dimensional maps of these major, minor and trace elements were measured in many shells with nuclear microscopy to identify the patterns of Zn and Sr deposition reflecting the calcite and aragonite layers. The significant difference in the patterns identified by ion beam analyses are possibly a result of isostructural exclusion of these metal ions between the different aragonite and calcite polymorphic forms of calcium carbonate. (author)

  2. X-ray Photoelectron Spectroscopic and Raman microscopic investigation of the variscite group minerals: Variscite, strengite, scorodite and mansfieldite

    Science.gov (United States)

    Kloprogge, J. Theo; Wood, Barry J.

    2017-10-01

    Several structurally related AsO4 and PO4 minerals, were studied with Raman microscopy and X-ray Photoelectron Spectroscopy (XPS). XPS revealed only Fe, As and O for scorodite. The Fe 2p, As 3d, and O 1s indicated one position for Fe2 +, while 2 different environments for O and As were observed. The O 1s at 530.3 eV and the As 3d 5/2 at 43.7 eV belonged to AsO4, while minor bands for O 1s at 531.3 eV and As 3d 5/2 at 44.8 eV were due to AsO4 groups exposed on the surface possibly forming OH-groups. Mansfieldite showed, besides Al, As and O, a trace of Co. The PO4 equivalent of mansfieldite is variscite. The change in crystal structure replacing As with P resulted in an increase in the binding energy (BE) of the Al 2p by 2.9 eV. The substitution of Fe3 + for Al3 + in the structure of strengite resulted in a Fe 2p at 710.8 eV. An increase in the Fe 2p BE of 4.8 eV was found between mansfieldite and strengite. The scorodite Raman OH-stretching region showed a sharp band at 3513 cm- 1 and a broad band around 3082 cm- 1. The spectrum of mansfieldite was like that of scorodite with a sharp band at 3536 cm- 1 and broader maxima at 3100 cm- 1 and 2888 cm- 1. Substituting Al in the arsenate structure instead of Fe resulted in a shift of the metal-OH-stretching mode by 23 cm- 1 towards higher wavenumbers due to a slightly longer H-bonding in mansfieldite compared to scorodite. The intense band for scorodite at 805 cm- 1 was ascribed to the symmetric stretching mode of the AsO4. The medium intensity bands at 890, 869, and 830 cm- 1 were ascribed to the internal modes. A significant shift towards higher wavenumbers was observed for mansfieldite. The strengite Raman spectrum in the 900-1150 cm- 1 shows a strong band at 981 cm- 1 accompanied by a series of less intense bands. The 981 cm- 1 band was assigned to the PO4 symmetric stretching mode, while the weak band at 1116 cm- 1 was the corresponding antisymmetric stretching mode. The remaining bands at 1009, 1023 and 1035 cm- 1

  3. Investigations of different doping concentration of phosphorus and boron into silicon substrate on the variable temperature Raman characteristics

    Science.gov (United States)

    Li, Xiaoli; Ding, Kai; Liu, Jian; Gao, Junxuan; Zhang, Weifeng

    2018-01-01

    Different doped silicon substrates have different device applications and have been used to fabricate solar panels and large scale integrated circuits. The thermal transport in silicon substrates are dominated by lattice vibrations, doping type, and doping concentration. In this paper, a variable-temperature Raman spectroscopic system is applied to record the frequency and linewidth changes of the silicon peak at 520 cm-1 in five chips of silicon substrate with different doping concentration of phosphorus and boron at the 83K to 1473K temperature range. The doping has better heat sensitive to temperature on the frequency shift over the low temperature range from 83K to 300K but on FWHM in high temperature range from 300K to 1473K. The results will be helpful for fundamental study and practical applications of silicon substrates.

  4. Raman spectroscopy as a tool to investigate the structure and electronic properties of carbon-atom wires

    Directory of Open Access Journals (Sweden)

    Alberto Milani

    2015-02-01

    Full Text Available Graphene, nanotubes and other carbon nanostructures have shown potential as candidates for advanced technological applications due to the different coordination of carbon atoms and to the possibility of π-conjugation. In this context, atomic-scale wires comprised of sp-hybridized carbon atoms represent ideal 1D systems to potentially downscale devices to the atomic level. Carbon-atom wires (CAWs can be arranged in two possible structures: a sequence of double bonds (cumulenes, resulting in a 1D metal, or an alternating sequence of single–triple bonds (polyynes, expected to show semiconducting properties. The electronic and optical properties of CAWs can be finely tuned by controlling the wire length (i.e., the number of carbon atoms and the type of termination (e.g., atom, molecular group or nanostructure. Although linear, sp-hybridized carbon systems are still considered elusive and unstable materials, a number of nanostructures consisting of sp-carbon wires have been produced and characterized to date. In this short review, we present the main CAW synthesis techniques and stabilization strategies and we discuss the current status of the understanding of their structural, electronic and vibrational properties with particular attention to how these properties are related to one another. We focus on the use of vibrational spectroscopy to provide information on the structural and electronic properties of the system (e.g., determination of wire length. Moreover, by employing Raman spectroscopy and surface enhanced Raman scattering in combination with the support of first principles calculations, we show that a detailed understanding of the charge transfer between CAWs and metal nanoparticles may open the possibility to tune the electronic structure from alternating to equalized bonds.

  5. Nonlinear dynamics of an electrically actuated imperfect microbeam resonator: Experimental investigation and reduced-order modeling

    KAUST Repository

    Ruzziconi, Laura

    2013-06-10

    We present a study of the dynamic behavior of a microelectromechanical systems (MEMS) device consisting of an imperfect clamped-clamped microbeam subjected to electrostatic and electrodynamic actuation. Our objective is to develop a theoretical analysis, which is able to describe and predict all the main relevant aspects of the experimental response. Extensive experimental investigation is conducted, where the main imperfections coming from microfabrication are detected, the first four experimental natural frequencies are identified and the nonlinear dynamics are explored at increasing values of electrodynamic excitation, in a neighborhood of the first symmetric resonance. Several backward and forward frequency sweeps are acquired. The nonlinear behavior is highlighted, which includes ranges of multistability, where the nonresonant and the resonant branch coexist, and intervals where superharmonic resonances are clearly visible. Numerical simulations are performed. Initially, two single mode reduced-order models are considered. One is generated via the Galerkin technique, and the other one via the combined use of the Ritz method and the Padé approximation. Both of them are able to provide a satisfactory agreement with the experimental data. This occurs not only at low values of electrodynamic excitation, but also at higher ones. Their computational efficiency is discussed in detail, since this is an essential aspect for systematic local and global simulations. Finally, the theoretical analysis is further improved and a two-degree-of-freedom reduced-order model is developed, which is also capable of capturing the measured second symmetric superharmonic resonance. Despite the apparent simplicity, it is shown that all the proposed reduced-order models are able to describe the experimental complex nonlinear dynamics of the device accurately and properly, which validates the proposed theoretical approach. © 2013 IOP Publishing Ltd.

  6. Solid State Multinuclear Magnetic Resonance Investigation of Electrolyte Decomposition Products on Lithium Ion Electrodes

    Science.gov (United States)

    DeSilva, J .H. S. R.; Udinwe, V.; Sideris, P. J.; Smart, M. C.; Krause, F. C.; Hwang, C.; Smith, K. A.; Greenbaum, S. G.

    2012-01-01

    Solid electrolyte interphase (SEI) formation in lithium ion cells prepared with advanced electrolytes is investigated by solid state multinuclear (7Li, 19F, 31P) magnetic resonance (NMR) measurements of electrode materials harvested from cycled cells subjected to an accelerated aging protocol. The electrolyte composition is varied to include the addition of fluorinated carbonates and triphenyl phosphate (TPP, a flame retardant). In addition to species associated with LiPF6 decomposition, cathode NMR spectra are characterized by the presence of compounds originating from the TPP additive. Substantial amounts of LiF are observed in the anodes as well as compounds originating from the fluorinated carbonates.

  7. Investigations of functional and structural changes in migraine with aura by magnetic resonance imaging

    DEFF Research Database (Denmark)

    Hougaard, Anders

    2015-01-01

    technology to study these features of migraine with aura (MA) is functional magnetic resonance imaging (fMRI), which has the potential not only to detect, but also to localize hypersensitive cortex. The main objective of this thesis was to investigate the cortical responsivity of patients with MA during.......e. ≥= 90% of auras occurring in the same visual hemifield (study II). To circumvent bias relating to differences between right and left hemispheres (e.g. caused by physiological left/right bias, asymmetry of the visual stimulation or magnetic field inhomogeneity of the scanner), we included an equal number...

  8. Electromagnetic properties of inner double walled carbon nanotubes investigated by nuclear magnetic resonance

    KAUST Repository

    Bouhrara, M.; Abou-Hamad, E.; Alabedi, G.; Al-Taie, I.; Kim, Y.; Wagberg, T.; Goze-Bac, C.

    2013-01-01

    The nuclear magnetic resonance (NMR) analytical technique was used to investigate the double walled carbon nanotubes (DWNTs) electromagnetic properties of inner walls. The local magnetic and electronic properties of inner nanotubes in DWNTs were analyzed using 25% 13C enriched C 60 by which the effect of dipolar coupling could be minimized. The diamagnetic shielding was determined due to the ring currents on outer nanotubes in DWNTs. The NMR chemical shift anisotropy (CSA) spectra and spin-lattice relaxation studies reveal the metallic properties of the inner nanotubes with a signature of the spin-gap opening below 70 K.

  9. Investigation of multipactoring discharge in an H-type resonator of an ion linac

    International Nuclear Information System (INIS)

    Lobzev, L.D.; Mazalov, Yu.P.; Gusev, E.V.; Shulika, N.G.

    1993-01-01

    The study on the variation of parameters of an auto generator power supply of an ion linear accelerator which is under construction on the base of the H-type resonator with drift tube comb mounts has been made. The main attention was paid to investigating multipactor discharges. It is concluded, that presence of secondary autonomous self-oscillation circuit providing the field rise with the frequency close to operation frequency leads to the decrease of multipactor discharge intensity level, which is enough for the elimination of their harmful effect on accelerator steady-state performance. 8 refs., 3 figs

  10. Broadband stimulated Raman spectroscopy in the deep ultraviolet region

    Science.gov (United States)

    Kuramochi, Hikaru; Fujisawa, Tomotsumi; Takeuchi, Satoshi; Tahara, Tahei

    2017-09-01

    We report broadband stimulated Raman measurements in the deep ultraviolet (DUV) region, which enables selective probing of the aromatic amino acid residues inside proteins through the resonance enhancement. We combine the narrowband DUV Raman pump pulse (1000 cm-1) to realize stimulated Raman measurements covering a >1500 cm-1 spectral window. The stimulated Raman measurements for neat solvents, tryptophan, tyrosine, and glucose oxidase are performed using 240- and 290-nm Raman pump, highlighting the high potential of the DUV stimulated Raman probe for femtosecond time-resolved study of proteins.

  11. Micro-Raman scattering and dielectric investigations of phase transitions behavior in the PbHf0.7Sn0.3O3 single crystal

    Science.gov (United States)

    Jankowska-Sumara, Irena; Ko, Jae-Hyeon; Podgórna, Maria; Oh, Soo Han; Majchrowski, Andrzej

    2017-09-01

    Raman light scattering was used to detect the sequence of transitions in a PbHf1-xSnxO3 (PHS) single crystal with x = 0.30 in a temperature range of 77-873 K. Changes of Raman spectra were observed in the vicinity of structural phase transitions: between the antiferroelectric (AFE1)-antiferroelectric (AFE2)—intermediate—paraelectric phases. Light scattering and dielectric investigations were used to find out the nature and sequence of the phase transition, as well as the large dielectric permittivity values measured at the phase transition, by searching for the soft-phonon-mode behavior. The experimentally recorded spectra were analyzed in terms of the damped-harmonic oscillator model for the phonon bands. It is demonstrated that the structural phase transformations in PHS can be considered as the result of softening of many modes, not only the ferroelectric one. It was also proved that locally broken symmetry effects are present at temperatures far above the Curie temperature and are connected with the softening of two optic modes of different nature.

  12. Spectrophotometric investigations of He-I/II resonance emissions with a rocket-borne multisensor resonance cell instrumentation

    International Nuclear Information System (INIS)

    Lay, G.; Fahr, H.J.; Wulf-Mathies, C.

    1980-01-01

    Terrestrial and extraterrestrial resonance emissions of neutral and ionized helium have been observed by means of a multiresonance cell device on board a Skylark 12 rocket. Results obtained during a successful rocket flight on October 12, 1979, from Natal, Brazil, are shown, and a preliminary data analysis is given. (Auth.)

  13. Experimental investigation of two-dimensional critical surface structure, stimulated Raman scattering, and two-plasmon decay instability. Annual report, January 1, 1981-April 30, 1982

    International Nuclear Information System (INIS)

    Wong, A.Y.; Eggleston, D.L.; Tanikawa, T.; Qian, S.J.

    1982-11-01

    Experimental observations of the space and time evolution of resonantly enhanced electrostatic electric fields and plasma density in cylindrical geometry demonstrate the development of two-dimensional caviton structure when an initial density perturbation is imposed on the plasma in the direction perpendicular to the driver field. This two-dimensional structure is observed after the development of profile modification and grows on the ion time scale. The existence of a large azimuthal electric field component is an observational signature of two-dimensional structure. Enhanced electric field maxima are found to be azimuthally correlated with the density minima. Both the density cavities and electric field peaks exhibit increased azimuthal location with the growth of two-dimensional structure. The two-dimensional development exhibits a strong dependence on both perturbation wavenumber and driver power. The related theoretical literature is reviewed and numerical, analytical, and qualitative hybrid models for a driven, two-dimensional, inhomogeneous plasma are presented. Preliminary work is presented in the following additional areas: weak magnetic field effects on critical surface physics, optical measurements of fast electron production, two-dimensional effects in microwave-plasma interactions, Langmuir wave trapping, stimulated Raman scattering and two-plasmon decay instability

  14. Investigation of electronic order using resonant soft X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Schlappa, J.

    2006-12-01

    The aim of this PhD work was the application of resonant soft X-ray diffraction technique for the investigation of electronic order in transition metal oxides at the TM L{sub 2,3}-edge, trying to obtain a quantitative understanding of the data. The method was first systematically explored through application to a model system in order to test the feasibility of the technique and to understand of how X-ray optical effects have to be taken into account. Two more complex systems were investigated; stripe order in La{sub 1.8}Sr{sub 0.2}NiO{sub 4} and charge and orbital order in Fe{sub 3}O{sub 4}. The main focus of the work was on the spectroscopic potential of the technique, trying to obtain a level of quantitative description of the data. For X-ray absorption spectroscopy (XAS) from transition metal oxides, cluster configuration interaction calculation provides a powerful and realistic microscopic theory. In the frame work of this thesis cluster theory, considering explicit hybridization effects between the TM-ion and the surrounding oxygen ligands, has been applied for the first time to describe resonant diffraction data. (orig.)

  15. Investigation of electronic order using resonant soft X-ray diffraction

    International Nuclear Information System (INIS)

    Schlappa, J.

    2006-01-01

    The aim of this PhD work was the application of resonant soft X-ray diffraction technique for the investigation of electronic order in transition metal oxides at the TM L 2,3 -edge, trying to obtain a quantitative understanding of the data. The method was first systematically explored through application to a model system in order to test the feasibility of the technique and to understand of how X-ray optical effects have to be taken into account. Two more complex systems were investigated; stripe order in La 1.8 Sr 0.2 NiO 4 and charge and orbital order in Fe 3 O 4 . The main focus of the work was on the spectroscopic potential of the technique, trying to obtain a level of quantitative description of the data. For X-ray absorption spectroscopy (XAS) from transition metal oxides, cluster configuration interaction calculation provides a powerful and realistic microscopic theory. In the frame work of this thesis cluster theory, considering explicit hybridization effects between the TM-ion and the surrounding oxygen ligands, has been applied for the first time to describe resonant diffraction data. (orig.)

  16. An Anomalous Enhancement of the A(g)(2) Mode in the Resonance Raman Spectra of C-60 Embedded in Single-Walled Carbon Nanotubes during Anodic Charging

    Czech Academy of Sciences Publication Activity Database

    Kalbáč, Martin; Zólyomi, V.; Rusznyák, A.; Koltai, J.; Kürti, J.; Kavan, Ladislav

    2010-01-01

    Roč. 114, č. 6 (2010), 2505-2511 ISSN 1932-7447 R&D Projects: GA AV ČR IAA400400804; GA AV ČR IAA400400911; GA AV ČR KAN200100801; GA ČR GC203/07/J067 Institutional research plan: CEZ:AV0Z40400503 Keywords : spectroelectrochemie * Raman spectra * SWNT Subject RIV: CG - Electrochemistry Impact factor: 4.520, year: 2010

  17. CV Raman

    Indian Academy of Sciences (India)

    formatted to take advantage of the changes in publishing methods in the past thirty ..... This work would not have been possible without the support and en- couragement of ..... in which Raman made his decision, have a deeper significance than .... Light in Water and the Colour of the Sea within a month of his return to India ...

  18. Shape-dependent surface-enhanced Raman scattering in gold–Raman-probe–silica sandwiched nanoparticles for biocompatible applications

    International Nuclear Information System (INIS)

    Li Ming; Cushing, Scott K; Lankford, Jessica; Wu, Nianqiang; Zhang Jianming; Ma Dongling; Aguilar, Zoraida P

    2012-01-01

    To meet the requirement of Raman probes (labels) for biocompatible applications, a synthetic approach has been developed to sandwich the Raman-probe (malachite green isothiocyanate, MGITC) molecules between the gold core and the silica shell in gold–SiO 2 composite nanoparticles. The gold–MGITC–SiO 2 sandwiched structure not only prevents the Raman probe from leaking out but also improves the solubility of the nanoparticles in organic solvents and in aqueous solutions even with high ionic strength. To amplify the Raman signal, three types of core, gold nanospheres, nanorods and nanostars, have been chosen as the substrates of the Raman probe. The effect of the core shape on the surface-enhanced Raman scattering (SERS) has been investigated. The colloidal nanostars showed the highest SERS enhancement factor while the nanospheres possessed the lowest SERS activity under excitation with 532 and 785 nm lasers. Three-dimensional finite-difference time domain (FDTD) simulation showed significant differences in the local electromagnetic field distributions surrounding the nanospheres, nanorods, and nanostars, which were induced by the localized surface plasmon resonance (LSPR). The electromagnetic field was enhanced remarkably around the two ends of the nanorods and around the sharp tips of the nanostars. This local electromagnetic enhancement made the dominant contribution to the SERS enhancement. Both the experiments and the simulation revealed the order nanostars > nanorods > nanospheres in terms of the enhancement factor. Finally, the biological application of the nanostar–MGITC–SiO 2 nanoparticles has been demonstrated in the monitoring of DNA hybridization. In short, the gold–MGITC–SiO 2 sandwiched nanoparticles can be used as a Raman probe that features high sensitivity, good water solubility and stability, low-background fluorescence, and the absence of photobleaching for future biological applications. (paper)

  19. Mass and Position Determination in MEMS Resonant Mass Sensors: Theoretical and Experimental Investigation

    KAUST Repository

    Bouchaala, Adam M.; Nayfeh, Ali H.; Jaber, Nizar; Younis, Mohammad I.

    2016-01-01

    We present a method to determine accurately the position and mass of an entity attached to the surface of an electrostatically actuated clamped-clamped microbeam implemented as a mass sensor. In the theoretical investigation, the microbeam is modeled as a nonlinear Euler-Bernoulli beam and a perturbation technique is used to develop a closed-form expression for the frequency shift due to an added mass at a specific location on the microbeam surface. The experimental investigation was conducted on a microbeam made of Polyimide with a special lower electrode to excite both of the first and second modes of vibration. Using an ink-jet printer, we deposited droplets of polymers with a defined mass and position on the surface of the microbeam and we measured the shifts in its resonance frequencies. The theoretical predictions of the mass and position of the deposited droplets match well with the experimental measurements.

  20. Mass and Position Determination in MEMS Resonant Mass Sensors: Theoretical and Experimental Investigation

    KAUST Repository

    Bouchaala, Adam M.

    2016-12-05

    We present a method to determine accurately the position and mass of an entity attached to the surface of an electrostatically actuated clamped-clamped microbeam implemented as a mass sensor. In the theoretical investigation, the microbeam is modeled as a nonlinear Euler-Bernoulli beam and a perturbation technique is used to develop a closed-form expression for the frequency shift due to an added mass at a specific location on the microbeam surface. The experimental investigation was conducted on a microbeam made of Polyimide with a special lower electrode to excite both of the first and second modes of vibration. Using an ink-jet printer, we deposited droplets of polymers with a defined mass and position on the surface of the microbeam and we measured the shifts in its resonance frequencies. The theoretical predictions of the mass and position of the deposited droplets match well with the experimental measurements.

  1. Structural investigations of borosilicate glasses containing MoO{sub 3} by MAS NMR and Raman spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Caurant, D., E-mail: daniel-caurant@enscp.f [Laboratoire de Chimie de la Matiere Condensee de Paris, UMR-CNRS 7574, Ecole Nationale Superieure de Chimie de Paris (ENSCP, ParisTech), 11 rue Pierre et Marie Curie, 75231 Paris (France); Majerus, O.; Fadel, E.; Quintas, A. [Laboratoire de Chimie de la Matiere Condensee de Paris, UMR-CNRS 7574, Ecole Nationale Superieure de Chimie de Paris (ENSCP, ParisTech), 11 rue Pierre et Marie Curie, 75231 Paris (France); Gervais, C. [Laboratoire de Chimie de la Matiere Condensee de Paris, UMR-CNRS 7574, Universite Pierre et Marie Curie, 75252 Paris (France); Charpentier, T. [CEA, IRAMIS, Service Interdisciplinaire sur les Systemes Moleculaires et Materiaux, CEA Saclay, 91191 Gif-sur-Yvette (France); Neuville, D. [Physique des Mineraux et des Magmas, UMR-CNRS 7047, Institut de Physique du Globe, place Jussieu, 75252 Paris (France)

    2010-01-01

    High molybdenum concentration in glass compositions may lead to alkali and alkaline-earth molybdates crystallization during melt cooling that must be controlled particularly during the preparation of highly radioactive nuclear glassy waste forms. To understand the effect of molybdenum addition on the structure of a simplified nuclear glass and to know how composition changes can affect molybdates crystallization tendency, the structure of two glass series belonging to the SiO{sub 2}-B{sub 2}O{sub 3}-Na{sub 2}O-CaO-MoO{sub 3} system was studied by {sup 29}Si, {sup 11}B, {sup 23}Na MAS NMR and Raman spectroscopies by increasing MoO{sub 3} or B{sub 2}O{sub 3} concentrations. Increasing MoO{sub 3} amount induced an increase of the silicate network reticulation but no significant effect was observed on the proportion of BO{sub 4}{sup -} units and on the distribution of Na{sup +} cations in glass structure. By increasing B{sub 2}O{sub 3} concentration, a strong evolution of the distribution of Na{sup +} cations was observed that could explain the evolution of the nature of molybdate crystals (CaMoO{sub 4} or Na{sub 2}MoO{sub 4}) formed during melt cooling.

  2. Numerical investigation of a tunable band-pass plasmonic filter with a hollow-core ring resonator

    Science.gov (United States)

    Setayesh, Amir; Mirnaziry, S. Reza; Sadegh Abrishamian, Mohammad

    2011-03-01

    In this study, a compact nanoscale plasmonic filter which consists of two metal-insulator-metal (MIM) waveguides coupled to each other by a rectangular ring resonator is presented and investigated numerically. The propagating modes of surface plasmon polaritons (SPPs) are studied in this structure. By replacing a portion of the ring core with air, while the outer dimensions of the structure are kept constant, we illustrate the possibility of the redshift of resonant wavelengths in order to tune the resonance modes. This feature is useful for integrated circuits in which we have limitations on the outer dimensions of the filter structure and it is not possible to enlarge the dimension of the ring resonator to reach longer resonant wavelengths. The corresponding results are illustrated by the 2D finite-difference time-domain (FDTD) method. The proposed structure has potential applications in plasmonic integrated circuits and can be simply fabricated.

  3. Numerical investigation of a tunable band-pass plasmonic filter with a hollow-core ring resonator

    International Nuclear Information System (INIS)

    Setayesh, Amir; Mirnaziry, S Reza; Abrishamian, Mohammad Sadegh

    2011-01-01

    In this study, a compact nanoscale plasmonic filter which consists of two metal–insulator–metal (MIM) waveguides coupled to each other by a rectangular ring resonator is presented and investigated numerically. The propagating modes of surface plasmon polaritons (SPPs) are studied in this structure. By replacing a portion of the ring core with air, while the outer dimensions of the structure are kept constant, we illustrate the possibility of the redshift of resonant wavelengths in order to tune the resonance modes. This feature is useful for integrated circuits in which we have limitations on the outer dimensions of the filter structure and it is not possible to enlarge the dimension of the ring resonator to reach longer resonant wavelengths. The corresponding results are illustrated by the 2D finite-difference time-domain (FDTD) method. The proposed structure has potential applications in plasmonic integrated circuits and can be simply fabricated

  4. Fabrication of Annealed Gold Nanostructures on Pre-Treated Glow-Discharge Cleaned Glasses and Their Used for Localized Surface Plasmon Resonance (LSPR and Surface Enhanced Raman Spectroscopy (SERS Detection of Adsorbed (Biomolecules

    Directory of Open Access Journals (Sweden)

    Rodica Elena Ionescu

    2017-01-01

    Full Text Available Metallic nanoparticles are considered as active supports in the development of specific chemical or biological biosensors. Well-organized nanoparticles can be prepared either through expensive (e.g., electron beam lithography or inexpensive (e.g., thermal synthesis approaches where different shapes of nanoparticles are easily obtained over large solid surfaces. Herein, the authors propose a low-cost thermal synthesis of active plasmonic nanostructures on thin gold layers modified glass supports after 1 h holding on a hot plate (~350 °C. The resulted annealed nanoparticles proved a good reproducibility of localized surface plasmon resonance (LSPR and surface enhanced Raman spectroscopy (SERS optical responses and where used for the detection of low concentrations of two model (biochemical molecules, namely the human cytochrome b5 (Cyt-b5 and trans-1,2-bis(4-pyridylethylene (BPE.

  5. Investigation of DC current injection effect on the microwave characteristics of HTS YBCO microstrip resonators

    Energy Technology Data Exchange (ETDEWEB)

    Nurgaliev, T., E-mail: timur@ie.bas.bg [Institute of Electronics, Bulgarian Academy of Sciences, 72 Tsarigradsko Chausse, 1784 Sofia (Bulgaria); Blagoev, B.; Mateev, E.; Neshkov, L. [Institute of Electronics, Bulgarian Academy of Sciences, 72 Tsarigradsko Chausse, 1784 Sofia (Bulgaria); Strbik, V. [Institute of Electrical Engineering, Slovak Academy of Sciences, Dúbravská cesta 9, 841 04 Bratislava (Slovakia); Uspenskaya, L. [Institute of Solid State Physics, Russian Academy of Sciences, 142432 Chernogolovka, Moscow (Russian Federation); Nedkov, I. [Institute of Electronics, Bulgarian Academy of Sciences, 72 Tsarigradsko Chausse, 1784 Sofia (Bulgaria); Chromik, Š. [Institute of Electrical Engineering, Slovak Academy of Sciences, Dúbravská cesta 9, 841 04 Bratislava (Slovakia)

    2014-03-15

    Highlights: • Current (spin) injection effect in LSMO/YBCO was studied by impedance measurements. • Complex impedance of YBCO increases at current injection from LSMO to YBCO at 77 K. • This increase is due to an increase of the quasiparticle conductivity of YBCO. • Injection does not significantly affect the relaxation time of the quasiparticles. - Abstract: The DC current injection effect from a ferromagnetic (FM) La{sub 0.7}Sr{sub 0.3}MnO{sub 3} (LSMO) to a high temperature superconducting (HTS) Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7−x} (YBCO) thin film was investigated by the microwave surface impedance measurements in a FM/HTS structure, formed as a microstrip resonator for improving the sensitivity of the experiments. The quality factor and the resonance frequency of this structure were found to strongly depend on the current strength, injected from the LSMO electrode into the HTS microstrip electrode. The magnetic penetration depth and the quasiparticle conductivity of the HTS component were determined to increase under DC current injection process, which in all probability stimulated breaking of Cooper pairs and led to a decrease of the superfluid concentration and an increase of the normal fluid concentration without significantly affecting the relaxation time of the quasiparticles.

  6. Experimental investigation of shaping disturbance observer design for motion control of precision mechatronic stages with resonances

    Science.gov (United States)

    Yang, Jin; Hu, Chuxiong; Zhu, Yu; Wang, Ze; Zhang, Ming

    2017-08-01

    In this paper, shaping disturbance observer (SDOB) is investigated for precision mechatronic stages with middle-frequency zero/pole type resonance to achieve good motion control performance in practical manufacturing situations. Compared with traditional standard disturbance observer (DOB), in SDOB a pole-zero cancellation based shaping filter is cascaded to the mechatronic stage plant to meet the challenge of motion control performance deterioration caused by actual resonance. Noting that pole-zero cancellation is inevitably imperfect and the controller may even consequently become unstable in practice, frequency domain stability analysis is conducted to find out how each parameter of the shaping filter affects the control stability. Moreover, the robust design criterion of the shaping filter, and the design procedure of SDOB, are both proposed to guide the actual design and facilitate practical implementation. The SDOB with the proposed design criterion is applied to a linear motor driven stage and a voice motor driven stage, respectively. Experimental results consistently validate the effectiveness nature of the proposed SDOB scheme in practical mechatronics motion applications. The proposed SDOB design actually could be an effective unit in the controller design for motion stages of mechanical manufacture equipments.

  7. Investigation of resonant polarization radiation of relativistic electrons in gratings at small angles

    International Nuclear Information System (INIS)

    Aleinik, A.N.; Chefonov, O.V.; Kalinin, B.N.; Naumenko, G.A.; Potylitsyn, A.P.; Saruev, G.A.; Sharafutdinov, A.F.

    2003-01-01

    The resonant optical polarization radiation (ROPR) in the Smith-Purcell geometry and the one from the inclined grating at the Tomsk synchrotron and 6-MeV microtron have been investigated. The polarization radiation was observed at 4.2 deg. from the 200 MeV electron beam and at 5 deg. from the 6.2 MeV electron beam. Two methods of measurement of ROPR maxima in these two cases have been used. In the first case (the experiment on synchrotron) we have fixed the wavelength of radiation using an optical filter; the orientation dependence of this radiation was measured. In this dependence we have observed two peaks of radiation from electrons in gold foil grating of 0.1 mm period. The first large peak is a zeroth order peak in direction of specular reflection, and the second one is the first-order peak of resonant polarization radiation. In the experiment on microtron the spectra of ROPR from aluminum foil strip grating of 0.2 mm period in the Smith-Purcell geometry were measured, and the peak of the first-order Smith-Purcell radiation in these spectra was observed. The comparison of data obtained with the simulation results has been performed

  8. Investigation of the Cross-Section Stratifications of Icons Using Micro-Raman and Micro-Fourier Transform Infrared (FT-IR) Spectroscopy.

    Science.gov (United States)

    Lazidou, Dimitra; Lampakis, Dimitrios; Karapanagiotis, Ioannis; Panayiotou, Costas

    2018-01-01

    The cross-section stratifications of samples, which were removed from six icons, are studied using optical microscopy, micro-Raman spectroscopy, and micro-Fourier transform infrared (FT-IR) spectroscopy. The icons, dated from the 14th to 19th centuries, are prominent examples of Byzantine painting art and are attributed to different artistic workshops of ​​northern Greece. The following materials are identified in the cross-sections of the icon samples using micro-Raman spectroscopy: anhydrite; calcite; carbon black; chrome yellow; cinnabar; gypsum; lead white; minium; orpiment; Prussian blue; red ochre; yellow ochre; and a paint of organic origin which can be either indigo ( Indigofera tinctoria L. and others) or woad ( Isatis tinctoria L.). The same samples are investigated using micro-FT-IR which leads to the following identifications: calcite; calcium oxalates; chrome yellow; gypsum; kaolinite; lead carboxylates; lead sulfate (or quartz); lead white; oil; protein; Prussian blue; saponified oil; shellac; silica; and tree resin. The study of the cross-sections of the icon samples reveals the combinations of the aforementioned inorganic and organic materials. Although the icons span over a long period of six centuries, the same stratification comprising gypsum ground layer, paint layers prepared by modified "egg tempera" techniques (proteinaceous materials mixed with oil and resins), and varnish layer is revealed in the investigated samples. Moreover, the presence of three layers of varnishes, one at the top and other two as intermediate layers, in the cross-section analysis of a sample from Virgin and Child provide evidence of later interventions.

  9. Microscopic theory of cavity-enhanced single-photon emission from optical two-photon Raman processes

    Science.gov (United States)

    Breddermann, Dominik; Praschan, Tom; Heinze, Dirk; Binder, Rolf; Schumacher, Stefan

    2018-03-01

    We consider cavity-enhanced single-photon generation from stimulated two-photon Raman processes in three-level systems. We compare four fundamental system configurations, one Λ -, one V-, and two ladder (Ξ -) configurations. These can be realized as subsystems of a single quantum dot or of quantum-dot molecules. For a new microscopic understanding of the Raman process, we analyze the Heisenberg equation of motion applying the cluster-expansion scheme. Within this formalism an exact and rigorous definition of a cavity-enhanced Raman photon via its corresponding Raman correlation is possible. This definition for example enables us to systematically investigate the on-demand potential of Raman-transition-based single-photon sources. The four system arrangements can be divided into two subclasses, Λ -type and V-type, which exhibit strongly different Raman-emission characteristics and Raman-emission probabilities. Moreover, our approach reveals whether the Raman path generates a single photon or just induces destructive quantum interference with other excitation paths. Based on our findings and as a first application, we gain a more detailed understanding of experimental data from the literature. Our analysis and results are also transferable to the case of atomic three-level-resonator systems and can be extended to more complicated multilevel schemes.

  10. Raman microspectroscopy, surface-enhanced Raman scattering microspectroscopy, and stable-isotope Raman microspectroscopy for biofilm characterization.

    Science.gov (United States)

    Ivleva, Natalia P; Kubryk, Patrick; Niessner, Reinhard

    2017-07-01

    Biofilms represent the predominant form of microbial life on our planet. These aggregates of microorganisms, which are embedded in a matrix formed by extracellular polymeric substances, may colonize nearly all interfaces. Detailed knowledge of microorganisms enclosed in biofilms as well as of the chemical composition, structure, and functions of the complex biofilm matrix and their changes at different stages of the biofilm formation and under various physical and chemical conditions is relevant in different fields. Important research topics include the development and improvement of antibiotics and medical devices and the optimization of biocides, antifouling strategies, and biological wastewater treatment. Raman microspectroscopy is a capable and nondestructive tool that can provide detailed two-dimensional and three-dimensional chemical information about biofilm constituents with the spatial resolution of an optical microscope and without interference from water. However, the sensitivity of Raman microspectroscopy is rather limited, which hampers the applicability of Raman microspectroscopy especially at low biomass concentrations. Fortunately, the resonance Raman effect as well as surface-enhanced Raman scattering can help to overcome this drawback. Furthermore, the combination of Raman microspectroscopy with other microscopic techniques, mass spectrometry techniques, or particularly with stable-isotope techniques can provide comprehensive information on monospecies and multispecies biofilms. Here, an overview of different Raman microspectroscopic techniques, including resonance Raman microspectroscopy and surface-enhanced Raman scattering microspectroscopy, for in situ detection, visualization, identification, and chemical characterization of biofilms is given, and the main feasibilities and limitations of these techniques in biofilm research are presented. Future possibilities of and challenges for Raman microspectroscopy alone and in combination with other

  11. Combined antenna and localized plasmon resonance in Raman scattering from random arrays of silver-coated, vertically aligned multiwalled carbon nanotubes.

    Science.gov (United States)

    Dawson, P; Duenas, J A; Boyle, M G; Doherty, M D; Bell, S E J; Kern, A M; Martin, O J F; Teh, A-S; Teo, K B K; Milne, W I

    2011-02-09

    The electric field enhancement associated with detailed structure within novel optical antenna nanostructures is modeled using the surface integral equation technique in the context of surface-enhanced Raman scattering (SERS). The antennae comprise random arrays of vertically aligned, multiwalled carbon nanotubes dressed with highly granular Ag. Different types of "hot-spot" underpinning the SERS are identified, but contrasting characteristics are revealed. Those at the outer edges of the Ag grains are antenna driven with field enhancement amplified in antenna antinodes while intergrain hotspots are largely independent of antenna activity. Hot-spots between the tops of antennae leaning towards each other also appear to benefit from antenna amplification.

  12. Coordination Environment of Copper Sites in Cu-CHA Zeolite Investigated by Electron Paramagnetic Resonance

    DEFF Research Database (Denmark)

    Godiksen, Anita; Stappen, Frederick N.; Vennestrøm, Peter N. R.

    2014-01-01

    Cu-CHA combines high activity for the selective catalytic reduction (SCR) reaction with better hydrothermal stability and selectivity compared to other copper-substituted zeolites. At the same time Cu-CHA offers an opportunity for unraveling the coordination environment of the copper centers since...... the zeolite framework is very simple with only one crystallographically independent tetrahedral site (T-site). In this study the results of an X-band electron paramagnetic resonance (EPR) investigation of ion-exchanged Cu-CHA zeolite with a Si/Al ratio of 14 ± 1 is presented. Different dehydration treatments...... of the EPR silent monomeric Cu2+ in copper-substituted zeolites is suggested to be copper species with an approximate trigonal coordination sphere appearing during the dehydration. After complete dehydration at 250 °C the majority of the EPR silent Cu2+ is suggested to exist as Cu2+–OH– coordinated to two...

  13. Applicability of ultralow-frequency global resonances for investigating lightning activity on Venus

    International Nuclear Information System (INIS)

    Nikolaenko, A.P.; Rabinovich, L.M.

    1987-01-01

    The application to experiments on Venus of methods of investigating global lightning activity that are used on earth in the ultralow-frequency range is discussed. Calculations of the electromagnetic fields in the range from a few Hertz to tens of Hertz are carried out in the framework of the model of the lower ionosphere of Venus, which generalizes the information about the planet's atmosphere which is presently available. The calculations showed that observations of global resonances on Venus must, as on the earth, allow one to obtain data about the global distribution of lightning in space and time, and to make the values of the parameters of the lower ionosphere model more precise

  14. Nuclear magnetic resonance investigation of erythrocyte membranes in chronic myeloproliferative disorders.

    Science.gov (United States)

    Morariu, V V; Petrov, L

    1986-07-01

    The temperature dependence of the apparent water diffusional exchange through erythrocyte membranes in cases of policitemia vera, chronic granulocytic leukemia and primary myelofibrosis was measured by using a nuclear magnetic resonance method in the presence of Mn2+. The thermal transition shifted to lower temperatures in all cases, regardless of the stage of the disease, suggesting a structural alteration of the membrane. The shift of transition indirectly suggests a lower penetration of the erythrocytes by Mn2+. The water exchange time at 37 degrees C also increased, mainly in the blast crisis; it seems to have a prognostic value of some clinical interest. No simple correlation of the water exchange and the following clinical investigations was observed: the white count, the percentage of promyelocites and myeloblasts, the sedimentation rate of blood, the osmotic fragility of erythrocytes, the total concentration of proteins, albumin and immunoglobulins, respectively, in plasma.

  15. Investigation and application of microwave electron cyclotron resonance plasma physical vapour deposition

    International Nuclear Information System (INIS)

    Ren Zhaoxing; Sheng Yanya; Shi Yicai; Wen Haihu; Cao Xiaowen

    1991-06-01

    The evaporating deposition of Ti film and Cu film by using microwave electron cyclotron resonance (ECR) technique was investigated. It deposition rate was about 50 nm/min and the temperature of the substrate was 50∼150 deg C. The thin amorphous films with strong adherent force were obtained. The sputtering deposition with ECR plasma was studied by employing higher plasma density and ionicity and negative substrate potential to make YBaCuO superconducting film. Its film was compact and amorphous with a thickness of 1.0 μm and the deposition rate was about 10 nm/min. The results show that this technique can initiate a high density and high ionicity plasma at lower gas pressure (10 -2 ∼10 -3 Pa). This plasma is the most suitable plasma source in thin film deposition process and surface treatment technique

  16. Investigation of optimal photoionization schemes for Sm by multi-step resonance ionization

    International Nuclear Information System (INIS)

    Cha, H.; Song, K.; Lee, J.

    1997-01-01

    Excited states of Sm atoms are investigated by using multi-color resonance enhanced multiphoton ionization spectroscopy. Among the ionization signals one observed at 577.86 nm is regarded as the most efficient excited state if an 1-color 3-photon scheme is applied. Meanwhile an observed level located at 587.42 nm is regarded as the most efficient state if one uses a 2-color scheme. For 2-color scheme a level located at 573.50 nm from this first excited state is one of the best second excited state for the optimal photoionization scheme. Based on this ionization scheme various concentrations of standard solutions for samarium are determined. The minimum amount of sample which can be detected by a 2-color scheme is determined as 200 fg. The detection sensitivity is limited mainly due to the pollution of the graphite atomizer. copyright 1997 American Institute of Physics

  17. The investigation of ferromagnetic resonance linewidth in Ni80Fe20 films with submicron rectangular elements

    Directory of Open Access Journals (Sweden)

    D. Zhang

    2016-05-01

    Full Text Available Patterned magnetic films with nano-scaled dots exhibit some special magnetic properties. In this paper, we investigate the in-plane shape anisotropy and the magnetization dynamic damping in permalloy (Ni80Fe20 arrays of submicron rectangular elements using ferromagnetic resonance (FMR. The FMR linewidth exhibits a dependence on the element size, and mainly comes from the contribution of the intrinsic damping. Also the contribution of two-magnon scattering plays an important role and is reduced with increasing aspect ratio. The damping coefficient decreases from 0.0129 to 0.0118 with the element length increasing from 300 nm to 1200 nm, and the theoretical calculation suggests that the change of damping results from the longitudinal and transverse interlayer spin current due to the spatially inhomogeneous magnetization dynamics.

  18. Investigation on phase noise of the signal from a singly resonant optical parametric oscillator

    Science.gov (United States)

    Jinxia, Feng; Yuanji, Li; Kuanshou, Zhang

    2018-04-01

    The phase noise of the signal from a singly resonant optical parametric oscillator (SRO) is investigated theoretically and experimentally. An SRO based on periodically poled lithium niobate is built up that generates the signal with a maximum power of 5.2 W at 1.5 µm. The intensity noise of the signal reaches the shot noise level for frequencies above 5 MHz. The phase noise of the signal oscillates depending on the analysis frequency, and there are phase noise peaks above the shot noise level at the peak frequencies. To explain the phase noise feature of the signal, a semi-classical theoretical model of SROs including the guided acoustic wave Brillouin scattering effect within the nonlinear crystal is developed. The theoretical predictions are in good agreement with the experimental results.

  19. Spectroscopic investigations of novel pharmaceuticals: Stability and resonant interaction with laser beam

    Science.gov (United States)

    Smarandache, Adriana; Boni, Mihai; Andrei, Ionut Relu; Handzlik, Jadwiga; Kiec-Kononowicz, Katarzyna; Staicu, Angela; Pascu, Mihail-Lucian

    2017-09-01

    This paper presents data about photophysics of two novel thio-hydantoins that exhibit promising pharmaceutical properties in multidrug resistance control. Time stability studies are necessary to establish the proper use of these compounds in different applications. As for their administration as drugs, it is imperative to know their shelf life, as well as storage conditions. At the same time, laser induced modified properties of the two new compounds are valuable to further investigate their specific interactions with other materials, including biological targets. The two new thio-hydantoins under generic names SZ-2 and SZ-7 were prepared as solutions in dimethyl sulfoxide at different concentrations, as well as in deionised water. For the stability assay they were kept in various light/temperature conditions up to 60 days. The stability was estimates based on UV-vis absorption measurements. The samples in bulk shape were exposed different time intervals to laser radiation emitted at 266 nm as the fourth harmonic of a Nd:YAG laser. The resonant interaction of the studied compounds with laser beams was analysed through spectroscopic methods UV-vis and FTIR absorption, as well as laser induced fluorescence spectroscopy. As for stability assay, only solutions kept in dark at 4 °C have preserved the absorption characteristics, considering the cumulated measuring errors, less than one week. The vibrational changes that occur in their FTIR and modified fluorescence spectra upon laser beam exposure are also discussed. A result of the experimental analysis is that modifications are induced in molecular structures of the investigated compounds by resonant interaction with laser radiation. This fact evidences that the molecules are photoreactive and their characteristics might be shaped through controlled laser radiation exposure using appropriate protocols. This conclusion opens many opportunities both in the biomedical field, but also in other industrial activities

  20. Frequency-asymmetric gain profile in a seeded Raman amplifier

    International Nuclear Information System (INIS)

    Repasky, K.S.; Carlsten, J.L.

    1996-01-01

    This paper examines the effect of index guiding on Raman gain. The slowly varying Maxwell wave equation including both the real and imaginary parts of the Raman susceptibility for a seeded Raman amplifier is explored. Using a Gauss-Laguerre mode expansion for the Stokes field, the output Stokes energy is numerically studied as a function of gain and detuning from the Raman resonance. The calculations indicate that the real part of the Raman susceptibility causes the Raman medium to act as a lens when the Stokes seed is detuned from the Raman resonance. This focusing effect leads to higher peak Stokes energy when the Stokes seed is tuned to the blue side of the Raman resonance. Specifically for Raman scattering in H 2 with a pump laser at 532 nm and an input seed near 683 nm, the peak Stokes energy can shift by as much as 300 MHz from the Raman resonance. An experiment which confirms these predictions is also presented. copyright 1996 The American Physical Society

  1. Raman investigation of lattice defects and stress induced in InP and GaN films by swift heavy ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Hu, P.P. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); University of Chinese Academy of Sciences (UCAS), Beijing 100049 (China); Liu, J., E-mail: J.Liu@impcas.ac.cn [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); Zhang, S.X. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); University of Chinese Academy of Sciences (UCAS), Beijing 100049 (China); Maaz, K. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); Nanomaterials Research Group, Physics Division, PINSTECH, Nilore, 45650 Islamabad (Pakistan); Zeng, J. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); Guo, H. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); University of Chinese Academy of Sciences (UCAS), Beijing 100049 (China); Zhai, P.F.; Duan, J.L.; Sun, Y.M.; Hou, M.D. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China)

    2016-04-01

    InP crystals and GaN films were irradiated by swift heavy ions {sup 86}Kr and {sup 209}Bi with kinetic energies of 25 and 9.5 MeV per nucleon and ion fluence in the range 5 × 10{sup 10} to 3.6 × 10{sup 12} ions/cm{sup 2}. The characteristic optical bands were studied by Raman spectroscopy to reveal the disorder and defects induced in the samples during the irradiation process. The crystallinity of InP and GaN was found to be deteriorated after irradiation by the swift heavy ions and resulted in the amorphous nature of the samples along the ion tracks. The amorphous tracks observed by transmission electron microscopy (TEM) images confirmed the formation of lattice defects. In typical F{sub 2}(LO) mode, in case of InP, the spectra shifted towards the lower wavenumbers with a maximum shift of 7.6 cm{sup −1} induced by 1030 MeV Bi ion irradiation. While in case of GaN, the typical E{sub 2}(high) mode shifted towards the higher wavenumbers, with maximum shift of 5.4 cm{sup −1} induced by 760 MeV Bi ion irradiation at ion fluence of 1 × 10{sup 12} ions/cm{sup 2}. The observed Raman shifts reveal the presence of lattice defects and disorder induced in the samples after irradiation by the swift heavy ions. This irradiation also generated lattice stress in the samples, which has been investigated and discussed in detail in this work.

  2. Electronic [UV-Visible] and vibrational [FT-IR, FT-Raman] investigation and NMR-mass spectroscopic analysis of terephthalic acid using quantum Gaussian calculations

    Science.gov (United States)

    Karthikeyan, N.; Joseph Prince, J.; Ramalingam, S.; Periandy, S.

    2015-03-01

    In this research work, the vibrational IR, polarization Raman, NMR and mass spectra of terephthalic acid (TA) were recorded. The observed fundamental peaks (IR, Raman) were assigned according to their distinctiveness region. The hybrid computational calculations were carried out for calculating geometrical and vibrational parameters by DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The molecular mass spectral data related to base molecule and substitutional group of the compound was analyzed. The modification of the chemical property by the reaction mechanism of the injection of dicarboxylic group in the base molecule was investigated. The 13C and 1H NMR spectra were simulated by using the gauge independent atomic orbital (GIAO) method and the absolute chemical shifts related to TMS were compared with experimental spectra. The study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, were performed by hybrid Gaussian calculation methods. The orbital energies of different levels of HOMO and LUMO were calculated and the molecular orbital lobe overlapping showed the inter charge transformation between the base molecule and ligand group. From the frontier molecular orbitals (FMO), the possibility of electrophilic and nucleophilic hit also analyzed. The NLO activity of the title compound related to Polarizability and hyperpolarizability were also discussed. The present molecule was fragmented with respect to atomic mass and the mass variation depends on the substitutions have also been studied.

  3. Electronic [UV-Visible] and vibrational [FT-IR, FT-Raman] investigation and NMR-mass spectroscopic analysis of terephthalic acid using quantum Gaussian calculations.

    Science.gov (United States)

    Karthikeyan, N; Prince, J Joseph; Ramalingam, S; Periandy, S

    2015-03-15

    In this research work, the vibrational IR, polarization Raman, NMR and mass spectra of terephthalic acid (TA) were recorded. The observed fundamental peaks (IR, Raman) were assigned according to their distinctiveness region. The hybrid computational calculations were carried out for calculating geometrical and vibrational parameters by DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The molecular mass spectral data related to base molecule and substitutional group of the compound was analyzed. The modification of the chemical property by the reaction mechanism of the injection of dicarboxylic group in the base molecule was investigated. The (13)C and (1)H NMR spectra were simulated by using the gauge independent atomic orbital (GIAO) method and the absolute chemical shifts related to TMS were compared with experimental spectra. The study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, were performed by hybrid Gaussian calculation methods. The orbital energies of different levels of HOMO and LUMO were calculated and the molecular orbital lobe overlapping showed the inter charge transformation between the base molecule and ligand group. From the frontier molecular orbitals (FMO), the possibility of electrophilic and nucleophilic hit also analyzed. The NLO activity of the title compound related to Polarizability and hyperpolarizability were also discussed. The present molecule was fragmented with respect to atomic mass and the mass variation depends on the substitutions have also been studied. Crown Copyright © 2014. Published by Elsevier B.V. All rights reserved.

  4. Lattice dynamical investigation of the Raman and infrared wave numbers and heat capacity properties of the pyrochlores R2Zr2O7 (R = La, Nd, Sm, Eu)

    Science.gov (United States)

    Nandi, S.; Jana, Y. M.; Gupta, H. C.

    2018-04-01

    A short-range electrostatic forcefield model has been applied for the first time to investigate the Raman and infrared wave numbers in pyrochlore zirconates R2Zr2O7 (R3+ = La, Nd, Sm, Eu). The calculations of phonons involve five stretching and four bending force constants in the Wilson GF matrix method. The calculated phonon wave numbers are in reasonable agreement with the observed spectra in infrared and Raman excitation zones for all of these isomorphous compounds. The contributions of force constants to each mode show a similar trend of variation for all of these compounds. Furthermore, to validate the established forcefield model, we calculated the standard thermodynamic functions, e.g., molar heat capacity, entropy and enthalpy, and compared the results with the previous experimental data for each compound. Using the derived wave numbers for the acoustic and optical modes, the total phonon contribution to the heat capacity was calculated for all these zirconate compounds. The Schottky heat capacity contributions were also calculated for the magnetic compounds, Nd2Zr2O7, Sm2Zr2O7 and Eu2Zr2O7, taking account of crystal-field level schemes of the lanthanide ions. The derived total heat capacity and the integrated values of molar entropy and molar enthalpy showed satisfactory correlations at low temperatures with the experimental results available in the literature for these compounds. At higher temperatures, the discrepancies may be caused by the anharmonic effects of vibrations, phonon dispersion, distribution of phonon density of states, etc.

  5. Femtosecond stimulated Raman spectroscopy by six-wave mixing

    Energy Technology Data Exchange (ETDEWEB)

    Molesky, Brian P.; Guo, Zhenkun; Moran, Andrew M., E-mail: ammoran@email.unc.edu [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599 (United States)

    2015-06-07

    Femtosecond Stimulated Raman Spectroscopy (FSRS) is motivated by the knowledge of the molecular geometry changes that accompany sub-picosecond chemical reactions. The detection of vibrational resonances throughout the entire fingerprint region of the spectrum with sub-100-fs delay precision is fairly straightforward to accomplish with the FSRS technique. Despite its utility, FSRS must contend with substantial technical challenges that stem from a large background of residual laser light and lower-order nonlinearities when all laser pulses are electronically resonant with the equilibrium system. In this work, a geometry based on five incident laser beams is used to eliminate much of this undesired background in experiments conducted on metmyoglobin. Compared to a three-beam FSRS geometry with all electronically resonant laser pulses, the five-beam approach described here offers major improvements in the data acquisition rate, sensitivity, and background suppression. The susceptibility of the five-beam geometry to experimental artifacts is investigated using control experiments and model calculations. Of particular concern are undesired cascades of third-order nonlinearities, which are known to challenge FSRS measurements carried out on electronically off-resonant systems. It is generally understood that “forbidden” steps in the desired nonlinear optical processes are the origin of the problems encountered under off-resonant conditions. In contrast, the present experiments are carried out under electronically resonant conditions, where such unfortunate selection rules do not apply. Nonetheless, control experiments based on spectroscopic line shapes, signal phases, and sample concentrations are conducted to rule out significant contributions from cascades of third-order processes. Theoretical calculations are further used to estimate the relative intensities of the direct and cascaded responses. Overall, the control experiments and model calculations presented in

  6. Raman spectra of lithium compounds

    Science.gov (United States)

    Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.

    2017-11-01

    The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

  7. Confocal Raman microspectroscopy

    International Nuclear Information System (INIS)

    Puppels, G.J.

    1991-01-01

    Raman spectroscopy is a technique that provides detailed structural information about molecules studied. In the field of molecular biophysics it has been extensively used for characterization of nucleic acids and proteins and for investigation of interactions between these molecules. It was felt that this technique would have great potential if it could be applied for in situ study of these molecules and their interactions, at the level of single living cell or a chromosome. To make this possible a highly sensitive confocal Raman microspectrometer (CRM) was developed. The instrument is described in detail in this thesis. It incorporates a number of recent technological developments. First, it employs a liquid nitrogen cooled CCD-camera. This type of detector, first used in astronomy, is the ultimate detector for Raman spectroscopy because it combines high quantum efficiency light detection with photon-noise limited operation. Second, an important factor in obtaining a high signal throughput of the spectrometer was the development of a new type of Raman notch filter. In the third place, the confocal detection principle was applied in the CRM. This limits the effective measuring volume to 3 . (author). 279 refs., 48 figs., 11 tabs

  8. Investigation of the 232Th neutron cross-sections in resonance energy range

    International Nuclear Information System (INIS)

    Grigoriev, Yu.V.; Kitaev, V.Ya.; Sinitsa, V.V.; Zhuravlev, B.V.; Borzakov, S.B.; Faikov-Stanchik, H.; Ilchev, G.L.; Panteleev, Ts.Ts.; Kim, G.N.

    2001-01-01

    The alternative path in the development of atomic energy is the uranium-thorium cycle. In connection with this, the measurements of the 232 Th neutron capture and total cross-sections and its resonance self-shielding coefficients in resonance energy range are necessary because of their low accuracy. In this work, the results of the investigations of the thorium-232 neutron cross-sections are presented. The measurements have been carried out on the gamma-ray multisection liquid detector and neutron detector as a battery of boron counters on the 120 m flight path of the pulsed fast reactor IBR-30. As the filter samples were used the metallic disks of various thickness and diameter of 45 mm. Two plates from metallic thorium with thickness of 0.2 mm and with the square of 4.5x4.5 cm 2 were used as the radiator samples. The group neutron total and capture cross-sections within the accuracy of 2-7% in the energy range of (10 eV-10 keV) were obtained from the transmissions and the sum spectra of g-rays from the fourth multiplicity to the seventh one. The neutron capture group cross-sections of 238 U were used as the standard for obtaining of thorium ones. Analogous values were calculated on the GRUCON code with the ENDF/B-6, JENDL-3 evaluated data libraries. Within the limits of experimental errors an agreement between the experiment and calculation is observed, but in some groups the experimental values are larger than the calculated ones. (author)

  9. Enhanced magnetic resonance pulmonary perfusion imaging in diagnosing pulmonary embolism: preliminary investigation

    International Nuclear Information System (INIS)

    Huang Xiaoyong; Du Jing; Zhang Zhaoqi; Guo Xi; Yan Zixu; Jiang Hong; Wang Wei

    2005-01-01

    Objective: This study was designed to investigate the sensitivity and specificity of magnetic resonance pulmonary perfusion imaging (MRPP) in diagnosing pulmonary embolism (PE) compared with enhanced magnetic resonance pulmonary angiography (MRPA) and pulmonary radionuclide perfusion imaging. Methods: Fourteen patients were definitely diagnosed as PE, whose ages were from 19 to 71 years old and mean 45.5 ± 19.8 years old. All patients under went MRPA and MRPP and 3 patients were examined again after thrombolytic treatment. Five patients underwent pulmonary radionuclide perfusion imaging. Setting ROI in top, middle, bottom of lung area and abnormal area respectively, we detected signal intensity and time-signal curve to obtain the transformation rate of signal (TROS) during perfusion peak value. Results: In 14 pulmonary embolism patients, MRPA found 62 branches of pulmonary artery obstruction. Fifty-five abnormal pulmonary perfusion zones were found by MRPP, and the above results were very alike. The coincidence was 88.71%. In 14 cases, MRPP could show 25 subsegments lesion below segments. In 5 patients who had both results Of MRPP and ECT at the same time. MRPP shows 33 perfusion defect zones and 37 segments were found by ECT, the sensitivity was 89.19%. After thrombolytic treatment, both the status of the affected pulmonary artery improved markedly and perfusion defect zones reduced obviously in 3 cases by MRPP and MRPA. TROS in normal perfusion zones perfusion defect zones and low perfusion zones had significant difference (t=22.882, P<0.01). Conclusion: Contrast enhanced MR pulmonary perfusion can show both perfusion defect zones and low perfusion zones in pulmonary embolism. Time-signal curve can show the period of maximum no perfusion zones in pulmonary artery embolism zones. And the amplitude of fluctuation is small with miminum TROS. MRPP has significant values especially in showing pulmonary artery embolism in segments and subsegments. Using both MRPP and

  10. Phonon populations by nanosecond-pulsed Raman scattering in Si

    International Nuclear Information System (INIS)

    Compaan, A.; Lee, M.C.; Trott, G.J.

    1985-01-01

    Since the first time-resolved Raman studies of phonon populations under pulsed-laser-annealing conditions, a number of cw Raman studies have been performed which provide a much improved basis for interpreting the pulsed Raman data. Here we present new pulsed Raman results and interpret them with reference to temperature-dependent resonance effects, high-carrier-density effects, phonon anharmonicity, and laser-induced strain effects. The pulsed Raman data: Stokes to anti-Stokes ratios, shift and shape of the first-order peak, and second-order spectra: indicate the existence of a phase in which the Raman signal disappears followed by a rapidly cooling solid which begins within 300 K of the 1685 K normal melting temperature of Si. We identify a major difficulty in pulsed Raman studies in Si to be the decrease in Raman intensity at high temperatures

  11. Mode-dependent dispersion in Raman line shapes: Observation and implications from ultrafast Raman loss spectroscopy

    International Nuclear Information System (INIS)

    Umapathy, S.; Mallick, B.; Lakshmanna, A.

    2010-01-01

    Ultrafast Raman loss spectroscopy (URLS) enables one to obtain the vibrational structural information of molecular systems including fluorescent materials. URLS, a nonlinear process analog to stimulated Raman gain, involves a narrow bandwidth picosecond Raman pump pulse and a femtosecond broadband white light continuum. Under nonresonant condition, the Raman response appears as a negative (loss) signal, whereas, on resonance with the electronic transition the line shape changes from a negative to a positive through a dispersive form. The intensities observed and thus, the Franck-Condon activity (coordinate dependent), are sensitive to the wavelength of the white light corresponding to a particular Raman frequency with respect to the Raman pump pulse wavelength, i.e., there is a mode-dependent response in URLS.

  12. Investigation on the Quality Factor Limit of the (111 Silicon Based Disk Resonator

    Directory of Open Access Journals (Sweden)

    Xin Zhou

    2018-01-01

    Full Text Available Quality factor is one of the most important parameters for a MEMS resonator. Most MEMS resonators are dominated by thermoelastic dissipation (TED. This paper demonstrates that the TED in a disk resonator that is made of (111 single-crystal silicon is surpassed by clamping loss. The stiffness-mass decoupling design method, combined with reducing the beam width, was used to engineer high QTED. Experiments show that Q of the (111 disk resonator have an upper boundary that is determined by the clamping loss caused by the unbalanced out-of-plane displacement. The origin of the out-of-plane displacement is explained by theory and simulation.

  13. Analytical investigation of microwave resonances of a curling probe for low and high-pressure plasma diagnostics

    Science.gov (United States)

    Arshadi, Ali; Brinkmann, Ralf Peter

    2017-01-01

    The concept of ‘active plasma resonance spectroscopy’ (APRS) has attracted greater interest in recent years as an established plasma diagnostic technique. The APRS describes a class of related methods utilizing the intrinsic ability of plasma to resonate at or near the electron plasma frequency {ω\\text{pe}} . The Curling probe (CP) as a novel realization of the APRS idea, is a miniaturized spiral slot embedded flatly in the chamber wall. Consequently, a plasma diagnostic technique with minimum disturbance and without metal contamination can be developed. To measure the plasma parameters the CP is fed with a weak frequency-swept signal from the exterior of the plasma chamber by a network analyzer which also records the response of the plasma versus the frequency. The resonance behavior is strongly dependent on the electron density and the gas pressure. The CP has also the advantage of resonating at a frequency greater than {ω\\text{pe}} which is dependent on the spiral’s length. The double resonance characteristic gives the CP the ability to be applied in varying plasma regimes. Assuming that the spiralization does not have a considerable effect on the resonances, a ‘straightened’ infinite length CP has recently been investigated (Arshadi and Brinkmann 2016 Plasma Sources Sci. Technol. 25 045014) to obtain the surface wave resonances. This work generalizes the approach and models the CP by a rectangular slot-type resonator located between plasma and quartz. Cold plasma theory and Maxwell’s equations are utilized to compute the electromagnetic fields propagating into the plasma by the diffraction of an incident plane wave at the slot. A mathematical model is employed and both kinds of resonances are derived. The analytical study of this paper shows good agreement with the numerical results of the probe inventors.

  14. Graphene as a local probe to investigate near-field properties of plasmonic nanostructures

    Science.gov (United States)

    Wasserroth, Sören; Bisswanger, Timo; Mueller, Niclas S.; Kusch, Patryk; Heeg, Sebastian; Clark, Nick; Schedin, Fredrik; Gorbachev, Roman; Reich, Stephanie

    2018-04-01

    Light interacting with metallic nanoparticles creates a strongly localized near-field around the particle that enhances inelastic light scattering by several orders of magnitude. Surface-enhanced Raman scattering describes the enhancement of the Raman intensity by plasmonic nanoparticles. We present an extensive Raman characterization of a plasmonic gold nanodimer covered with graphene. Its two-dimensional nature and energy-independent optical properties make graphene an excellent material for investigating local electromagnetic near-fields. We show the localization of the near-field of the plasmonic dimer by spatial Raman measurements. Energy- and polarization-dependent measurements reveal the local near-field resonance of the plasmonic system. To investigate the far-field resonance we perform dark-field spectroscopy and find that near-field and far-field resonance energies differ by 170 meV, much more than expected from the model of a damped oscillator (40 meV).

  15. Raman and infrared investigations of glass and glass-ceramics with composition 2Na2O·1CaO·3SiO2

    OpenAIRE

    Ziemath, Ervino C.; Aegerter, Michel A.

    1994-01-01

    Precursor glass and glass-ceramics with molar composition 2Na2O·1CaO·3SiO2 are studied by infrared, conventional, and microprobe Raman techniques. The Gaussian deconvoluted Raman spectrum of the glass presents bands at 625 and 660 cm-1, attributed to bending vibrations of Si-O-Si bonds, and at 860, 920, 975 and 1030 cm-1, attributed to symmetric stretching vibrations of SiO4 tetrahedra with 4, 3, 2, and 1 nonbridging oxygens, respectively. The Raman microprobe spectrum of a highly crystalliz...

  16. Piezoelectric Resonance Investigation of Zr-rich PZT at Room Temperature

    NARCIS (Netherlands)

    Cereceda, N.; Noheda, B.; Fernandez-del-Castillo, J.R.; Gonzalo, J.A.; Frutos, J. De

    1999-01-01

    We study the piezoelectric resonances in poled PZT ceramics by means of a microscopic model. It connects the microscopic vibrations of the ionic units, cooperatively producing the piezoelectric effect, with the macroscopic piezoelectric parameters. The behaviour at the resonance is well described in

  17. Hydrogel-Embedded Model Photocatalytic System Investigated by Raman and IR Spectroscopy Assisted by Density Functional Theory Calculations and Two-Dimensional Correlation Analysis.

    Science.gov (United States)

    Geitner, Robert; Götz, Stefan; Stach, Robert; Siegmann, Michael; Krebs, Patrick; Zechel, Stefan; Schreyer, Kristin; Winter, Andreas; Hager, Martin D; Schubert, Ulrich S; Gräfe, Stefanie; Dietzek, Benjamin; Mizaikoff, Boris; Schmitt, Michael; Popp, Jürgen

    2018-03-15

    The presented study reports the synthesis and the vibrational spectroscopic characterization of different matrix-embedded model photocatalysts. The goal of the study is to investigate the interaction of a polymer matrix with photosensitizing dyes and metal complexes for potential future photocatalytic applications. The synthesis focuses on a new rhodamine B derivate and a Pt(II) terpyridine complex, which both contain a polymerizable methacrylate moiety and an acid labile acylhydrazone group. The methacrylate moieties are afterward utilized to synthesize functional model hydrogels mainly consisting of poly(ethylene glycol) methacrylate units. The pH-dependent and temperature-dependent behavior of the hydrogels is investigated by means of Raman and IR spectroscopy assisted by density functional theory calculations and two-dimensional correlation spectroscopy. The spectroscopic results reveal that the Pt(II) terpyridine complex can be released from the polymer matrix by cleaving the C═N bond in an acid environment. The same behavior could not be observed in the case of the rhodamine B dye although it features a comparable C═N bond. The temperature-dependent study shows that the water evaporation has a significant influence neither on the molecular structure of the hydrogel nor on the model photocatalytic moieties.

  18. Fourier transform Raman spectroscopy of polyacrylamide gels for radiation dosimetry

    International Nuclear Information System (INIS)

    Baldock, C.; Murry, P.; Pope, J.; Rintoul, L.; George, G.

    1998-01-01

    Polyacrylamide (PAG) gels are used in magnetic resonance imaging radiation dosimetry. The PAG dosimeter is based on the radiation-induced co-polymerisation and cross-linking of acrylic monomers infused in a gel matrix. PAG was manufactured with a composition of 5% gelatine, 3% acrylamide and 3% N,N'methylene-bis-acrylamide by mass, with distilled water as the remaining constituent [Baldock, 1998]. FT-Raman spectroscopy studies were undertaken to investigate cross-linking changes during the co-polymerisation of PAG in the spectral range of 200 - 3500 cm -1 . Vibrational bands of 1285 cm -1 and 1256 cm -1 were assigned to the acrylamide and bis-acrylamide single CH 2 δ CH2 binding modes. These bands were found to decrease in amplitude with increasing absorbed radiation dose, as a result of co-polymerisation. Principal Component Regression was performed on FT-Raman spectra of PAG samples irradiated to 50 Gy and two components were found to be sufficient to account for 98.7% of variance in the data. Cross validation was used to establish the absorbed radiation dose of an unknown PAG sample from the FT-Raman spectra. The calculated correlation coefficient between measured and predictive samples was 0.997 with a standard error of estimate of 0.976 and a standard error of prediction of 1.140. These results demonstrate the potential of FT-Raman spectroscopy for ionising radiation dosimetry using polyacrylamide gels

  19. Surface-enhanced Raman scattering from silver electrodes

    International Nuclear Information System (INIS)

    Trott, G.R.

    1982-01-01

    The chemical and physical origins of the anomalously large enhancement of the Raman scattering cross section for molecules adsorbed on silver electrodes in an electrochemical cell were investigated. The effect of the chemical reactions which occur during the anodization/activation procedure were studied using the Ag-CN system. It was shown that the function of the anodization process is to roughen the electrode surface and create an activated site for bonding to the cyanide. A new nonelectrochemical technique for activating the silver surface, along with a study of the enhanced cyanide Raman scattering in different background electrolytes, showed that the Raman active entity on the surface must be a silver-cyanide complex. In order to study the physical mechanism of the enhancement, the angular dependence of the scattered radiation was measured from pyridine adsorbed on an evaporated silver electrode. Both polycrystalline and single crystalline silver films were used. The angular dependence of the scattered radiation from these films showed that the metal surface was controlling the directional properties of the scattered radiation, and not the polarizability tensor of the adsorbate. Based on these experimental results, it was concluded that for weakly roughened silver electrodes the source of the anomalous enhancement is due to a resonant Raman scattering process

  20. Laser Raman Spectroscopy in studies of corrosion and electrocatalysis

    International Nuclear Information System (INIS)

    Melendres, C.A.

    1988-01-01

    Laser Raman Spectroscopy (LRS) has become an important tool for the in-situ structural study of electrochemical systems and processes in recent years. Following a brief introduction of the experimental techniques involved in applying LRS to electrochemical systems, we survey the literature for examples of studies in the inhibition of electrode reactions by surface films (e.g., corrosion and passivation phenomena) as well as the acceleration of reactions by electro-sorbates (electrocatalysis). We deal mostly with both normal and resonance Raman effects on fairly thick surface films in contrast to surface-enhanced Raman investigations of monolayer adsorbates, which is covered in another lecture. Laser Raman spectroelectrochemical studies of corrosion and film formation on such metals as Pb, Ag, Fe, Ni, Co, Cr, Au, stainless steel, etc. in various solution conditions are discussed. Further extension of the technique to studies in high-temperature and high-pressure aqueous environments is demonstrated. Results of studies of the structure of corrosion inhibitors are also presented. As applications of the LRS technique in the area of electrocatalysis, we cite studies of the structure of transition metal macrocyclic compounds, i.e., phthalocyanines and porphyrins, used for catalysis of the oxygen reduction reaction. 104 refs., 20 figs

  1. Investigation of Factors Affecting Body Temperature Changes During Routine Clinical Head Magnetic Resonance Imaging

    Science.gov (United States)

    Kim, Myeong Seong

    2016-01-01

    Background Pulsed radiofrequency (RF) magnetic fields, required to produce magnetic resonance imaging (MRI) signals from tissue during the MRI procedure have been shown to heat tissues. Objectives To investigate the relationship between body temperature rise and the RF power deposited during routine clinical MRI procedures, and to determine the correlation between this effect and the body’s physiological response. Patients and Methods We investigated 69 patients from the Korean national cancer center to identify the main factors that contribute to an increase in body temperature (external factors and the body’s response) during a clinical brain MRI. A routine protocol sequence of MRI scans (1.5 T and 3.0 T) was performed. The patient’s tympanic temperature was recorded before and immediately after the MRI procedure and compared with changes in variables related to the body’s physiological response to heat. Results Our investigation of the physiological response to RF heating indicated a link between increasing age and body temperature. A higher increase in body temperature was observed in older patients after a 3.0-T MRI (r = 0.07, P = 0.29 for 1.5-T MRI; r = 0.45, P = 0.002 for 3.0-T MRI). The relationship between age and body heat was related to the heart rate (HR) and changes in HR during the MRI procedure; a higher RF power combined with a reduction in HR resulted in an increase in body temperature. Conclusion A higher magnetic field strength and a decrease in the HR resulted in an increase in body temperature during the MRI procedure. PMID:27895872

  2. X-ray M4,5 Resonant Raman Scattering from La metal with final 4p hole: Calculations with 4p-4d-4f configuration interaction in the final state and comparison with the experiment

    International Nuclear Information System (INIS)

    Taguchi, M.; Braicovich, L.; Tagliaferri, A.; Dallera, C.; Giarda, K.; Ghiringhelli, G.; Brookes, N.B.; Borgatti, F.

    2001-03-01

    We consider the X-Ray Resonant Raman Scattering (RRS) in La in the whole M 4,5 region ending with a state with a 4p hole, along the sequence 3d 10 4f 0 →3d 9 4f 1 →3d 10 4p 5 4f 1 . The final state configuration mixes with that with two 4d holes i.e. 3d 10 4d 8 4f n+2 having almost the same energy. Thus RRS must be described by introducing final state Configuration Interaction (CI) between states with one 4p hole and with two 4d holes. This approach allows detailed experimental data on La-metal to be interpreted on the basis of a purely ionic approach. It is shown that the inclusion of CI is crucial and has very clear effects. The calculations with the Kramers-Heisenberg formula describe all measured spectral features appearing in the strict Raman regime i.e. dispersing with the incident photon energy. In the experiment also a nondispersive component is present when the excitation energy is greater than about 2 eV above the M 5 peak. The shape and position of this component is well accounted for by a model based on all possible partitions of the excitation energy between localised and extended states. However, the intensity of the nondispersive component is greater in the measurements, suggesting a rearrangement in the intermediate excited state. The comparison of ionic calculations with the metal measurements is legitimate, as shown by the comparison between the measurements on La-metal and on LaF 3 with M 5 excitation, giving the same spectrum within the experimental accuracy. Moreover, the experiment shows that the final lifetime broadening is much greater in the final states corresponding to lower outgoing photon energies than in the states corresponding to higher outgoing photon energies. (author)

  3. Assessment of T2-Weighted Coronal Magnetic Resonance Images in the Investigation of Pituitary Lesions

    International Nuclear Information System (INIS)

    Yuksekkaya, Ruken; Aggunlu, Levent; Oner, Yusuf; Celik, Halil; Akpek, Sergin; Celikyay, Fatih

    2014-01-01

    Magnetic resonance imaging is the most important diagnostic method in the investigation of the pituitary lesions. Our aim is to determine whether T2-weighted coronal images may be helpful in the evaluation of the pituitary gland with suspected pituitary adenomas. One hundred and sixty-seven patients were examined prospectively with T2-weighted coronal and T1-weighted coronal images enhanced with intravenous contrast material. The images were evaluated for the presence, the size, the location, and the ancillary signs including sellar floor erosion or ballooning, infindibulary deviation, convexity of the superior border of the gland, diffuse enlargement of the gland, and the invasion of the cavenous sinuses on both images. In forty-six (28%) patients lesions were revealed on both sequences. In twenty-one (12%) patients the lesions that were revealed on the T1-weighted images were not detected on the T2-weighted images. Positive predictive value, negative predictive value, sensitivity, specificity, and diagnostic accuracy rates of T2-weighted coronal images on the detection of the presence of lesions were 100%, 17.4%, 68.7%, 100%, and 87.4%, respectively. Both T2-weighted coronal and T1-weighted coronal images enhanced with intravenous gadolinium-based contrast material are important in the diagnosis of pituitary adenomas. T2-weighted coronal images could be used as a screening tool for the primary evaluation of the pituitary gland

  4. Investigation of defects in In–Ga–Zn oxide thin film using electron spin resonance signals

    International Nuclear Information System (INIS)

    Nonaka, Yusuke; Kurosawa, Yoichi; Komatsu, Yoshihiro; Ishihara, Noritaka; Oota, Masashi; Nakashima, Motoki; Hirohashi, Takuya; Takahashi, Masahiro; Yamazaki, Shunpei; Obonai, Toshimitsu; Hosaka, Yasuharu; Koezuka, Junichi; Yamauchi, Jun

    2014-01-01

    In–Ga–Zn oxide (IGZO) is a next-generation semiconductor material seen as an alternative to silicon. Despite the importance of the controllability of characteristics and the reliability of devices, defects in IGZO have not been fully understood. We investigated defects in IGZO thin films using electron spin resonance (ESR) spectroscopy. In as-sputtered IGZO thin films, we observed an ESR signal which had a g-value of g = 2.010, and the signal was found to disappear under thermal treatment. Annealing in a reductive atmosphere, such as N 2 atmosphere, generated an ESR signal with g = 1.932 in IGZO thin films. The temperature dependence of the latter signal suggests that the signal is induced by delocalized unpaired electrons (i.e., conduction electrons). In fact, a comparison between the conductivity and ESR signal intensity revealed that the signal's intensity is related to the number of conduction electrons in the IGZO thin film. The signal's intensity did not increase with oxygen vacancy alone but also with increases in both oxygen vacancy and hydrogen concentration. In addition, first-principle calculation suggests that the conduction electrons in IGZO may be generated by defects that occur when hydrogen atoms are inserted into oxygen vacancies

  5. Investigation of defects in In–Ga–Zn oxide thin film using electron spin resonance signals

    Energy Technology Data Exchange (ETDEWEB)

    Nonaka, Yusuke; Kurosawa, Yoichi; Komatsu, Yoshihiro; Ishihara, Noritaka; Oota, Masashi; Nakashima, Motoki; Hirohashi, Takuya; Takahashi, Masahiro; Yamazaki, Shunpei [Semiconductor Energy Laboratory Co., Ltd., 398 Hase, Atsugi, Kanagawa 243-0036 (Japan); Obonai, Toshimitsu; Hosaka, Yasuharu; Koezuka, Junichi [Advanced Film Device, Inc., 161-2 Masuzuka, Tsuga-machi, Tochigi, Tochigi 328-0114 (Japan); Yamauchi, Jun [Semiconductor Energy Laboratory Co., Ltd., 398 Hase, Atsugi, Kanagawa 243-0036 (Japan); Emeritus Professor of Kyoto University, Oiwake-cho, Kitashirakawa, Kyoto 606-8502 (Japan)

    2014-04-28

    In–Ga–Zn oxide (IGZO) is a next-generation semiconductor material seen as an alternative to silicon. Despite the importance of the controllability of characteristics and the reliability of devices, defects in IGZO have not been fully understood. We investigated defects in IGZO thin films using electron spin resonance (ESR) spectroscopy. In as-sputtered IGZO thin films, we observed an ESR signal which had a g-value of g = 2.010, and the signal was found to disappear under thermal treatment. Annealing in a reductive atmosphere, such as N{sub 2} atmosphere, generated an ESR signal with g = 1.932 in IGZO thin films. The temperature dependence of the latter signal suggests that the signal is induced by delocalized unpaired electrons (i.e., conduction electrons). In fact, a comparison between the conductivity and ESR signal intensity revealed that the signal's intensity is related to the number of conduction electrons in the IGZO thin film. The signal's intensity did not increase with oxygen vacancy alone but also with increases in both oxygen vacancy and hydrogen concentration. In addition, first-principle calculation suggests that the conduction electrons in IGZO may be generated by defects that occur when hydrogen atoms are inserted into oxygen vacancies.

  6. The Dynamics of a Doubly Clamped Microbeam Near the Primary Resonance: Experimental and Analytical Investigation

    KAUST Repository

    Masri, Karim M.

    2016-01-20

    We present experimental and analytical investigation of the dynamics of a doubly clamped microbeam near its primary resonance. The microbeam is excited electrostatically by an electrode on the first half of the beam. These microbeams are fabricated using polyimide as structural layer coated with nickel from top and chromium and gold layers from bottom. A noise signal is applied to experimentally detect the natural frequencies. Then, frequency sweep tests are generated for various values of DC bias revealing hardening, transition, and softening behavior of the microbeam. We report for the first time the transition from lower stable state, to unstable state, and then to large stable state experimentally. A multi-mode Galerkin method is used to develop a reduced order model (ROM) of the beam. Shooting method is used to find the periodic motion and is utilized to generate frequency response curves. The curves show good agreement with the experimental results with hardening behavior at lower DC voltage then softening at higher voltage loads and dynamic pull-in. © Copyright 2015 by ASME.

  7. Investigating the Dissolution Performance of Amorphous Solid Dispersions Using Magnetic Resonance Imaging and Proton NMR

    Directory of Open Access Journals (Sweden)

    Francesco Tres

    2015-09-01

    Full Text Available We have investigated the dissolution performance of amorphous solid dispersions of poorly water-soluble bicalutamide in a Kollidon VA64 polymeric matrix as a function of the drug loading (5% vs. 30% bicalutamide. A combined suite of state-of-the-art analytical techniques were employed to obtain a clear picture of the drug release, including an integrated magnetic resonance imaging UV-Vis flow cell system and 1H-NMR. Off-line 1H-NMR was used for the first time to simultaneously measure the dissolution profiles and rates of both the drug and the polymer from a solid dispersion. MRI and 1H-NMR data showed that the 5% drug loading compact erodes linearly, and that bicalutamide and Kollidon VA64 are released at approximately the same rate from the molecular dispersion. For the 30% extrudate, data indicated a slower water ingress into the compact which corresponds to a slower dissolution rate of both bicalutamide and Kollidon VA64.

  8. Properties of Cs-intercalated single wall carbon nanotubes investigated by 133Cs Nuclear Magnetic resonance

    KAUST Repository

    Schmid, Marc R.

    2012-11-01

    In the present study, we investigated Cs-intercalated single wall carbon nanotubes (SWCNTs) using 133Cs Nuclear Magnetic resonance. We show that there are two types of Cs cations depending on the insertion level. Indeed, at low concentrations, Static spectra analysis shows that the Cs (α)+ species are fully ionized, i.e. α equal ca.1, while at higher concentrations a second paramagnetically shifted line appears, indicating the formation of Cs (β)+ ions with β < α ∼ +1. At low concentrations and low temperatures the Cs (α)+ ions exhibit a weak hyperfine coupling to the SWCNT conduction electrons, whereas, at higher temperatures, a thermally activated slow-motion diffusion process of the Cs (α)+ ions occurs along the interstitial channels present within the carbon nanotube bundles. At high concentrations, the Cs (β)+ ions seem to occupy well defined positions relative to the carbon lattice. As a matter of fact, the Korringa relaxation behavior suggests a strong hyperfine coupling between Cs nuclei and conduction electrons in the carbon nanotubes and a partial charge transfer, which suggest a plausible Cs(6s)-C(2p) hybridization. © 2012 Elsevier Ltd. All rights reserved.

  9. Suppression of error in qubit rotations due to Bloch-Siegert oscillation via the use of off-resonant Raman excitation

    International Nuclear Information System (INIS)

    Pradhan, Prabhakar; Cardoso, George C; Shahriar, M S

    2009-01-01

    The rotation of a quantum bit (qubit) is an important step in quantum computation. The rotation is generally performed using a Rabi oscillation. In a direct two-level qubit system, if the Rabi frequency is comparable to its resonance frequency, the rotating wave approximation is not valid, and the Rabi oscillation is accompanied by the so-called Bloch-Siegert oscillation (BSO) that occurs at twice the frequency of the driving field. One implication of the BSO is that for a given interaction time and Rabi frequency, the degree of rotation experienced by the qubit depends explicitly on the initial phase of the driving field. If this effect is not controlled, it leads to an apparent fluctuation in the rotation of the qubit. Here we show that when an off-resonant lambda system is used to realize a two-level qubit, the BSO is inherently negligible, thus eliminating this source of potential error.

  10. Spins of adsorbed molecules investigated by the detection of Kondo resonance

    Science.gov (United States)

    Komeda, Tadahiro

    2014-12-01

    Surface magnetism has been one of the platforms to explore the magnetism in low dimensions. It is also a key component for the development of quantum information processes, which utilizes the spin degree of freedom. The Kondo resonance is a phenomenon that is caused by an interaction between an isolated spin and conduction electrons. First observed in the 1930s as an anomalous increase in the low-temperature resistance of metals embedded with magnetic atoms, the Kondo physics mainly studied the effects of bulk magnetic impurities in the resistivity. In the last 15 years it has undergone a revival by a scanning tunneling microscope (STM) which enables the measurement of the Kondo resonance at surfaces using an atomic scale point contact. The detection of the Kondo resonance can be a powerful tool to explore surface magnetism. In this article, I review recent studies of the surface spin of adsorbed molecules by the detection of the Kondo resonance. Researches on metal phthalocyanine (MPc) and porphyrin molecules will be examined. In addition, the Kondo resonance for double-decker lanthanoide Pc molecules will be discussed. Some of the double-decker Pc molecules show single-molecule magnet (SMM) behavior, which attracts attention as a material for electronic devices. For both classes, the ligand plays a crucial role in determining the parameters of the Kondo resonance, such as the Kondo temperature and the change of the shape from peak to Fano-dip. In addition, the spin in delocalized molecular orbital forms the Kondo resonance, which shows significant differences from the Kondo resonance formed by the metal spins. Since molecular orbital can be tuned in a flexible manner by the design of the molecule, the Kondo resonance formed by delocalized molecular orbital might expand the knowledge of this field.

  11. Magnetic resonance colonography versus colonoscopy as a diagnostic investigation for colorectal cancer: a meta-analysis

    International Nuclear Information System (INIS)

    Purkayastha, S.; Tekkis, P.P.; Athanasiou, T.; Aziz, O.; Negus, R.; Gedroyc, W.; Darzi, A.W.

    2005-01-01

    AIMS: Magnetic resonance colonography (MRC) is emerging as a potential complementary investigation for the diagnosis of colorectal cancer (CRC) and also for benign pathology such as diverticular disease. A meta-analysis reporting the use of MRC is yet to be performed. The aim of this study was to evaluate the diagnostic accuracy of MRC compared with the gold-standard investigation, conventional colonoscopy (CC). METHODS: A literature search was carried out to identify studies containing comparative data between MRC findings and CC findings. Quantitative meta-analysis for diagnostic tests was performed, which included the calculation of independent sensitivities, specificities, diagnostic odds ratios, the construction of summary receiver operating characteristic (SROC) curves, pooled analysis and sensitivity analysis. The study heterogeneity was evaluated by the Q-test using a random-effect model to accommodate the cluster of outcomes between individual studies. RESULTS: In all, 8 comparative studies were identified, involving 563 patients. The calculated pooled sensitivity for all lesions was 75% (95% CI: 47% to 91%), the specificity was 96% (95% CI: 86% to 98%) and the area under the ROC curve was 90% (weighted). On sensitivity analysis, MRC had a better diagnostic accuracy for CRC than for polyps, with a sensitivity of 91% (95% CI: 97% to 91%), a specificity of 98% (95% CI: 66% to 99%) and an area under the ROC curve of 92%. There was no significant heterogeneity between the studies with regard to the diagnostic accuracy of MRC for CRC. CONCLUSION: This meta-analysis suggests that MRC is an imaging technique with high discrimination for cases presenting with colorectal cancer. The exact diagnostic role of MRC needs to be clarified (e.g. suitable for an elderly person with suspected CRC). Further evaluation is necessary to refine its applicability and diagnostic accuracy in comparison with other imaging methods such as computed tomography colonography

  12. Disc pathology after whiplash injury. A prospective magnetic resonance imaging and clinical investigation

    International Nuclear Information System (INIS)

    Pettersson, K.; Hildingsson, C.; Toolanen, G.; Fagerlund, M.; Bjornebrink, J.

    1997-01-01

    Although disc pathology seems to be one contributing factor in the development of chronic symptoms after whiplash injury, it may be unnecessary to examine these patients in the acute phase with magnetic resonance imaging ; correlating initial symptoms and signs to magnetic resonance imaging findings is difficult because of the relatively high proportion of false-positive results. Magnetic resonance imaging is indicated later in the course of treatment in patients with persistent arm pain, neurologic deficits, or clinical signs of nerve root compression to diagnose disc herniations requiring surgery. (authors)

  13. Temperature dependence of the hydrated electron's excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models

    Science.gov (United States)

    Zho, Chen-Chen; Farr, Erik P.; Glover, William J.; Schwartz, Benjamin J.

    2017-08-01

    We use one-electron non-adiabatic mixed quantum/classical simulations to explore the temperature dependence of both the ground-state structure and the excited-state relaxation dynamics of the hydrated electron. We compare the results for both the traditional cavity picture and a more recent non-cavity model of the hydrated electron and make definite predictions for distinguishing between the different possible structural models in future experiments. We find that the traditional cavity model shows no temperature-dependent change in structure at constant density, leading to a predicted resonance Raman spectrum that is essentially temperature-independent. In contrast, the non-cavity model predicts a blue-shift in the hydrated electron's resonance Raman O-H stretch with increasing temperature. The lack of a temperature-dependent ground-state structural change of the cavity model also leads to a prediction of little change with temperature of both the excited-state lifetime and hot ground-state cooling time of the hydrated electron following photoexcitation. This is in sharp contrast to the predictions of the non-cavity model, where both the excited-state lifetime and hot ground-state cooling time are expected to decrease significantly with increasing temperature. These simulation-based predictions should be directly testable by the results of future time-resolved photoelectron spectroscopy experiments. Finally, the temperature-dependent differences in predicted excited-state lifetime and hot ground-state cooling time of the two models also lead to different predicted pump-probe transient absorption spectroscopy of the hydrated electron as a function of temperature. We perform such experiments and describe them in Paper II [E. P. Farr et al., J. Chem. Phys. 147, 074504 (2017)], and find changes in the excited-state lifetime and hot ground-state cooling time with temperature that match well with the predictions of the non-cavity model. In particular, the experiments

  14. Raman amplification in optical communication systems

    DEFF Research Database (Denmark)

    Kjær, Rasmus

    2008-01-01

    Fiber Raman amplifiers are investigated with the purpose of identifying new applications and limitations for their use in optical communication systems. Three main topics are investigated, namely: New applications of dispersion compensating Raman amplifiers, the use Raman amplification to increase...... fiberbaserede Raman-forstærkere med henblik på at identificere både deres begrænsninger og nye anvendelsesmuligheder i optiske kommunikationssystemer. En numerisk forstærkermodel er blevet udviklet for bedre at forstå forstærkerens dynamik, dens gain- og støjbegrænsninger. Modellen bruges til at forudsige...... forstærkerens statiske og dynamiske egenskaber, og det eftervises at dens resultater er i god overensstemmelse med eksperimentelle forstærkermålinger. Dispersions-kompenserende fiber er på grund af sin store udbredelse og fiberens høje Raman gain effektivitet et meget velegnet Raman gain-medium. Tre nye...

  15. Raman technique application for rubber blends characterization

    Directory of Open Access Journals (Sweden)

    Smitthipong, W.

    2007-11-01

    Full Text Available Raman spectroscopy has been employed in a number of studies to examine the morphological changes in a variety of materials. It is a non-destructive analysis method and an equally useful method for the investigation of material structure. Recently, Raman spectroscopy has been developed to employ as an imaging instrumentation. Sample surface scanning in X- and Y-axis and sample depth (Z-axis can be carried out by modifying the focus of the laser beam from the Raman microscope. Therefore, three-dimensional images can be thus built by using special software. The surface and bulk properties of immiscible rubber blend were investigated by Raman spectroscopy. The results obtained by Raman spectroscopy were in good agreement with those of Scanning Electron Microscope (SEM. The combination of Raman spectrometry and SEM clearly elucidates the identification of phases between the dispersed phase and the matrix (continuous phase of the immiscible rubber blends.

  16. Klimt artwork (Part II): material investigation by backscattering Fe-57 Mössbauer- and Raman- spectroscopy, SEM and p-XRF

    Energy Technology Data Exchange (ETDEWEB)

    Costa, B. F. O. [University of Coimbra, CFisUC, Physics Department (Portugal); Lehmann, R.; Wengerowsky, D. [Leibniz Universität Hannover, Institut für Anorganische Chemie (Germany); Blumers, M. [Joh. Gutenberg-Universität Mainz, Institut für Anorganische Chemie und Analytische Chemie (Germany); Sansano, A.; Rull, F. [Unidad Asociada UVA-CSIC Centro de Astrobiologia (Spain); Schmidt, H.-J. [Leibniz Universität Hannover, Institut für Anorganische Chemie (Germany); Dencker, F. [Hochschule Hannover, Fakultät II-Maschinenbau und Bioverfahrenstechnik (Germany); Niebur, A. [Technische Universität Dresden, Institut für Physikalische Chemie (Germany); Klingelhöfer, G. [Joh. Gutenberg-Universität Mainz, Institut für Anorganische Chemie und Analytische Chemie (Germany); Sindelar, R. [Hochschule Hannover, Fakultät II-Maschinenbau und Bioverfahrenstechnik (Germany); Renz, F., E-mail: renz@acd.uni-hannover.de [Leibniz Universität Hannover, Institut für Anorganische Chemie (Germany)

    2016-12-15

    In a rediscovered Klimt-artwork “Trompetender Putto” material tests have been conducted. We report studies on different points of the painting. The spots are of different colors, mainly taken in spots of the painting not restaurated. MIMOS II Fe-57 Mössbauer spectroscopy revealed mainly haematite and nano particle oxides in red and red/brown colors. Brown colors also contain crystallized goethite. In brown/ochre colors the same pigments as in brown colors are observed, but there is less quantity of goethite and more quantity of haematite. The green colors show Fe-rich clays, like celadonite or glauconite and or lepidocrocite as main component. Raman spectroscopy revealed cinnabar in red colors of the Scarf; and massicot in brown/ochre points, i.e. in the Left Wing of the “Putto”. With scanning electron microscopy, various layers of the original and of overpainting could be recognized. The investigations of sample 1 show three layers of colored materials, which were identified as zinc-white, cinnabar and galena as well as carbon compounds. In sample 2 four layers could be detected. These are identified (bottom to top) as gypsum and lead-white (layer 1), zinc-white (layer 2), lead-white and cinnabar (layer 3) and titanium-white (layer 4). The elementary composition was examined with the portable X-ray-fluorescence analysis for qualitative manner at different points.

  17. A combined Surface Enhanced Raman Spectroscopy (SERS)/UV-vis approach for the investigation of dye content in commercial felt tip pens inks.

    Science.gov (United States)

    Saviello, Daniela; Trabace, Maddalena; Alyami, Abeer; Mirabile, Antonio; Giorgi, Rodorico; Baglioni, Piero; Iacopino, Daniela

    2018-05-01

    The development of protocols for the protection of the large patrimony of works of art created by felt tip pen media since the 1950's requires detailed knowledge of the main dyes constituting commercial ink mixtures. In this work Surface Enhanced Raman Scattering (SERS) and UV-vis spectroscopy were used for the first time for the systematic identification of dye composition in commercial felt tip pens. A large selection of pens comprising six colors of five different brands was analyzed. Intense SERS spectra were obtained for all colors, allowing identification of main dye constituents. Poinceau 4R and Eosin dyes were found to be the main constituents of red and pink colors; Rhodamine and Tartrazine were found in orange and yellow colors; Erioglaucine was found in green and blue colors. UV-vis analysis of the same inks was used to support SERS findings but also to unequivocally assign some uncertain dye identifications, especially for yellow and orange colors. The spectral data of all felt tip pens collected through this work were assembled in a database format. The data obtained through this systematic investigation constitute the basis for the assembly of larger reference databases that ultimately will support the development of conservation protocols for the long term preservation of modern art collections. Copyright © 2018 Elsevier B.V. All rights reserved.

  18. Investigating the effect of moisture protection on solid-state stability and dissolution of fenofibrate and ketoconazole solid dispersions using PXRD, HSDSC and Raman microscopy.

    Science.gov (United States)

    Kanaujia, Parijat; Lau, Grace; Ng, Wai Kiong; Widjaja, Effendi; Schreyer, Martin; Hanefeld, Andrea; Fischbach, Matthias; Saal, Christoph; Maio, Mario; Tan, Reginald B H

    2011-09-01

    Enhanced dissolution of poorly soluble active pharmaceutical ingredients (APIs) in amorphous solid dispersions often diminishes during storage due to moisture-induced re-crystallization. This study aims to investigate the influence of moisture protection on solid-state stability and dissolution profiles of melt-extruded fenofibrate (FF) and ketoconazole (KC) solid dispersions. Samples were kept in open, closed and Activ-vials(®) to control the moisture uptake under accelerated conditions. During 13-week storage, changes in API crystallinity were quantified using powder X-ray diffraction (PXRD) (Rietveld analysis) and high sensitivity differential scanning calorimetry (HSDSC) and compared with any change in dissolution profiles. Trace crystallinity was observed by Raman microscopy, which otherwise was undetected by PXRD and HSDSC. Results showed that while moisture protection was ineffective in preventing the re-crystallization of amorphous FF, KC remained X-ray amorphous despite 5% moisture uptake. Regardless of the degree of crystallinity increase in FF, the enhanced dissolution properties were similarly diminished. Moisture uptake above 10% in KC samples also led to re-crystallization and significant decrease in dissolution rates. In conclusion, eliminating moisture sorption may not be sufficient in ensuring the stability of solid dispersions. Analytical quantification of API crystallinity is crucial in detecting subtle increase in crystallinity that can diminish the enhanced dissolution properties of solid dispersions.

  19. Molecular vibrational investigation [FT-IR, FT-Raman, UV-Visible and NMR] on Bis(thiourea) Nickel chloride using HF and DFT calculations

    Science.gov (United States)

    Anand, S.; Sundararajan, R. S.; Ramachandraraja, C.; Ramalingam, S.; Durga, R.

    2015-03-01

    In the present research work, the FT-IR, FT-Raman spectra of the Bis(thiourea) Nickel chloride (BTNC) were recorded and analyzed. The observed fundamental frequencies in finger print and functional group regions were assigned according to their uniqueness region. The computational calculations were carried out by HF and DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The present organo-metallic compound was made up of covalent and coordination covalent bonds. The modified vibrational pattern of the complex molecule associated with ligand group was analyzed. Furthermore, the 13C NMR and 1H NMR spectral data were calculated by using the gauge independent atomic orbital (GIAO) method with B3LYP/6-311++G(d,p) basis set and their spectra were simulated and the chemical shifts linked to TMS were compared. A investigation on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies were carried out. The kubo gap of the present compound was calculated related to HOMO and LUMO energies which confirm the occurring of charge transformation between the base and ligand. Besides frontier molecular orbitals (FMO), molecular electrostatic potential (MEP) was performed. The NLO properties related to Polarizability and hyperpolarizability based on the finite-field approach were also discussed.

  20. Molecular vibrational investigation [FT-IR, FT-Raman, UV-Visible and NMR] on Bis(thiourea) Nickel chloride using HF and DFT calculations.

    Science.gov (United States)

    Anand, S; Sundararajan, R S; Ramachandraraja, C; Ramalingam, S; Durga, R

    2015-03-05

    In the present research work, the FT-IR, FT-Raman spectra of the Bis(thiourea) Nickel chloride (BTNC) were recorded and analyzed. The observed fundamental frequencies in finger print and functional group regions were assigned according to their uniqueness region. The computational calculations were carried out by HF and DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The present organo-metallic compound was made up of covalent and coordination covalent bonds. The modified vibrational pattern of the complex molecule associated with ligand group was analyzed. Furthermore, the (13)C NMR and (1)H NMR spectral data were calculated by using the gauge independent atomic orbital (GIAO) method with B3LYP/6-311++G(d,p) basis set and their spectra were simulated and the chemical shifts linked to TMS were compared. A investigation on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies were carried out. The kubo gap of the present compound was calculated related to HOMO and LUMO energies which confirm the occurring of charge transformation between the base and ligand. Besides frontier molecular orbitals (FMO), molecular electrostatic potential (MEP) was performed. The NLO properties related to Polarizability and hyperpolarizability based on the finite-field approach were also discussed. Crown Copyright © 2014. Published by Elsevier B.V. All rights reserved.