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Sample records for vibrational raman optical

  1. Vibrational analysis of various irotopes of L-alanyl-L-alanine in aqueous solution: Vibrational Absorption (VA), Vibrational Circular Dichroism (VCD), Raman and Raman Optical Activity (ROA) Spectra

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Nieminen, R.M.; Knapp-Mohammady, M.

    2003-01-01

    been reported. Subsequently, the vibrational absorption (VA) and vibrational circular dichroism (VCD) and the Raman and Raman Optical Activity (ROA) spectra have been reported. In this work an analysis of the aqueous solution VA, VCD, Raman, and ROA spectra for various isotopomers of LALA are reported...... with the experimentally measured spectra. With the DFT, explicit water molecules, and a continuum solvent model we are better able to reproduce the vibrational absorption and Raman spectra than previously reported. The AAT have been implemented at the DFT level, although not within the continuum treatment. The VCD sign...

  2. Structure and behaviour of proteins, nucleic acids and viruses from vibrational Raman optical activity

    DEFF Research Database (Denmark)

    Barron, L.D.; Blanch, E.W.; McColl, I.H.

    2003-01-01

    On account of its sensitivity to chirality Raman optical activity (ROA), which may be measured as a small difference in vibrational Raman scattering from chiral molecules in right- and left-circularly polarized incident light, is a powerful probe of structure and behaviour of biomolecules in aque...

  3. A study of aliphatic amino acids using simulated vibrational circular dichroism and Raman optical activity spectra

    CERN Document Server

    Ganesan, Aravindhan; Wang, Feng

    2013-01-01

    Vibrational optical activity (VOA) spectra, such as vibrational circular dichroism (VCD) and Raman optical activity (ROA) spectra, of aliphatic amino acids are simulated using density functional theory (DFT) methods in both gas phase (neutral form) and solution (zwitterionic form), together with their respective infrared (IR) and Raman spectra of the amino acids. The DFT models, which are validated by excellent agreements with the available experimental Raman and ROA spectra of alanine in solution, are employed to study other aliphatic amino acids. The inferred (IR) intensive region (below 2000 cm-1) reveals the signature of alkyl side chains, whereas the Raman intensive region (above 3000 cm-1) contains the information of the functional groups in the amino acids. Furthermore, the chiral carbons of the amino acids (except for glycine) dominate the VCD and ROA spectra in the gas phase, but the methyl group vibrations produce stronger VCD and ROA signals in solution. The C-H related asymmetric vibrations domina...

  4. Origin invariance in vibrational resonance Raman optical activity.

    Science.gov (United States)

    Vidal, Luciano N; Egidi, Franco; Barone, Vincenzo; Cappelli, Chiara

    2015-05-07

    A theoretical investigation on the origin dependence of the vibronic polarizabilities, isotropic and anisotropic rotational invariants, and scattering cross sections in Resonance Raman Optical Activity (RROA) spectroscopy is presented. Expressions showing the origin dependence of these polarizabilities were written in the resonance regime using the Franck-Condon (FC) and Herzberg-Teller (HT) approximations for the electronic transition moments. Differently from the far-from-resonance scattering regime, where the origin dependent terms cancel out when the rotational invariants are calculated, RROA spectrum can exhibit some origin dependence even for eigenfunctions of the electronic Hamiltonian. At the FC level, the RROA spectrum is completely origin invariant if the polarizabilities are calculated using a single excited state or for a set of degenerate states. Otherwise, some origin effects can be observed in the spectrum. At the HT level, RROA spectrum is origin dependent even when the polarizabilities are evaluated from a single excited state but the origin effect is expected to be small in this case. Numerical calculations performed for (S)-methyloxirane, (2R,3R)-dimethyloxirane, and (R)-4-F-2-azetidinone at both FC and HT levels using the velocity representation of the electric dipole and quadrupole transition moments confirm the predictions of the theory and show the extent of origin effects and the effectiveness of suggested ways to remove them.

  5. VIBRATIONAL RAMAN OPTICAL-ACTIVITY CALCULATIONS USING LONDON ATOMIC ORBITALS

    DEFF Research Database (Denmark)

    Helgaker, T.; Ruud, K.; Bak, Keld L.

    1994-01-01

    Ab initio calculations of Raman differential intensities are presented at the self-consistent field (SCF) level of theory. The electric dipole-electric dipole, electric dipole-magnetic dipole and electric dipole-electric quadrupole polarizability tensors are calculated at the frequency of the inc...... of the incident light, using SCF linear response theory. London atomic orbitals are employed, imposing gauge origin invariance on the calculations. Calculations have been carried out in the harmonic approximation for CFHDT and methyloxirane.......Ab initio calculations of Raman differential intensities are presented at the self-consistent field (SCF) level of theory. The electric dipole-electric dipole, electric dipole-magnetic dipole and electric dipole-electric quadrupole polarizability tensors are calculated at the frequency...

  6. To Avoid Chasing Incorrect Chemical Structures of Chiral Compounds: Raman Optical Activity and Vibrational Circular Dichroism Spectroscopies.

    Science.gov (United States)

    Polavarapu, Prasad L; Covington, Cody L; Raghavan, Vijay

    2017-09-20

    A chemical structure (CS) identifies the connectivities between atoms, and the nature of those connections, for a given elemental composition. For chiral molecules, in addition to the identification of CS, the identification of the correct absolute configuration (AC) is also needed. Several chiral natural products are known whose CSs were initially misidentified and later corrected, and these errors were often discovered during the total synthesis of natural products. In this work, we present a new and convenient approach that can be used with Raman optical activity (ROA) and vibrational circular dichroism (VCD) spectroscopies, to distinguish between the correct and incorrect CSs of chiral compounds. This approach involves analyzing the spectral similarity overlap between experimental spectra and those predicted with advanced quantum chemical theories. Significant labor needed for establishing the correct CSs via chemical syntheses of chiral natural products can thus be avoided. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Vibrational Raman and optical studies of Cm in zirconia-based pyrochlores and related oxide matrices

    Energy Technology Data Exchange (ETDEWEB)

    Assefa, Z.; Haire, R.G. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Raison, P.E. [CEA-DRN/DEC/SPUA/LACA, Commissariat a l' Energie Atomique, Cadarache (France)

    2002-11-01

    Raman spectroscopy has been employed to follow the phase behavior of Cm-Zr oxide materials as a function of Cm:Zr ratio. Three different structural phases, monoclinic, cubic and pyrochlore, are formed when the Cm:Zr ratio is varied from > 0 to 1. Each phase produces a distinct Raman profile in the 100-700 cm{sup -1} spectral region. Up to 10 atom % Cm, the Raman spectra indicate that the monoclinic structure is dominant. Raman bands corresponding to the monoclinic phase are absent in samples containing 20-40 atom % Cm. Concomitantly, a band at {approx}600 cm{sup -1} broadens and increases in intensity with increasing curium content, indicating that the cubic phase is dominant in this concentration range. The pyrochlore oxide structure, which forms at 50 atom % Cm, generates three Raman bands (the center of mass are at 283, 387, 495 cm{sup -1}) out of six bands predicted by nuclear site group analyses. The strongest of these is at 283 cm{sup -1}, and corresponds to the O-Cm-O bending mode. Details of these studies will be compared and discussed with data obtained for comparable systems containing selected analogous 4f-elements. (author)

  8. A new perspective on beta-sheet structures using vibrational Raman optical activity: From poly(L-lysine) to the prion protein

    DEFF Research Database (Denmark)

    McColl, L.H.; Blanch, E.W.; Gill, A.C.

    2003-01-01

    The vibrational Raman optical activity (ROA) spectrum of a polypeptide in a model beta-sheet conformation, that of poly(L-lysine), was measured for the first time, and the alpha-helix --> beta-sheet transition monitored as a function of temperature in H2O and D2O. Although no significant population...... in beta-sheet shows amide I and amide II ROA bands similar to those of beta-sheet poly(L-lysine), which suggests that the C-terminal domain of the prion protein is able to support unusually flat beta-sheets. A principal component analysis (PCA) that identifies protein structural types from ROA band...

  9. Raman Optical Activity of Biological Molecules

    Science.gov (United States)

    Blanch, Ewan W.; Barron, Laurence D.

    Now an incisive probe of biomolecular structure, Raman optical activity (ROA) measures a small difference in Raman scattering from chiral molecules in right- and left-circularly polarized light. As ROA spectra measure vibrational optical activity, they contain highly informative band structures sensitive to the secondary and tertiary structures of proteins, nucleic acids, viruses and carbohydrates as well as the absolute configurations of small molecules. In this review we present a survey of recent studies on biomolecular structure and dynamics using ROA and also a discussion of future applications of this powerful new technique in biomedical research.

  10. A new perspective on beta-sheet structures using vibrational Raman optical activity: From poly(L-lysine) to the prion protein

    DEFF Research Database (Denmark)

    McColl, L.H.; Blanch, E.W.; Gill, A.C.

    2003-01-01

    The vibrational Raman optical activity (ROA) spectrum of a polypeptide in a model beta-sheet conformation, that of poly(L-lysine), was measured for the first time, and the alpha-helix --> beta-sheet transition monitored as a function of temperature in H2O and D2O. Although no significant population......-sheet poly(L-lysine) contains up-and-down antiparallel beta-sheets based on the hairpin motif. The ROA spectrum of beta-sheet poly(L-lysine) was compared with ROA data on a number of native proteins containing different types of beta-sheet. Amide I and amide II ROA band patterns observed in beta-sheet poly...... in beta-sheet shows amide I and amide II ROA bands similar to those of beta-sheet poly(L-lysine), which suggests that the C-terminal domain of the prion protein is able to support unusually flat beta-sheets. A principal component analysis (PCA) that identifies protein structural types from ROA band...

  11. Raman Optical Activity and Raman Spectra of Amphetamine Species

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Shim, Irene; White, Peter Cyril

    2012-01-01

    Theoretical calculations and preliminary measurements of vibrational Raman optical activity (ROA) spectra of different species of amphetamine (amphetamine and amphetamine-H+) are reported for the first time. The quantum chemical calculations were carried out as hybrid ab initio DFT......-molecular orbital calculations by use of the Gaussian 03W pro- gram, based on complete geometry minimizations of the conformational energy of the S-(+)-amphetamine molecule, the S-(+)-amphetamine-H+ ion, and the R-(–)-amphetamine molecule. Following this, harmonic frequency calculations have been made, providing...... are employed for identification purposes. The DFT calculations show that the most stable conformations are those allowing for close contact between the aromatic ring and the amine hydrogen atoms. The internal rotational barrier within the same amphetamine enanti- omer has a considerable influence on the Raman...

  12. Vibration-free Raman Doppler velocimeter

    Science.gov (United States)

    Exton, R. J.

    1986-11-01

    A method and apparatus unaffected by vibrational environments for obtaining measurements using Raman Doppler Velocimetry is described. Two laser beams, a pump beam, and a probe beam, are focused by a lens to a point in a flow. A lens collimates the two beams. A beam splitter dumps the beam and the other beam is reflected by a corner cube back to the lens. The other lens then focuses the beam back to the point. The reflected beam and the backward and forward scattering at the point are detected by a detector and processed by a boxcar averager. The lens and corner cube combination, called a retrometer, ensure that the measurements are unaffected by vibrations.

  13. Dental caries detection by optical spectroscopy: a polarized Raman approach with fibre-optic coupling

    Science.gov (United States)

    Ko, A. C.-T.; Choo-Smith, L.-P.; Werner, J.; Hewko, M.; Sowa, M. G.; Dong, C.; Cleghorn, B.

    2006-09-01

    Incipient dental caries lesions appear as white spots on the tooth surface; however, accurate detection of early approximal lesions is difficult due to limited sensitivity of dental radiography and other traditional diagnostic tools. A new fibre-optic coupled spectroscopic method based on polarized Raman spectroscopy (P-RS) with near-IR laser excitation is introduced which provides contrast for detecting and characterizing incipient caries. Changes in polarized Raman spectra are observed in PO 4 3- vibrations arising from hydroxyapatite of mineralized tooth tissue. Demineralization-induced morphological/orientational alteration of enamel crystallites is believed to be responsible for the reduction of Raman polarization anisotropy observed in the polarized Raman spectra of caries lesions. Supporting evidence obtained by polarized Raman spectral imaging is presented. A specially designed fibre-optic coupled setup for simultaneous measurement of parallel- and cross-polarized tooth Raman spectra is demonstrated in this study.

  14. Energetics, structures, vibrational frequencies, vibrational absorption, vibrational circular dichroism and Raman intensities of Leu-enkephalin

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.

    2003-01-01

    Here we present several low energy conformers of Leu-enkephalin (LeuE) calculated with the density functional theory using the Becke 3LYP hybrid functional and the 6-31G* basis set. The structures, conformational energies, vibrational frequencies, vibrational absorption (VA) intensities......, vibrational circular dichroism (VCD) intensities and Raman scattering intensities are reported for the conformers of LeuE which are expected to be populated at room temperature. The species of LeuE-present in non-polar solvents is the neutral non-ionic species with the NH2 and CO2H groups, in contrast...... to the zwitterionic neutral species with the NH3+ and CO2- groups which predominates in aqueous solution and in the crystal. All of our attempts to find the zwitterionic species in the isolated state failed, with the result that a hydrogen atom from the positively charged N-terminus ammonium group transferred either...

  15. Molecular vibrations the theory of infrared and Raman vibrational spectra

    CERN Document Server

    Wilson, E Bright; Cross, Paul C

    1980-01-01

    Pedagogical classic and essential reference focuses on mathematics of detailed vibrational analyses of polyatomic molecules, advancing from application of wave mechanics to potential functions and methods of solving secular determinant.

  16. Optically active vibrational modes of PPV derivatives on textile substrate

    Energy Technology Data Exchange (ETDEWEB)

    Silva, M.A.T. da, E-mail: seaquinhos@uel.br [Departamento de Fisica, Universidade Estadual de Londrina-UEL, PR 445 Km 380, CP6001, CEP 86051-970 Londrina, Parana (Brazil); Dias, I.F.L. [Departamento de Fisica, Universidade Estadual de Londrina-UEL, PR 445 Km 380, CP6001, CEP 86051-970 Londrina, Parana (Brazil); Santos, E.P. dos; Martins, A.A. [Departamento de Fisica, Universidade Vale do Paraiba-UNIVAP, Avenida Shishima Hifumi, 2911, CEP 12244-000 Sao Jose dos Campos, Sao Paulo (Brazil); Duarte, J.L.; Laureto, E.; Reis, G.A. dos [Departamento de Fisica, Universidade Estadual de Londrina-UEL, PR 445 Km 380, CP6001, CEP 86051-970 Londrina, Parana (Brazil); Guimaraes, P.S.S.; Cury, L.A. [Departamento de Fisica, Instituto de Ciencias Exatas, Universidade Federal de Minas Gerais, C.P. 702, Belo Horizonte, CEP 30123-970 Minas Gerais (Brazil)

    2013-02-15

    In this work, MEH-PPV and BDMO-PPV films were deposited by spin-coating on 'dirty' textile substrates of canvas, nylon, canvas with resin, jeans and on glass and the temperature dependence of the optical properties of them was studied by photoluminescence and Raman (300 K) techniques. The temperature dependence of the energy, of the half line width at half height of the purely electronic peak, of the integrated PL intensity and of the Huang-Rhys factor, S=I{sub (01)}/I{sub (00)}, were obtained directly from the PL spectrum. For an analysis of the vibrational modes involved, Raman measurements were performed on substrates with and without polymers deposited and the results compared with those found in the literature. The films of MEH-PPV and BDMO-PPV showed optical properties similar to those films deposited on other substrates such as glass, metals, etc. It was observed an inversion of the first vibrational band in relation to the purely electronic peak with increasing temperature in the films deposited on nylon and canvas. The vibrational modes obtained by Raman were used to compose the simulation of the PL line shape of BDMO-PPV films on canvas and nylon, using a model proposed by Lin [29]. - Highlights: Black-Right-Pointing-Pointer MEH-PPV and BDMO-PPV films were deposited by spin-coating on dirty textile. Black-Right-Pointing-Pointer Their properties were studied by photoluminescence and Raman techniques. Black-Right-Pointing-Pointer We observed inversion of first vibrational band in relation to purely electronic peak. Black-Right-Pointing-Pointer Optically active vibrational modes of PPV derivatives were studied.

  17. Terahertz mechanical vibrations in lysozyme: Raman spectroscopy vs modal analysis

    Science.gov (United States)

    Carpinteri, Alberto; Lacidogna, Giuseppe; Piana, Gianfranco; Bassani, Andrea

    2017-07-01

    The mechanical behaviour of proteins is receiving an increasing attention from the scientific community. Recently it has been suggested that mechanical vibrations play a crucial role in controlling structural configuration changes (folding) which govern proteins biological function. The mechanism behind protein folding is still not completely understood, and many efforts are being made to investigate this phenomenon. Complex molecular dynamics simulations and sophisticated experimental measurements are conducted to investigate protein dynamics and to perform protein structure predictions; however, these are two related, although quite distinct, approaches. Here we investigate mechanical vibrations of lysozyme by Raman spectroscopy and linear normal mode calculations (modal analysis). The input mechanical parameters to the numerical computations are taken from the literature. We first give an estimate of the order of magnitude of protein vibration frequencies by considering both classical wave mechanics and structural dynamics formulas. Afterwards, we perform modal analyses of some relevant chemical groups and of the full lysozyme protein. The numerical results are compared to experimental data, obtained from both in-house and literature Raman measurements. In particular, the attention is focused on a large peak at 0.84 THz (29.3 cm-1) in the Raman spectrum obtained analyzing a lyophilized powder sample.

  18. Study of optical phonon modes of CdS nanoparticles using Raman ...

    Indian Academy of Sciences (India)

    In the case of nanostructured materials, confinement of optical phonons can produce noticeable changes in their vibrational spectra compared to those of bulk crystals. In this paper we report the study of optical phonon modes of nanoparticles of CdS using Raman spectroscopy. Nanoparticle sample for the present study ...

  19. Molecular structures of viruses from Raman optical activity

    DEFF Research Database (Denmark)

    Blanch, Ewan W.; Hecht, Lutz; Syme, Christopher D.

    2002-01-01

    A vibrational Raman optical activity (ROA) study of a range of different structural types of virus exemplified by filamentous bacteriophage fd, tobacco mosaic virus, satellite tobacco mosaic virus, bacteriophage MS2 and cowpea mosaic virus has revealed that, on account of its sensitivity to chira......A vibrational Raman optical activity (ROA) study of a range of different structural types of virus exemplified by filamentous bacteriophage fd, tobacco mosaic virus, satellite tobacco mosaic virus, bacteriophage MS2 and cowpea mosaic virus has revealed that, on account of its sensitivity...... (top component) of cowpea mosaic virus from those of the intact middle and bottom-upper components separated by means of a caesium chloride density gradient, the ROA spectrum of the viral RNA was obtained, which revealed that the RNA takes up an A-type single-stranded helical conformation...... and that the RNA conformations in the middle and bottom-upper components are very similar. This information is not available from the X-ray crystal structure of cowpea mosaic virus since no nucleic acid is visible....

  20. Communication: atomic force detection of single-molecule nonlinear optical vibrational spectroscopy.

    Science.gov (United States)

    Saurabh, Prasoon; Mukamel, Shaul

    2014-04-28

    Atomic Force Microscopy (AFM) allows for a highly sensitive detection of spectroscopic signals. This has been first demonstrated for NMR of a single molecule and recently extended to stimulated Raman in the optical regime. We theoretically investigate the use of optical forces to detect time and frequency domain nonlinear optical signals. We show that, with proper phase matching, the AFM-detected signals closely resemble coherent heterodyne-detected signals. Applications are made to AFM-detected and heterodyne-detected vibrational resonances in Coherent Anti-Stokes Raman Spectroscopy (χ((3))) and sum or difference frequency generation (χ((2))).

  1. Polymer-capped fiber-optic Raman probe for non-invasive Raman spectroscopy

    OpenAIRE

    Okagbare, Paul I.; Morris, Michael D.

    2011-01-01

    Advances in fiber optic probe design are moving Raman spectroscopy into the clinic, although there remain important practical problems. While much effort has been devoted to minimizing Raman and fluorescence background from fibers, less attention has been given to the need to generate reference Raman signals that can correct for variations in tissue albedo, which is important in quantifying changes in tissue composition. To address this shortcoming, we have developed a fiber optic probe that ...

  2. Quantum Theory of Conditional Phonon States in a Dual-Pumped Raman Optical Frequency Comb

    Science.gov (United States)

    Mondloch, Erin

    In this work, we theoretically and numerically investigate nonclassical phonon states created in the collective vibration of a Raman medium by the generation of a dual-pumped Raman optical frequency comb in an optical cavity. This frequency comb is generated by cascaded Raman scattering driven by two phase-locked pump lasers that are separated in frequency by three times the Raman phonon frequency. We characterize the variety of conditioned phonon states that are created when the number of photons in all optical frequency modes except the pump modes are measured. Almost all of these conditioned phonon states are extremely well approximated as three-phonon-squeezed states or Schrodinger-cat states, depending on the outcomes of the photon number measurements. We show how the combinations of first-, second-, and third-order Raman scattering that correspond to each set of measured photon numbers determine the fidelity of the conditioned phonon state with model three-phonon-squeezed states and Schrodinger-cat states. All of the conditioned phonon states demonstrate preferential growth of the phonon mode along three directions in phase space. That is, there are three preferred phase values that the phonon state takes on as a result of Raman scattering. We show that the combination of Raman processes that produces a given set of measured photon numbers always produces phonons in multiples of three. In the quantum number-state representation, these multiples of three are responsible for the threefold phase-space symmetry seen in the conditioned phonon states. With a semiclassical model, we show how this three-phase preference can also be understood in light of phase correlations that are known to spontaneously arise in single-pumped Raman frequency combs. Additionally, our semiclassical model predicts that the optical modes also grow preferentially along three phases, suggesting that the dual-pumped Raman optical frequency comb is partially phase-stabilized.

  3. FT-IR and Raman vibrational microspectroscopies used for spectral biodiagnosis of human tissues

    OpenAIRE

    Lin, Shan-Yang; Li, Mei-Jane; Cheng, Wen-Ting

    2007-01-01

    Fourier transform infrared (FT-IR) and Raman vibrational microspectroscopies used for biomedical diagnosis of human tissues are reviewed from basic principle to biological applications. The advantages and disadvantages of both vibrational microspectroscopies are compared to highlight their efficiency and adaptability for noninvasively investigating the chemical compositions of ultrastructual human tissues at different disease states. Biochemical fingerprints applied to the biological samples ...

  4. Solution structures of potato virus X and narcissus mosaic virus from Raman optical activity

    DEFF Research Database (Denmark)

    Blanch, Ewan W.; Robinson, David J.; Hecht, Lutz

    2002-01-01

    Potato virus X (PVX) and narcissus mosaic virus (NMV) were studied using vibrational Raman optical activity (ROA) in order to obtain new information on the structures of their coat protein subunits. The ROA spectra of the two intact virions are very similar to each other and similar to that of to......Potato virus X (PVX) and narcissus mosaic virus (NMV) were studied using vibrational Raman optical activity (ROA) in order to obtain new information on the structures of their coat protein subunits. The ROA spectra of the two intact virions are very similar to each other and similar......, suggesting that TMV contains less hydrated alpha-helix. Small differences in other spectral regions reflect differences in some loop, turn and side-chain compositions and conformations among the three viruses. A pattern recognition program based on principal component analysis of ROA spectra indicates...

  5. Vibrational Properties of a Monolayer Silicene Sheet Studied by Tip-Enhanced Raman Spectroscopy

    Science.gov (United States)

    Sheng, Shaoxiang; Wu, Jiang-bin; Cong, Xin; Li, Wenbin; Gou, Jian; Zhong, Qing; Cheng, Peng; Tan, Ping-heng; Chen, Lan; Wu, Kehui

    2017-11-01

    Combining ultrahigh sensitivity, spatial resolution, and the capability to resolve chemical information, tip-enhanced Raman spectroscopy (TERS) is a powerful tool to study molecules or nanoscale objects. Here we show that TERS can also be a powerful tool in studying two-dimensional materials. We have achieved a 109 Raman signal enhancement and a 0.5 nm spatial resolution using monolayer silicene on Ag(111) as a prototypical 2D material system. Because of the selective enhancement on Raman modes with vertical vibrational components in TERS, our experiment provides direct evidence of the origination of Raman modes in silicene. Furthermore, the ultrahigh sensitivity of TERS allows us to identify different vibrational properties of silicene phases, which differ only in the bucking direction of the Si-Si bonds. Local vibrational features from defects and domain boundaries in silicene can also be identified.

  6. Compositional dependencies in the vibrational properties of amorphous Ge-As-Se and Ge-Sb-Te chalcogenide alloys studied by Raman spectroscopy

    Science.gov (United States)

    Shportko, K.; Revutska, L.; Paiuk, O.; Baran, J.; Stronski, A.; Gubanova, A.; Venger, E.

    2017-11-01

    This work is focused on the compositional dependencies in the Raman spectra of amorphous Ge-As-Se and Ge-Sb-Te chalcogenides with the systematic increase of the Ge-content. Studied Ge-As-Se and Ge-Sb-Te chalcogenides are promising for applications in the photonics, optical, and electronic data storages. Gaussians used to fit the obtained Raman spectra were attributed to the vibrations of the structural units in Ge-Sb-Te and Ge-As-Se samples. Systematic compositional dependencies of the intensities of the characteristic Raman bands correlate with evolution of concentration of the different structural units in Ge-Sb-Te and Ge-As-Se alloys along the studied compositional lines. Obtained compositional trends in the intensities of Raman bands may enable one to predict vibrational properties of other amorphous Ge-Sb-Te and Ge-As-Se chalcogenides.

  7. Optical Measurement of Cable and String Vibration

    Directory of Open Access Journals (Sweden)

    Y. Achkire

    1998-01-01

    Full Text Available This paper describes a non contacting measurement technique for the transverse vibration of small cables and strings using an analog position sensing detector. On the one hand, the sensor is used to monitor the cable vibrations of a small scale mock-up of a cable structure in order to validate the nonlinear cable dynamics model. On the other hand, the optical sensor is used to evaluate the performance of an active tendon control algorithm with guaranteed stability properties. It is demonstrated experimentally, that a force feedback control law based on a collocated force sensor measuring the tension in the cable is feasible and provides active damping in the cable.

  8. On the impact of Vibrational Raman Scattering of N2/O2 on MAX-DOAS Measurements of atmospheric trace gases

    Science.gov (United States)

    Lampel, Johannes; Zielcke, Johannes; Frieß, Udo; Platt, Ulrich; Wagner, Thomas

    2015-04-01

    In remote sensing applications, such as the applications of differential optical absorption spectroscopy (DOAS), atmospheric scattering processes need to be considered since they can modify the observed spectra. Inelastic scattering of photons by N2 and O2 molecules can be observed as additional intensity, effectively leading to filling-in of both, solar Fraunhofer lines and absorption bands of atmospheric constituents. The main contribution is due to rotational Raman scattering, which can lead to changes in observed optical densities of absorption lines up to several percent. Measured optical densities are typically corrected for this effect (also known as Ring Effect). In contrast to that Vibrational Raman scattering of N2 and O2 was often thought to be negligible, but also contributes to this effect. We present calculations of Vibrational Raman cross-sections for O2 and N2 for the application in passive DOAS measurements. Consequences of vibrational Raman scattering are red-shifted Fraunhofer structures, so called 'Fraunhofer Ghost' lines (FGL), in scattered light spectra and filling-in of Fraunhofer lines, additional to rotational Raman scattering. We also present first unequivocal observations of FGL at optical densities of up to several 104. From our measurements and calculations of the optical density of these FGL, we conclude, that this phenomenon has to be included in the spectral evaluation of weak absorbers. Its relevance is demonstrated in spectral evaluations of Multi-Axis (MAX)-DOAS data and an agreement with calculated scattering cross-sections is found. To exclude cross-sensitivities with other absorbers, such as water vapour, MAX-DOAS data from different latitudes and different instruments were analysed. We evaluate the influence of the additional intensities due to vibrational Raman scattering on the spectral retrieval of IO, Glyoxal, H2O and NO2 in the blue wavelength range. In the case of NO2 the column densities derived from certain wavelength

  9. Higher order mode optical fiber Raman amplifiers

    DEFF Research Database (Denmark)

    Rottwitt, Karsten; Friis, Søren Michael Mørk; Usuga Castaneda, Mario A.

    2016-01-01

    We review higher order mode Raman amplifiers and discuss recent theoretical as well as experimental results including system demonstrations.......We review higher order mode Raman amplifiers and discuss recent theoretical as well as experimental results including system demonstrations....

  10. Pure electrical, highly-efficient and sidelobe free coherent Raman spectroscopy using acousto-optics tunable filter (AOTF).

    Science.gov (United States)

    Meng, Zhaokai; Petrov, Georgi I; Yakovlev, Vladislav V

    2016-02-01

    Fast and sensitive Raman spectroscopy measurements are imperative for a large number of applications in biomedical imaging, remote sensing and material characterization. Stimulated Raman spectroscopy offers a substantial improvement in the signal-to-noise ratio but is often limited to a discrete number of wavelengths. In this report, by introducing an electronically-tunable acousto-optical filter as a wavelength selector, a novel approach to a broadband stimulated Raman spectroscopy is demonstrated. The corresponding Raman shift covers the spectral range from 600 cm(-1) to 4500 cm(-1), sufficient for probing most vibrational Raman transitions. We validated the use of the new instrumentation to both coherent anti-Stokes scattering (CARS) and stimulated Raman scattering (SRS) spectroscopies.

  11. Vibrational properties of epitaxial Bi4Te3 films as studied by Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Hao Xu

    2015-08-01

    Full Text Available Bi4Te3, as one of the phases of the binary Bi–Te system, shares many similarities with Bi2Te3, which is known as a topological insulator and thermoelectric material. We report the micro-Raman spectroscopy study of 50 nm Bi4Te3 films on Si substrates prepared by molecular beam epitaxy. Raman spectra of Bi4Te3 films completely resolve the six predicted Raman-active phonon modes for the first time. Structural features and Raman tensors of Bi4Te3 films are introduced. According to the wavenumbers and assignments of the six eigenpeaks in the Raman spectra of Bi4Te3 films, it is found that the Raman-active phonon oscillations in Bi4Te3 films exhibit the vibrational properties of those in both Bi and Bi2Te3 films.

  12. A study of the eigenvectors of the vibrational modes in crystalline cytidine via high-pressure Raman spectroscopy.

    Science.gov (United States)

    Lee, Scott A; Pinnick, David A; Anderson, A

    2015-01-01

    Raman spectroscopy has been used to study the eigenvectors and eigenvalues of the vibrational modes of crystalline cytidine at 295 K and high pressures by evaluating the logarithmic derivative of the vibrational frequency ω with respect to pressure P: [Formula: see text]. Crystalline samples of molecular materials have strong intramolecular bonds and weak intermolecular bonds. This hierarchy of bonding strengths causes the vibrational optical modes localized within a molecular unit ("internal" modes) to be relatively high in frequency while the modes in which the molecular units vibrate against each other ("external" modes) have relatively low frequencies. The value of the logarithmic derivative is a useful diagnostic probe of the nature of the eigenvector of the vibrational modes because stretching modes (which are predominantly internal to the molecule) have low logarithmic derivatives while external modes have higher logarithmic derivatives. In crystalline cytidine, the modes at 85.8, 101.4, and 110.6 cm(-1) are external in which the molecules of the unit cell vibrate against each other in either translational or librational motions (or some linear combination thereof). All of the modes above 320 cm(-1) are predominantly internal stretching modes. The remaining modes below 320 cm(-1) include external modes and internal modes, mostly involving either torsional or bending motions of groups of atoms within a molecule.

  13. Raman amplification in optical communication systems

    DEFF Research Database (Denmark)

    Kjær, Rasmus

    2008-01-01

    the length of future access networks, and inter-channel transient crosstalk and a new all-optical method to remedy these unwanted effects. Finally, a numerical amplifier model is developed to better understand the dynamics, gain and noise limitations of the amplifier. I denne afhandling undersøges...... støjtal under 4,5 dB og en samlet udgangseffekt på 22 dBm. Med henblik på at forlænge rækkevidden af fremtidige access-netværk foreslås en ny arkitektur for såkaldte langdistance passive optiske netværk (PON). Dette system evalueres både teoretisk og eksperimentelt. Distribueret Raman-forstærkning bruges...... modtagerfølsomheden p.g.a. den bidirektionelle trafik. De dynamiske egenskaber af PON-forbindelsen testes med forstyrrende trafik og som konklusion vurderes systemet at være en lovende kandidat til fremtidige langdistance access PONs med dynamisk trafik. Krydstale mellem to eller flere kanaler i mættede...

  14. FT-IR, RAMAN AND DFT STUDIES ON THE VIBRATIONAL ...

    African Journals Online (AJOL)

    aminoethoxy)propane (baep) were examined both experimentally and theoretically including FT-IR and Raman spectroscopic methods. Among the possible structural configurations, 30 of them were handled in the framework of this study.

  15. Stark-induced adiabatic Raman ladder for preparing highly vibrationally excited quantum states of molecular hydrogen

    Science.gov (United States)

    Mukherjee, Nandini; Perreault, William E.; Zare, Richard N.

    2017-07-01

    We present a multi-color ladder excitation scheme that exploits Stark-induced adiabatic Raman passage to selectively populate a highly excited vibrational level of a molecule. We suggest that this multi-color coherent ladder excitation provides a practical way of accessing levels near the vibrational dissociation limit as well as the dissociative continuum, which would allow the generation of an entangled pair of fragments with near-zero relative kinetic energy. Specifically, we consider four- and six-photon coherent excitation of molecular hydrogen to high vibrational levels via intermediate vibrational levels, which are pairwise coupled by two-photon resonant interaction. Using a sequence of three partially overlapping, single-mode, nanosecond laser pulses we show that the sixth vibrational level of H2, which is too weakly coupled to be easily accessed by direct two-photon Raman excitation from the ground vibrational level, can be efficiently populated without leaving any population stranded in the intermediate level. Furthermore, we show that the fourteenth vibrational level of H2, which is the highest vibrational level in the ground electronic state with a binding energy of 22 meV, can be efficiently and selectively populated using a sequence of four pulses. The present technique offers the unique possibility of preparing entangled quantum states of H atoms without resorting to an ultracold system.

  16. Raman lidar characterization of the meteorological, electromagnetic, and electro-optical environment

    Science.gov (United States)

    Philbrick, C. Russell

    2005-08-01

    Raman lidar has provided a remarkable tool for characterizing the various properties of the lower atmosphere. The research of the Penn State University Lidar Laboratory is focused on development of Raman lidar techniques and research using five Raman lidar instruments prepared since the mid-1970's. The LAPS instrument was demonstrated in 1996 as the first prototype for an operational shipboard lidar sensor. It is the most advanced lidar instrument developed to date for profiling properties of the lower atmosphere. The LAPS sensor measures profiles with eight data channels to determine several atmospheric properties simultaneously. The single most important property for understanding the meteorological state in the lower atmosphere is the water vapor profile. The specific humidity and temperature profiles are measured directly using the vibrational and rotational Raman scattered signals. The electromagnetic parameter of most interest is the gradient in the refractive index profile, because of the influence it has on RF-propagation of radar and radio communications signals. The electro-optical parameter of most interest is the optical extinction profile at various wavelengths, because optical propagation affects aircraft operations, visual aesthetics, and optical sensor performance. Profiles of water vapor, temperature and multiwavelength optical extinction are measured simultaneously to describe the meteorological, electromagnetic, electro-optical and air quality environmental conditions. Measurements are key in forecasting atmospheric conditions and are of major importance because of their influence on the performance of various systems. Current techniques and capabilities are described in this paper, and examples are used to indicate how well the Raman lidar performs in characterizing the atmosphere.

  17. Vibrational optical activity principles and applications

    CERN Document Server

    Nafie, Laurence A

    2011-01-01

    This unique book stands as the only comprehensive introduction to vibrational optical activity (VOA) and is the first single book that serves as a complete reference for this relatively new, but increasingly important area of molecular spectroscopy. Key features:A single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy.Serves as a guide on how to use it to carry out applications with relevant problem solving.Depth and breadth of the subject is presented in a logical, complete and progressive fashion. A

  18. Epi-detection of vibrational phase contrast coherent anti-Stokes Raman scattering

    NARCIS (Netherlands)

    Garbacik, E.T.; Korterik, Jeroen P.; Otto, Cornelis; Herek, Jennifer Lynn; Offerhaus, Herman L.

    2014-01-01

    We demonstrate a system for the phase-resolved epi-detection of coherent anti-Stokes Raman scattering (CARS) signals in highly scattering and/or thick samples. With this setup, we measure the complex vibrational responses of multiple components in a thick, highly-scattering pharmaceutical tablet in

  19. Optical fiber Raman-based spectroscopy for oral lesions characterization: a pilot study

    Science.gov (United States)

    Carvalho, Luis Felipe C. S.; Neto, Lázaro P. M.; Oliveira, Inajara P.; Rangel, João. Lucas; Ferreira, Isabelle; Kitakawa, Dárcio; Martin, Airton A.

    2016-03-01

    In the clinical daily life various lesions of the oral cavity have shown different aspects, generating an inconclusive or doubtful diagnosis. In general, oral injuries are diagnosed by histopathological analysis from biopsy, which is an invasive procedure and does not gives immediate results. In the other hand, Raman spectroscopy technique it is a real time and minimal invasive analytical tool, with notable diagnostic capability. This study aims to characterize, by optical fiber Raman-based spectroscopy (OFRS), normal, inflammatory, potentially malignant, benign and malign oral lesions. Raman data were collected by a Holospec f / 1.8 spectrograph (Kayser Optical Systems) coupled to an optical fiber, with a 785nm laser line source and a CCD Detector. The data were pre-processed and vector normalized. The average analysis and standard deviation was performed associated with cluster analysis and compared to the histopalogical results. Samples of described oral pathological processes were used in the study. The OFRS was efficient to characterized oral lesions and normal mucosa, in which biochemical information related to vibrational modes of proteins, lipids, nucleic acids and carbohydrates were observed. The technique (OFRS) is able to demonstrate biochemical information concern different types of oral lesions showing that Raman spectroscopy could be useful for an early and minimal invasive diagnosis.

  20. Ab-initio molecular dynamics and vibrational Raman spectroscopy investigations of quartz polymorph at high temperature

    Science.gov (United States)

    Sediki, Hayet; Simon, Patrick; Hadjadj, Aomar; Krallafa, Abdelghani M.

    2017-09-01

    Quartz has found a wide range of applications over the past years. In the present work, the temperature dependence of microcrystalline quartz is investigated with Raman spectroscopy and DFT-based molecular dynamics simulations. We aimed to determine the structure at short and medium range distances as a function of the increasing temperature. The dynamics and the structural changes are analysed in terms of time-dependent properties, and the vibrational analysis obtained from calculated dipole trajectory and vibrational density of states (VDOS). The computed data is compared to Raman and infrared spectroscopic measurements. The approach is of a particularly great interest when we focus on the structural behaviour, and the dynamical disorder observed and characterised through geometric and thermodynamic data. The calculations confirm that the infrared and Raman signature as a function of temperature provide a sensitive analysis of the structural behaviour of quartz.

  1. Raman optical activity of proteins and glycoproteins

    Energy Technology Data Exchange (ETDEWEB)

    Smyth, E

    2000-03-01

    Raman optical activity (ROA), measured in this project as a small difference in the intensity of Raman scattering from chiral molecules in right- and left-circularly polarised incident laser light, offers the potential to provide more information about the structure of biological molecules in aqueous solution than conventional spectroscopic techniques. Chapter one contains a general discussion of the relative merits of different spectroscopic techniques for structure determination of biomolecules, as well as a brief introduction to ROA. In Chapter two a theoretical analysis of ROA is developed, which extends the discussion in chapter one. The spectrometer setup and sample preparation is then discussed in chapter three. Instrument and sample conditions are monitored to ensure that the best results are obtained. As with any experimental project problems occur, which may result in a degradation of the spectra obtained. The cause of these problems was explored and remedied whenever possible. Chapter four introduces a brief account of protein, glycoprotein and carbohydrate structure and function, with a particular emphasis on the structure of proteins. In the remaining chapters experimental ROA results on proteins and glycoproteins, with some carbohydrate samples, from a wide range of sources are examined. For example, in chapter five some {beta}-sheet proteins are examined. Structural features in these proteins are examined in the extended amide III region of their ROA spectra, revealing that ROA is sensitive to the rigidity or flexibility inherent in proteins. Chapter six concentrates on a group of proteins (usually glycoproteins) known as the serine proteinase inhibitors (serpins). Medically, the serpins are one of the most important groups of proteins of current interest, with wide-ranging implications in conditions such as Down's syndrome, Alzheimer's disease, and emphysema with associated cirrhosis of the liver. With favourable samples and conditions ROA

  2. Damage monitoring and impact detection using optical fiber vibration sensors

    Science.gov (United States)

    Yang, Y. C.; Han, K. S.

    2002-06-01

    Intensity-based optical fiber vibrations sensors (OFVSs) are used in damage monitoring of fiber-reinforced plastics, in vibration sensing, and location of impacts. OFVSs were constructed by placing two cleaved fiber ends in a capillary tube. This sensor is able to monitor structural vibrations. For vibration sensing, the optical fiber sensor was mounted on the carbon fiber reinforced composite beam, and its response was investigated for free and forced vibration. For locating impact points, four OFVSs were placed at chosen positions and the different arrival times of impact-generated vibration signals were recorded. The impact location can be determined from these time delays. Indentation and tensile tests were performed with the measurement of the optical signal and acoustic emission (AE). The OFVSs accurately detected both free and forced vibration signals. Accurate locations of impact were determined on an acrylate plate. It was found that damage information, comparable in quality to AE data, could be obtained from the OFVS signals.

  3. Real-time depth-resolved fiber optic Raman endoscopy for in vivo diagnosis of gastric precancer

    Science.gov (United States)

    Bergholt, Mads S.; Zheng, Wei; Ho, Khek Yu; Yeoh, Khay Guan; Teh, Ming; So, Jimmy B. Y.; Huang, Zhiwei

    2014-03-01

    Raman spectroscopy represents a unique optical vibrational technique based on the fundamental premise of inelastic light scattering. Raman spectroscopy enables histopathological assessment at the biomolecular level. We have developed a fiber-optic depth-resolved near-infrared (NIR) Raman endoscopy technique integrated with on-line diagnostic algorithms for in vivo real-time epithelial diagnostics under multimodal wide-field imaging (i.e., white light reflectance (WLR), narrow-band imaging (NBI), autofluorescence imaging (AFI)) modalities. A selection of 450 patients who previously underwent Raman endoscopy (n=1900 spectra) was used to render diagnostic models for identifying gastric precancer (i.e., dysplasia) based on probabilistic partial least squares (PLS) - discriminant analysis (DA). The on-line Raman endoscopy technique was tested prospectively on (n=5) patients for real-time in vivo gastric epithelium tissue diagnosis. The fiber-optic confocal Raman endoscopic technique developed could prospectively identify gastric dysplasia in real-time with a sensitivity: 81.3% (61/75) and specificity 88.3% (188/213) on spectrum basis. On lesion basis, all dysplastic lesions were identified. This study successfully demonstrates for the first time the prospective real-time in vivo diagnosis of gastric precancer using depth-resolved Raman endoscopy.

  4. Optical trapping and Raman spectroscopy of single nanostructures using standing-wave Raman tweezers

    Science.gov (United States)

    Wu, Mu-ying; He, Lin; Chen, Gui-hua; Yang, Guang; Li, Yong-qing

    2017-08-01

    Optical tweezers integrated with Raman spectroscopy allows analyzing a single trapped micro-particle, but is generally less effective for individual nano-sized objects in the 10-100 nm range. The main challenge is the weak gradient force on nanoparticles that is insufficient to overcome the destabilizing effect of scattering force and Brownian motion. Here, we present standing-wave Raman tweezers for stable trapping and sensitive characterization of single isolated nanostructures with a low laser power by combining a standing-wave optical trap (SWOT) with confocal Raman spectroscopy. This scheme has stronger intensity gradients and balanced scattering forces, and thus is more stable and sensitive in measuring nanoparticles in liquid with 4-8 fold increase in the Raman signals. It can be used to analyze many nanoparticles that cannot be measured with single-beam Raman tweezers, including individual single-walled carbon nanotubes (SWCNT), graphene flakes, biological particles, polystyrene beads (100 nm), SERS-active metal nanoparticles, and high-refractive semiconductor nanoparticles with a low laser power of a few milliwatts. This would enable sorting and characterization of specific SWCNTs and other nanoparticles based on their increased Raman fingerprints.

  5. Zero-point vibrational effects on optical rotation

    DEFF Research Database (Denmark)

    Ruud, K.; Taylor, P.R.; Åstrand, P.-O.

    2001-01-01

    We investigate the effects of molecular vibrations on the optical rotation in two chiral molecules, methyloxirane and trans-2,3-dimethylthiirane. It is shown that the magnitude of zero-point vibrational corrections increases as the electronic contribution to the optical rotation increases....... Vibrational effects thus appear to be important for an overall estimate of the molecular optical rotation, amounting to about 20-30% of the electronic counterpart. We also investigate the special case of chirality introduced in a molecule through isotopic substitution. In this case, the zero-point vibrational...

  6. Micro-Raman Vibrational Identification of 10-MDP Bond to Zirconia and Shear Bond Strength Analysis

    Directory of Open Access Journals (Sweden)

    Diego Martins De-Paula

    2017-01-01

    Full Text Available So far, there is no report regarding the micro-Raman vibrational fingerprint of the bonds between 10-methacryloyloxy-decyl dihydrogen phosphate (10-MDP and zirconia ceramics. Thus, the aim of this study was to identify the Raman vibrational peaks related to the bonds of 10-MDP with zirconia, as well as the influence on microshear bond strength. Micro-Raman spectroscopy was employed to assess the vibrational peak of 10-MDP binding to zirconia. Microshear bond strength of the dual-cure resin cement to zirconia with the presence of 10-MDP in composition of experimental ceramic primer and self-adhesive resin cement was also surveyed. Statistical analysis was performed by one-way ANOVA and Tukey’s test (p<0.05. Peaks at 1545 cm−1 and 1562 cm−1 were found to refer to zirconia binding with 10-MDP. The presence of 10-MDP in both experimental ceramic primer and self-adhesive resin cement improved microshear bond strength to zirconia ceramic. It can be concluded that the nondestructive method of micro-Raman spectroscopy was able to characterize chemical bonds of 10-MDP with zirconia, which improves the bond strengths of resin cement.

  7. Raman imaging of biofilms using gold sputtered fiber optic probes

    Science.gov (United States)

    Christopher, Christina Grace Charlet; Manoharan, Hariharan; Subrahmanyam, Aryasomayajula; Sai, V. V. Raghavendra

    2016-12-01

    In this work we report characterization of bacterial biofilm using gold sputtered optical fiber probe as substrates for confocal Raman spectroscopy measurements. The chemical composition and the heterogeneity of biofilms in the extracellular polymeric substances (EPS) was evaluated. The spatial distribution of bacterial biofilm on the substrates during their growth phase was studied using Raman imaging. Further, the influence of substrate's surface on bacterial adhesion was investigated by studying growth of biofilms on surfaces with hydrophilic and hydrophobic coatings. This study validates the use of gold sputtered optical fiber probes as SERS substrates in confocal microscopic configuration to identify and characterize clinically relevant biofilms.

  8. Optical Sensors based on Raman Effects

    DEFF Research Database (Denmark)

    Jernshøj, Kit Drescher

    Formålet med denne afhandling er at give en systematisk og uddybende videnskabelig diskussion af molekylær Raman spredning, som kan danne grundlag for udviklingen af molekylespecifikke optiske sensorer til on-site, ikke-destruktiv måling. Afhandlingen falder i tre dele, to teoriafsnit, hvor første...

  9. Observation of the low frequency vibrational modes of bacteriophage M13 in water by Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Tsen Shaw-Wei D

    2006-09-01

    Full Text Available Abstract Background Recently, a technique which departs radically from conventional approaches has been proposed. This novel technique utilizes biological objects such as viruses as nano-templates for the fabrication of nanostructure elements. For example, rod-shaped viruses such as the M13 phage and tobacco mosaic virus have been successfully used as biological templates for the synthesis of semiconductor and metallic nanowires. Results and discussion Low wave number (≤ 20 cm-1 acoustic vibrations of the M13 phage have been studied using Raman spectroscopy. The experimental results are compared with theoretical calculations based on an elastic continuum model and appropriate Raman selection rules derived from a bond polarizability model. The observed Raman mode has been shown to belong to one of the Raman-active axial torsion modes of the M13 phage protein coat. Conclusion It is expected that the detection and characterization of this low frequency vibrational mode can be used for applications in nanotechnology such as for monitoring the process of virus functionalization and self-assembly. For example, the differences in Raman spectra can be used to monitor the coating of virus with some other materials and nano-assembly process, such as attaching a carbon nanotube or quantum dots.

  10. New insight into the solution structures of wheat gluten proteins from Raman optical activity

    DEFF Research Database (Denmark)

    Blanch, E.W.; Kasarda, D.D.; Hecht, L.

    2003-01-01

    Vibrational Raman optical activity (ROA) spectra of the wheat proteins a-gliadin (A-gliadin), omega-liadin, and a 30 kDa peptide called T-A-1 from the high molecular weight glutenin subunit (HMW-GS) Dx5 were measured to obtain new information about their solution structures. The spectral data show...... with a model in which HMW-GS are extended but not highly rigid. Application of a pattern recognition technique, based on principal component analysis (PCA), to the ROA spectra reinforces these conclusions....

  11. Corrosion product characterisation by fibre optic raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Guzonas, D.A.; Rochefort, P.A.; Turner, C.W. [Atomic Energy of Canada Limited, Chalk River, Ontario (Canada)

    1998-07-01

    Fibre optic Raman spectroscopy has been used to characterise secondary-side deposits removed from CANDU steam generators. The deposits examined were in the form of powders, millimetre-sized flakes, and deposits on the surfaces of pulled steam generator tubes. The compositions of the deposits obtained using Raman spectroscopy are similar to the compositions obtained using other ex-situ analytical techniques. A semi-quantitative estimate of amounts of the major components can be obtained from the spectra. It was noted that the signal-to-noise ratio of the Raman spectra decreased as the amount of magnetite in the deposit increased, as a result of absorption of the laser light by the magnetite. The conversion of magnetite to hematite by the laser beam was observed when high laser powers were used. The Raman spectra of larger flake samples clearly illustrate the inhomogeneous nature of the deposits. (author)

  12. Ultrafast optical nonlinearity, electronic absorption, vibrational spectra and solvent effect studies of ninhydrin

    Science.gov (United States)

    Sajan, D.; Devi, T. Uma; Safakath, K.; Philip, Reji; Němec, Ivan; Karabacak, M.

    2013-05-01

    FT-IR, FT-Raman and UV-Vis spectra of the nonlinear optical molecule ninhydrin have been recorded and analyzed. The equilibrium geometry, bonding features, and harmonic vibrational wavenumbers have been investigated with the help of B3LYP density functional theory method. A detailed interpretation of the vibrational spectra is carried out with the aid of normal coordinate analysis following the scaled quantum mechanical force field methodology. Solvent effects have been calculated using time-dependent density functional theory in combination with the polarized continuum model. Natural bond orbital analysis confirms the occurrence of strong intermolecular hydrogen bonding in the molecule. Employing the open-aperture z-scan technique, nonlinear optical absorption of the sample has been studied in the ultrafast and short-pulse excitation regimes, using 100 fs and 5 ns laser pulses respectively. It is found that ninhydrin exhibits optical limiting for both excitations, indicating potential photonic applications.

  13. Structure detection in a libration vibration spectrum of water molecules by methods of nonlinear optics

    Energy Technology Data Exchange (ETDEWEB)

    Babenko, V A; Sychev, Andrei A [P N Lebedev Physical Institute, Russian Academy of Sciences, Moscow (Russian Federation)

    2012-09-30

    In exciting water possessing an enhanced optical strength by the radiation of a YAG : Nd{sup 3+} laser with 20-ps pulses, nonlinear scattering of light was detected in the frequency range of the optical second harmonic. A relationship was established of the signal of the nonlinear scattering with a stimulated Raman scattering (SRS) of the laser radiation in water. Near the SRS threshold, the structure was observed in the spectrum of nonlinear scattering, which is related to intermolecular libration vibrations of water molecules. (laser applications and other topics in quantum electronics)

  14. Vibrational microspectroscopy of food. Raman vs. FT-IR

    DEFF Research Database (Denmark)

    Thygesen, Lisbeth Garbrecht; Løkke, Mette Marie; Micklander, Elisabeth

    2003-01-01

    . The high spatial resolution makes it possible to study areas down to approximately 10x10 mum with FT-IR microspectroscopy and approximately 1 x 1 mum with Raman microspectroscopy. This presentation highlights the advantages and disadvantages of the two microspectroscopic techniques when applied......) the composition of blisters found on the surface of bread, (4) the microstructure of high-lysine barley and (5) the composition of white spots in the shell of frozen shrimps. (C) 2003 Elsevier Science Ltd. All rights reserved....

  15. Chiral Topological Orders in an Optical Raman Lattice (Open Source)

    Science.gov (United States)

    2016-03-01

    resolution of this difficulty is to consider lanthanide atomswhich can have less heating due to largefine structure splitting and narrownatural linewidth in...Generalization of the present optical Raman lattice scheme to other situations, e.g. the high-orbital bands, 3D systems, andmore exotic lattice

  16. A Fourier transform-Raman and infrared vibrational study of delorazepam, fludiazepam, flurazepam, and tetrazepam.

    Science.gov (United States)

    Neville, G A; Beckstead, H D; Shurvell, H F

    1994-02-01

    Fourier transform-Raman and IR spectra of four compounds that are closely related to diazepam (Valium) have been recorded. The compounds, delorazepam, fludiazepam, flurazepam, and tetrazepam, are all 7-chloro-1,3-dihydro-[2H]-1,4-benzodiazepine -2-ones and differ from diazepam by the substituents at positions 1 and 5 of the diazepine ring. The spectra show characteristic features associated with both the diazepine ring and substituents. A strong line near 1610 cm-1 in the Raman spectra is assigned to the C = N stretch of the diazepine ring, and very strong IR absorption near 1690 cm-1 is attributed to the C = O stretching mode. Various IR and Raman vibrational features serve to characterize and differentiate these molecules. Evidence for intermolecular hydrogen bonding in one of the compounds (delorazepam) is presented.

  17. Enhanced optical coupling and Raman scattering via microscopic interface engineering

    Science.gov (United States)

    Thompson, Jonathan V.; Hokr, Brett H.; Kim, Wihan; Ballmann, Charles W.; Applegate, Brian E.; Jo, Javier A.; Yamilov, Alexey; Cao, Hui; Scully, Marlan O.; Yakovlev, Vladislav V.

    2017-11-01

    Spontaneous Raman scattering is an extremely powerful tool for the remote detection and identification of various chemical materials. However, when those materials are contained within strongly scattering or turbid media, as is the case in many biological and security related systems, the sensitivity and range of Raman signal generation and detection is severely limited. Here, we demonstrate that through microscopic engineering of the optical interface, the optical coupling of light into a turbid material can be substantially enhanced. This improved coupling facilitates the enhancement of the Raman scattering signal generated by molecules within the medium. In particular, we detect at least two-orders of magnitude more spontaneous Raman scattering from a sample when the pump laser light is focused into a microscopic hole in the surface of the sample. Because this approach enhances both the interaction time and interaction region of the laser light within the material, its use will greatly improve the range and sensitivity of many spectroscopic techniques, including Raman scattering and fluorescence emission detection, inside highly scattering environments.

  18. Revealing silent vibration modes of nanomaterials by detecting anti-Stokes hyper-Raman scattering with femtosecond laser pulses.

    Science.gov (United States)

    Zeng, Jianhua; Chen, Lei; Dai, Qiaofeng; Lan, Sheng; Tie, Shaolong

    2016-01-21

    We proposed a scheme in which normal Raman scattering is coupled with hyper-Raman scattering for generating a strong anti-Stokes hyper-Raman scattering in nanomaterials by using femtosecond laser pulses. The proposal was experimentally demonstrated by using a single-layer MoS2 on a SiO2/Si substrate, a 17 nm-thick MoS2 on an Au/SiO2 substrate and a 9 nm-thick MoS2 on a SiO2-SnO2/Ag/SiO2 substrate which were confirmed to be highly efficient for second harmonic generation. A strong anti-Stokes hyper-Raman scattering was also observed in other nanomaterials possessing large second-order susceptibilities, such as silicon quantum dots self-assembled into "coffee" rings and tubular Cu-doped ZnO nanorods. In all the cases, many Raman inactive vibration modes were clearly revealed in the anti-Stokes hyper-Raman scattering. Apart from the strong anti-Stokes hyper-Raman scattering, Stokes hyper-Raman scattering with small Raman shifts was detected during the ablation process of thick MoS2 layers. It was also observed by slightly defocusing the excitation light. The detection of anti-Stokes hyper-Raman scattering may serve as a new technique for studying the Raman inactive vibration modes in nanomaterials.

  19. Optical characterization of semiconductors infrared, Raman, and photoluminescence spectroscopy

    CERN Document Server

    Perkowitz, Sidney

    1993-01-01

    This is the first book to explain, illustrate, and compare the most widely used methods in optics: photoluminescence, infrared spectroscopy, and Raman scattering. Written with non-experts in mind, the book develops the background needed to understand the why and how of each technique, but does not require special knowledge of semiconductors or optics. Each method is illustrated with numerous case studies. Practical information drawn from the authors experience is given to help establish optical facilities, including commercial sources for equipment, and experimental details. For industrial sci

  20. Optical Coherence Tomography and Raman Spectroscopy of the retina

    Energy Technology Data Exchange (ETDEWEB)

    Evans, J W; Zawadzki, R J; Liu, R; Chan, J; Lane, S; Werner, J S

    2009-01-16

    Imaging the structure and correlating it with the biochemical content of the retina holds promise for fundamental research and for clinical applications. Optical coherence tomography (OCT) is commonly used to image the 3D structure of the retina and while the added functionality of biochemical analysis afforded by Raman scattering could provide critical molecular signatures for clinicians and researchers, there are many technical challenges to combining these imaging modalities. We present an ex vivo OCT microscope combined with Raman spectroscopy capable of collecting morphological and molecular information about a sample simultaneously. The combined instrument will be used to investigate remaining technical challenges to combine these imaging modalities, such as the laser power levels needed to achieve a Raman signal above the noise level without damaging the sample.

  1. Antimicrobial activity, structural evaluation and vibrational (FT-IR and FT-Raman) study of pyrrole containing vinyl derivatives

    Science.gov (United States)

    Singh, R. N.; Rawat, Poonam; Sahu, Sangeeta; Kumar, Yashvinder

    2016-02-01

    In this paper we present structural and vibrational study of three vinylpyrrole derivatives: 2-Cyano-3-(1H-pyrrol-2-yl)-acrylamide (CPA), 1-(1H-Pyrrol-2-yl)-Pent-1-en-3-one (PP) and 1-(1H-Pyrrol-2-yl)-but-1-en-3-one (PB), using ab initio, DFT and experimental approaches. The quantum chemical calculation have been performed on B3LYP method and 6-311 + G(d,p) basis set. The experimental FT-IR and Raman wavenumbers were compared with the respective theoretical values obtained from DFT calculations and found to agree well. The experimental FT-IR and Raman study clearly indicate that the compound exist as dimer in solid state. The binding energies of (CPA), (PP) and (PB) dimers are found to be 20.95, 18.75 and 19.18 kcal/mol, respectively. The vibrational analysis shows red shifts in vN-H and vCdbnd O stretching as result of dimer formation. Stability of the molecule arising from hyperconjugative interactions and charge delocalization has been analyzed using NBO analysis. Topological and energetic parameters reveal the nature of interactions in dimer. The local electronic descriptors analyses were used to predict the reactive sites in the molecule. Calculated first static hyperpolarizability of CPA, PP and PB is found to be 10.41 × 10- 30, 18.93 × 10- 30, 18.29 × 10- 30 esu, respectively, shows that investigated molecules will have non-linear optical response and might be used as non-linear optical (NLO) material. These vinylpyrrole compounds (CPA), (PP) and (PB) showed antifungal and antibacterial activity against Aspergillus niger and gram-positive bacteria Bacillus subtili.

  2. Distributed Fiber-Optic Sensors for Vibration Detection

    Science.gov (United States)

    Liu, Xin; Jin, Baoquan; Bai, Qing; Wang, Yu; Wang, Dong; Wang, Yuncai

    2016-01-01

    Distributed fiber-optic vibration sensors receive extensive investigation and play a significant role in the sensor panorama. Optical parameters such as light intensity, phase, polarization state, or light frequency will change when external vibration is applied on the sensing fiber. In this paper, various technologies of distributed fiber-optic vibration sensing are reviewed, from interferometric sensing technology, such as Sagnac, Mach–Zehnder, and Michelson, to backscattering-based sensing technology, such as phase-sensitive optical time domain reflectometer, polarization-optical time domain reflectometer, optical frequency domain reflectometer, as well as some combinations of interferometric and backscattering-based techniques. Their operation principles are presented and recent research efforts are also included. Finally, the applications of distributed fiber-optic vibration sensors are summarized, which mainly include structural health monitoring and perimeter security, etc. Overall, distributed fiber-optic vibration sensors possess the advantages of large-scale monitoring, good concealment, excellent flexibility, and immunity to electromagnetic interference, and thus show considerable potential for a variety of practical applications. PMID:27472334

  3. Distributed Fiber-Optic Sensors for Vibration Detection.

    Science.gov (United States)

    Liu, Xin; Jin, Baoquan; Bai, Qing; Wang, Yu; Wang, Dong; Wang, Yuncai

    2016-07-26

    Distributed fiber-optic vibration sensors receive extensive investigation and play a significant role in the sensor panorama. Optical parameters such as light intensity, phase, polarization state, or light frequency will change when external vibration is applied on the sensing fiber. In this paper, various technologies of distributed fiber-optic vibration sensing are reviewed, from interferometric sensing technology, such as Sagnac, Mach-Zehnder, and Michelson, to backscattering-based sensing technology, such as phase-sensitive optical time domain reflectometer, polarization-optical time domain reflectometer, optical frequency domain reflectometer, as well as some combinations of interferometric and backscattering-based techniques. Their operation principles are presented and recent research efforts are also included. Finally, the applications of distributed fiber-optic vibration sensors are summarized, which mainly include structural health monitoring and perimeter security, etc. Overall, distributed fiber-optic vibration sensors possess the advantages of large-scale monitoring, good concealment, excellent flexibility, and immunity to electromagnetic interference, and thus show considerable potential for a variety of practical applications.

  4. Distributed Fiber-Optic Sensors for Vibration Detection

    Directory of Open Access Journals (Sweden)

    Xin Liu

    2016-07-01

    Full Text Available Distributed fiber-optic vibration sensors receive extensive investigation and play a significant role in the sensor panorama. Optical parameters such as light intensity, phase, polarization state, or light frequency will change when external vibration is applied on the sensing fiber. In this paper, various technologies of distributed fiber-optic vibration sensing are reviewed, from interferometric sensing technology, such as Sagnac, Mach–Zehnder, and Michelson, to backscattering-based sensing technology, such as phase-sensitive optical time domain reflectometer, polarization-optical time domain reflectometer, optical frequency domain reflectometer, as well as some combinations of interferometric and backscattering-based techniques. Their operation principles are presented and recent research efforts are also included. Finally, the applications of distributed fiber-optic vibration sensors are summarized, which mainly include structural health monitoring and perimeter security, etc. Overall, distributed fiber-optic vibration sensors possess the advantages of large-scale monitoring, good concealment, excellent flexibility, and immunity to electromagnetic interference, and thus show considerable potential for a variety of practical applications.

  5. High-speed optical measurement for the drumhead vibration

    Science.gov (United States)

    Zhang, Qican; Su, Xianyu

    2005-04-01

    In this paper, a high-speed optical measurement for the vibrating drumhead is presented and verified by experiment. A projected sinusoidal fringe pattern on the measured drumhead is dynamically deformed with the vibration of the membrane and grabbed by a high-speed camera. The shape deformation of the drumhead at each sampling instant can be recovered from this sequence of obtained fringe patterns. The vibration of the membrane of a Chinese drum has been measured with a high speed sampling rate (1,000 fps) and a standard deviation (0.075 mm). The restored vibration of the drumhead is also presented in an animation.

  6. Vibration Performance Comparison Study on Current Fiber Optic Connector Technologies

    Science.gov (United States)

    Ott, Melanie N.; Thomes Jr., William J.; LaRocca, Frank V.; Switzer, Robert C.; Chuska, Rick F.; Macmurphy, Shawn L.

    2008-01-01

    Fiber optic cables are increasingly being used in harsh environments where they are subjected to vibration. Understanding the degradation in performance under these conditions is essential for integration of the fibers into the given application. System constraints oftentimes require fiber optic connectors so subsystems can be removed or assembled as needed. In the present work, various types of fiber optic connectors were monitored in-situ during vibration testing to examine the transient change in optical transmission and the steady-state variation following the event. Inspection of the fiber endfaces and connectors was performed at chosen intervals throughout the testing.

  7. Optical table with embedded active vibration dampers (smart table)

    Science.gov (United States)

    Ryaboy, Vyacheslav M.; Kasturi, Prakash S.; Nastase, Adrian S.; Rigney, Thomas K.

    2005-05-01

    This paper describes the actively damped optical table developed and introduced as a standard product, ST series SmartTable(TM), by Newport Corporation. The active damping system is self-adjusting and robust with respect to changes in payload and vibration environment. It outperforms not only the broadband damped optical tables, but also the top-of-the-line tables equipped with tuned passive vibration absorbers. The maximum resonance vibration amplitudes are reduced about ten times. Additionally, the user has the benefit of being able to monitor and analyze vibration of the table by the conditioned low-noise signals from the embedded vibration sensors. Theoretical background, analysis, design rationale and experimental verification of the system are presented, with emphasis on sensor-actuator pairs architecture, signal processing and adaptive controls.

  8. Quantitative analysis of sugar composition in honey using 532-nm excitation Raman and Raman optical activity spectra

    Czech Academy of Sciences Publication Activity Database

    Šugar, Jan; Bouř, Petr

    2016-01-01

    Roč. 47, č. 11 (2016), s. 1298-1303 ISSN 0377-0486 R&D Projects: GA ČR GA15-09072S Institutional support: RVO:61388963 Keywords : honey * sugar mixtures * spectral decompositions * Raman spectroscopy * Raman optical activity Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.969, year: 2016

  9. Resolved-sideband Raman cooling of an optical phonon in semiconductor materials

    Science.gov (United States)

    Zhang, Jun; Zhang, Qing; Wang, Xingzhi; Kwek, Leong Chuan; Xiong, Qihua

    2016-09-01

    The radiation pressure of light has been widely used to cool trapped atoms or the mechanical vibrational modes of optomechanical systems. Recently, by using the electrostrictive forces of light, spontaneous Brillouin cooling and stimulated Brillouin excitation of acoustic modes of the whispering-gallery-type resonator have been demonstrated. The laser cooling of specific lattice vibrations in solids (that is, phonons) proposed by Dykman in the late 1970s, however, still remains sparsely investigated. Here, we demonstrate the first strong spontaneous Raman cooling and heating of a longitudinal optical phonon (LOP) with a 6.23 THz frequency in polar semiconductor zinc telluride nanobelts. We use the exciton to resonate and assist photoelastic Raman scattering from the LOPs caused by a strong exciton-LOP coupling. By detuning the laser pump to a lower (higher) energy-resolved sideband to make a spontaneous scattering photon resonate with an exciton at an anti-Stokes (Stokes) frequency, the dipole oscillation of the LOPs is photoelastically attenuated (enhanced) to a colder (hotter) state.

  10. Optical and vibrational properties of phosphorylcholine-based contact lenses-Experimental and theoretical investigations

    Science.gov (United States)

    Filipecka, Katarzyna; Miedziński, Rafał; Sitarz, Maciej; Filipecki, Jacek; Makowska-Janusik, Małgorzata

    2017-04-01

    The Raman, MIR and UV-vis spectroscopy have been used to characterize Omafilcon A material constructing the one of the Proclear family contact lenses. The Omafilcon A is hydrogel material composed of 2-hydroxyethyl methacrylate (HEMA) and 2-methacryloyloxyethyl phosphorylcholine (PC) polymers crosslinked with ethyleneglycol dimethacrylate (EGDMA). Vibrational and electronic properties of the Omafilcon A material were also investigated by quantum chemical calculations. Experimentally obtained Raman, MIR and optical spectra were compared to the theoretical ones calculated applying RHF and DFT methodology. The quantum chemical calculations were performed for isolated monomers of lenses compounds as well as for their dimers and trimers to elucidate the effect of Omafilcon A polymerization and the role of an individual components.

  11. The impact of vibrational Raman scattering of air on DOAS measurements of atmospheric trace gases

    Science.gov (United States)

    Lampel, J.; Frieß, U.; Platt, U.

    2015-09-01

    In remote sensing applications, such as differential optical absorption spectroscopy (DOAS), atmospheric scattering processes need to be considered. After inelastic scattering on N2 and O2 molecules, the scattered photons occur as additional intensity at a different wavelength, effectively leading to "filling-in" of both solar Fraunhofer lines and absorptions of atmospheric constituents, if the inelastic scattering happens after the absorption. Measured spectra in passive DOAS applications are typically corrected for rotational Raman scattering (RRS), also called Ring effect, which represents the main contribution to inelastic scattering. Inelastic scattering can also occur in liquid water, and its influence on DOAS measurements has been observed over clear ocean water. In contrast to that, vibrational Raman scattering (VRS) of N2 and O2 has often been thought to be negligible, but it also contributes. Consequences of VRS are red-shifted Fraunhofer structures in scattered light spectra and filling-in of Fraunhofer lines, additional to RRS. At 393 nm, the spectral shift is 25 and 40 nm for VRS of O2 and N2, respectively. We describe how to calculate VRS correction spectra according to the Ring spectrum. We use the VRS correction spectra in the spectral range of 420-440 nm to determine the relative magnitude of the cross-sections of VRS of O2 and N2 and RRS of air. The effect of VRS is shown for the first time in spectral evaluations of Multi-Axis DOAS data from the SOPRAN M91 campaign and the MAD-CAT MAX-DOAS intercomparison campaign. The measurements yield in agreement with calculated scattering cross-sections that the observed VRS(N2) cross-section at 393 nm amounts to 2.3 ± 0.4 % of the cross-section of RRS at 433 nm under tropospheric conditions. The contribution of VRS(O2) is also found to be in agreement with calculated scattering cross-sections. It is concluded, that this phenomenon has to be included in the spectral evaluation of weak absorbers as it

  12. Anomalous lattice vibrations of monolayer MoS 2 probed by ultraviolet Raman scattering

    KAUST Repository

    Liu, Hsiang Lin

    2015-01-01

    We present a comprehensive Raman scattering study of monolayer MoS2 with increasing laser excitation energies ranging from the near-infrared to the deep-ultraviolet. The Raman scattering intensities from the second-order phonon modes are revealed to be enhanced anomalously by only the ultraviolet excitation wavelength 354 nm. We demonstrate theoretically that such resonant behavior arises from a strong optical absorption that forms near the Γ point and of the band structure and an inter-valley resonant electronic scattering by the M-point phonons. These results advance our understanding of the double resonance Raman scattering process in low-dimensional semiconducting nanomaterials and provide a foundation for the technological development of monolayer MoS2 in the ultraviolet frequency range. © the Owner Societies 2015.

  13. Surface-enhanced Raman scattering: a new optical probe in molecular biophysics and biomedicine

    DEFF Research Database (Denmark)

    Kneipp, J.; Wittig, B.; Bohr, Henrik

    2010-01-01

    Sensitive and detailed molecular structural information plays an increasing role in molecular biophysics and molecular medicine. Therefore, vibrational spectroscopic techniques, such as Raman scattering, which provide high structural information content are of growing interest in biophysical...

  14. Nonplanar tertiary amides in rigid chiral tricyclic dilactams. Peptide group distortions and vibrational optical activity.

    Science.gov (United States)

    Pazderková, Markéta; Profant, Václav; Hodačová, Jana; Sebestík, Jaroslav; Pazderka, Tomáš; Novotná, Pavlína; Urbanová, Marie; Safařík, Martin; Buděšínský, Miloš; Tichý, Miloš; Bednárová, Lucie; Baumruk, Vladimír; Maloň, Petr

    2013-08-22

    We investigate amide nonplanarity in vibrational optical activity (VOA) spectra of tricyclic spirodilactams 5,8-diazatricyclo[6,3,0,0(1,5)]undecan-4,9-dione (I) and its 6,6',7,7'-tetradeuterio derivative (II). These rigid molecules constrain amide groups to nonplanar geometries with twisted pyramidal arrangements of bonds to amide nitrogen atoms. We have collected a full range vibrational circular dichroism (VCD) and Raman optical activity (ROA) spectra including signals of C-H and C-D stretching vibrations. We report normal-mode analysis and a comparison of calculated to experimental VCD and ROA. The data provide band-to-band assignment and offer a possibility to evaluate roles of constrained nonplanar tertiary amide groups and rigid chiral skeletons. Nonplanarity shows as single-signed VCD and ROA amide I signals, prevailing the couplets expected to arise from the amide-amide interaction. Amide-amide coupling dominates amide II (mainly C'-N stretching, modified in tertiary amides by the absence of a N-H bond) transitions (strong couplet in VCD, no significant ROA) probably due to the close proximity of amide nitrogen atoms. At lower wavenumbers, ROA spectra exhibit another likely manifestation of amide nonplanarity, showing signals of amide V (δ(oop)(N-C) at ~570 cm(-1)) and amide VI (δ(oop)(C'═O) at ~700 cm(-1) and ~650 cm(-1)) vibrations.

  15. Vibrational properties of SrCu{sub 2}O{sub 2} studied via Density Functional Theory calculations and compared to Raman and infrared spectroscopy measurements

    Energy Technology Data Exchange (ETDEWEB)

    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); Pedesseau, L.; Durand, O. [Université Européenne de Bretagne, INSA, FOTON, UMR CNRS 6082, 20 Avenue des Buttes de Coësmes, F-35708 Rennes (France); Modreanu, M. [Tyndall National Institute, Lee Maltings, Prospect Row, Cork (Ireland); Huyberechts, G. [FLAMAC, Technologiepark 903, 9052 Zwijnaarde (Belgium); Servet, B. [Thales Research and Technology France, Campus Polytechnique, 1, avenue Augustin Fresnel, 91767 Palaiseau cedex France (France); Chaix-Pluchery, O. [Laboratoire des Matériaux et du Génie Physique, Grenoble INP—Minatec, 3, parvis Louis Néel, BP 257, 38016 Grenoble Cedex 1 (France)

    2013-08-31

    The SrCu{sub 2}O{sub 2} material is a p-type transparent conductive oxide. A theoretical study of the SrCu{sub 2}O{sub 2} crystal is performed with a state of the art implementation of the Density Functional Theory. The simulated crystal structure is compared with available X-ray diffraction data and previous theoretical modeling. Density Functional Perturbation Theory is used to study the vibrational properties of the SrCu{sub 2}O{sub 2} crystal. A symmetry analysis of the optical phonon eigenvectors at the Brillouin zone center is proposed. The Raman spectra simulated using the derivatives of the dielectric susceptibility, show a good agreement with Raman scattering experimental results. - Highlights: ► The symmetry properties of the optical phonons of the SrCu{sub 2}O{sub 2} crystal are analyzed. ► Born charges and the dynamical matrix are calculated at the Brillouin zone center. ► Density Functional Perturbation Theory (DFPT) is used to compute Raman spectrum. ► DFPT Raman spectrum is compared with experimental results.

  16. Ab-initio study of structural, vibrational and optical properties of solid oxidizers

    Energy Technology Data Exchange (ETDEWEB)

    Yedukondalu, N.; Vaitheeswaran, G., E-mail: gvsp@uohyd.ernet.in

    2016-09-15

    We report the structural, elastic and vibrational properties of five ionic-molecular solid oxidizers MNO{sub 3} (M = Li, Na, K) and MClO{sub 3} (M = Na, K). By treating long range electron-correlation effects, dispersion corrected method leads to more accurate predictions of structural properties and phase stability of KNO{sub 3} polymorphs. The obtained elastic moduli show soft nature of these materials and are consistent with Ultrasonic Pulse Echo measurements. We made a complete assignment of vibrational modes which are in good accord with available experimental results. From calculated IR and Raman spectra, it is found that the vibrational frequencies show a red-shift from Li → Na → K (Na → K) and N → Cl for nitrates (chlorates) due to increase in mass of metal and non-metal atoms, respectively. The calculated electronic structure using recently developed Tran-Blaha modified Becke-Johnson potential show that the materials are wide band gap insulators with predominant ionic bonding between M{sup +} (metal) and NO{sub 3}{sup −}/ClO{sub 3}{sup −} ions and covalent bonding (N−O and Cl−O) within nitrate and chlorate anionic group. From the calculated optical spectra, we observe that electric-dipole transitions are due to nitrate/chlorate group below 20 eV and cationic transitions occur above 20 eV. The calculated reflectivity spectra are consistent with the available experimental measurements. - Highlights: • Ground state properties with inclusion of dispersion correction method. • Elastic constants and mechanical properties. • Vibrational spectra and their complete assignment. • Raman and IR spectra. • Electronic structure and optical properties using TB-mBJ potential.

  17. Vibrational and optical spectroscopies integrated with environmental transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Picher, Matthieu; Mazzucco, Stefano [Center for Nanoscale Science and Technology, National Institute of Standards and Technology, Gaithersburg, MD 20899-6203 (United States); Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, MD 20740 (United States); Blankenship, Steve [Center for Nanoscale Science and Technology, National Institute of Standards and Technology, Gaithersburg, MD 20899-6203 (United States); Sharma, Renu, E-mail: renu.sharma@nist.gov [Center for Nanoscale Science and Technology, National Institute of Standards and Technology, Gaithersburg, MD 20899-6203 (United States)

    2015-03-15

    Here, we present a measurement platform for collecting multiple types of spectroscopy data during high-resolution environmental transmission electron microscopy observations of dynamic processes. Such coupled measurements are made possible by a broadband, high-efficiency, free-space optical system. The critical element of the system is a parabolic mirror, inserted using an independent hollow rod and placed below the sample holder which can focus a light on the sample and/or collect the optical response. We demonstrate the versatility of this optical setup by using it to combine in situ atomic-scale electron microscopy observations with Raman spectroscopy. The Raman data is also used to measure the local temperature of the observed sample area. Other applications include, but are not limited to: cathodo- and photoluminescence spectroscopy, and use of the laser as a local, high-rate heating source. - Highlights: • Broadband, high-efficiency design adaptable to other electron microscopes. • Raman spectroscopy integrated with environmental transmission electron microscopy. • Raman spectra peak frequency shifts enable measurement of local sample temperature. • Multiple types of optical spectroscopy enabled, e.g. cathodoluminescence.

  18. Microwave, infrared and Raman spectra, conformational stability and vibrational assignment of methoxyflurane

    Science.gov (United States)

    Li, Y. S.; Durig, J. R.

    1982-05-01

    The low resolution microwave spectrum of methoxyflurane, CHCl 2CF 2OCH 3, has been recorded from 26.5 to 39.0 GHz. From the spacing of the major transitions it is shown that the value of 2036 MHz for B + C is consistent with the trans-trans or gauche-trans conformers where the first term ( trans or gauche) refers to the internal rotation around the C-C bond. The infrared (40-3500 cm -1) and the Raman (20-3500 cm -1) spectra have been recorded for gaseous and solid methoxyflurane. Additionally, the Raman spectrum of the liquid has been obtained and qualitative depolarization ratios measured. From these data it is shown that the most stable form in the fluid phases at ambient temperature is the gauche-trans conformer but the trans-trans form is the most stable in the solid state. A complete vibrational analysis based on infrared band contours, depolarization values and group frequencies is proposed for this conformer. From the analysis of the low frequency vibrational data, values of some of the barriers to internal rotation are estimated. These results are compared to some similar quantities for some corresponding molecules.

  19. Fiber-Optic Vibration Sensor Based on Multimode Fiber

    Directory of Open Access Journals (Sweden)

    I. Lujo

    2008-06-01

    Full Text Available The purpose of this paper is to present a fiberoptic vibration sensor based on the monitoring of the mode distribution in a multimode optical fiber. Detection of vibrations and their parameters is possible through observation of the output speckle pattern from the multimode optical fiber. A working experimental model has been built in which all used components are widely available and cheap: a CCD camera (a simple web-cam, a multimode laser in visible range as a light source, a length of multimode optical fiber, and a computer for signal processing. Measurements have shown good agreement with the actual frequency of vibrations, and promising results were achieved with the amplitude measurements although they require some adaptation of the experimental model. Proposed sensor is cheap and lightweight and therefore presents an interesting alternative for monitoring large smart structures.

  20. Perspective on quantifying electron localization/delocalization, non-linear optical response and vibrational analysis of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline

    Science.gov (United States)

    Arun Sasi, B. S.; Jebin, R. P.; Suthan, T.; James, C.

    2017-10-01

    An organic nonlinear optical material 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline (DMBDNA) has been grown by slow evaporation technique. Vibrational spectral analysis has been carried out using FT Raman, FT-IR and UV-Vis spectroscopic techniques. The influence of intramolecular charge transfer within the molecule has been studied on the basis of NBO analysis. Vibrational frequencies have been calculated and scaled, which has been compared with the experimental FT-IR and FT Raman spectra. The effect of electronic localization and delocalization within the molecule is conceded on the basis of electron density partitioning paradigm.

  1. Observation of Paramagnetic Raman Optical Activity of Nitrogen Dioxide

    Czech Academy of Sciences Publication Activity Database

    Šebestík, Jaroslav; Bouř, Petr

    2014-01-01

    Roč. 53, č. 35 (2014), s. 9236-9239 ISSN 1433-7851 R&D Projects: GA ČR GAP208/11/0105; GA ČR(CZ) GA14-00431S; GA MŠk(CZ) LH11033 Grant - others:GA AV ČR(CZ) M200550902 Institutional support: RVO:61388963 Keywords : angular momentum theory * nitrogen dioxide * paramagnetic gases * Raman optical activity * spectral simulations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 11.261, year: 2014

  2. Raman-Enhanced Phase-Sensitive Fibre Optical Parametric Amplifier

    Science.gov (United States)

    Fu, Xuelei; Guo, Xiaojie; Shu, Chester

    2016-01-01

    Phase-sensitive amplification is of great research interest owing to its potential in noiseless amplification. One key feature in a phase-sensitive amplifier is the gain extinction ratio defined as the ratio of the maximum to the minimum gains. It quantifies the capability of the amplifier in performing low-noise amplification for high phase-sensitive gain. Considering a phase-sensitive fibre optical parametric amplifier for linear amplification, the gain extinction ratio increases with the phase-insensitive parametric gain achieved from the same pump. In this work, we use backward Raman amplification to increase the phase-insensitive parametric gain, which in turn improves the phase-sensitive operation. Using a 955 mW Raman pump, the gain extinction ratio is increased by 9.2 dB. The improvement in the maximum phase-sensitive gain is 18.7 dB. This scheme can significantly boost the performance of phase-sensitive amplification in a spectral range where the parametric pump is not sufficiently strong but broadband Raman amplification is available. PMID:26830136

  3. Extremely slow intramolecular vibrational redistribution: Direct observation by time-resolved raman spectroscopy in trifluoropropyne

    Science.gov (United States)

    Malinovsky, A. L.; Makarov, A. A.; Ryabov, E. A.

    2011-04-01

    We have studied the dynamics of intramolecular vibrational redistribution (IVR) from the initially excited mode v1 ≈ 3330 cm-1 (acetylene-type H-C bond) in H-C≡C-CF3 molecules in the gaseous phase by means of anti-Stokes spontaneous Raman scattering. The time constant of this process is estimated as 2.3 ns—this is the slowest IVR time reported so far for the room-temperature gases. It is suggested that so long IVR time with respect to the other propyne derivatives can be explained by a larger defect, in this case, of the Fermi resonance of v1 with v2 + 2v7—the most probable doorway state leading to IVR from v1 to the bath of all vibrational-rotational states with the close energies. In addition, it is shown that the observed dynamics is in agreement with a theoretical model assuming strong vibrational-rotational mixing.

  4. Vibrational Raman spectra of hydrogen clathrate hydrates from density functional theory

    Science.gov (United States)

    Ramya, K. R.; Venkatnathan, Arun

    2013-03-01

    Hydrogen clathrate hydrates are promising sources of clean energy and are known to exist in a sII hydrate lattice, which consists of H2 molecules in dodecahedron (512) and hexakaidecahedron (51264) water cages. The formation of these hydrates which occur in extreme thermodynamic conditions is known to be considerably reduced by an inclusion of tetrahydrofuran (THF) in cages of these hydrate lattice. In this present work, we employ the density functional theory with a dispersion corrected (B97-D) functional to characterize vibrational Raman modes in the cages of pure and THF doped hydrogen clathrate hydrates. Our calculations show that the symmetric stretch of the H2 molecule in the 51264H2.THF cage is blueshifted compared to the 51264H2 cage. However, all vibrational modes of water molecules are redshifted which suggest reduced interaction between the H2 molecule and water molecules in the 51264H2.THF cage. The symmetric and asymmetric O-H stretch of water molecules in 512H2, 51264H2, and 51264H2.THF cages are redshifted compared with the corresponding guest free cages due to interactions between encapsulated H2 molecules and water molecules of the cages. The low frequency modes contain contributions from contraction and expansion of water cages and vibration of water molecules due to hydrogen bonding and these modes could possibly play an important role in the formation of the hydrate lattice.

  5. Stabilizing Optical Path Length On A Vibrating Structure

    Science.gov (United States)

    Spanos, John T.; Rahman, Zahidul H.

    1995-01-01

    Prototype apparatus constructed to test feasibility of feedback control concept for stabilization of length of optical path between two points on vibrating flexible structure. In original intended application, structure is truss having dimensions of order of meters and supports optical components of stellar interferometer. Interferometry and feedback control reduce path-length disturbances. Some aspects of present feedback control concept and prototype apparatus described in "Controllable Optical Delay Line for Stellar Interferometry" (NPO-18686), and "Test Bed for Control of Optical-Path Lengths" (NPO-18487).

  6. Vibrational dynamics (IR, Raman, NRVS) and DFT study of new antitumor tetranuclearstannoxanecluster, Sn(IV)$-$oxo$-${di$-$o$-$vanillin} dimethyl dichloride

    Energy Technology Data Exchange (ETDEWEB)

    Arjmand, F. [Aligarh Muslim Univ., Aligarh (India). Dept. of Chemistry; Sharma, S. [Aligarh Muslim Univ., Aligarh (India). Dept. of Chemistry; Usman, M. [Aligarh Muslim Univ., Aligarh (India). Dept. of Chemistry; Leu, B. M. [Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Hu, M. Y. [Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Toupet, L. [Univ. de Rennes, Rennes (France). Inst. de Physique de Rennes; Gosztola, David J. [Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials; Tabassum, S. [Aligarh Muslim Univ., Aligarh (India). Dept. of Chemistry

    2016-06-21

    The vibrational dynamics of a newly synthesized tetrastannoxane was characterized with a combination of experimental (Raman, IR and tin-based nuclear resonance vibrational spectroscopy) and computational (DFT/B3LYP) methods, with an emphasis on the vibrations of the tin sites. The cytotoxic activity revealed a significant regression selectively against the human pancreatic cell lines.

  7. Adsorption and Vibrational Study of Folic Acid on Gold Nanopillar Structures Using Surface-enhanced Raman Scattering Spectroscopy

    DEFF Research Database (Denmark)

    Castillo, John J.; Rindzevicius, Tomas; Rozo, Ciro E.

    2015-01-01

    on the nanopillars within the high electromagnetic field areas. The adsorption behaviour of folic acid and the band assignment of the main vibrations together with the optimized geometry of folic acid and folic acid in the presence of a cluster of 10 gold atoms were assessed using the density functional theory (B3......This paper presents a study of adsorption and vibrational features of folic acid, using surface-enhanced Raman scattering (SERS). A gold-capped silicon nanopillar (Au NP) with a height of 600 nm and a width of 120 nm was utilized to study the vibrational features of FA molecules adsorbed......LYP(6-31G(d))) and the scalar relativistic effective core potential with a double-zeta basis set (LANL2DZ). The vibrations obtained from the solid-state folic acid and the folic acid on a gold cluster were in accordance with those observed experimentally. The analysis of the main vibrations indicated...

  8. Linear optics, Raman scattering, and spin noise spectroscopy.

    Science.gov (United States)

    Glazov, M M; Zapasskii, V S

    2015-05-04

    Spin noise spectroscopy (SNS) is a new method for studying magnetic resonance and spin dynamics that has gained, in the last several years, a considerable popularity. The method is based on measuring magnetization noise of a paramagnet using the Faraday rotation technique. In strong contrast with methods of nonlinear optics, the spectroscopy of spin noise is considered to be essentially nonperturbative. At the same time, presently, it became clear that the SNS, as an optical technique, demonstrates abilities lying far beyond the bounds of conventional linear optics. Specifically, the SNS allows one to penetrate inside an inhomogeneously broadened absorption band and to determine its homogeneous width, to realize a sort of pump-probe spectroscopy without any optical nonlinearity, to probe a bulk inhomogeneous medium by focal point of a probe beam, etc. This may seem especially puzzling when taken into account that SNS can be considered just as a version of Raman spectroscopy, which is known to be deprived of such abilities. Understanding of these paradoxical features of SNS technique is required for the present-day applications of SNS and its further development. In this paper, we present a general analysis of this apparent inconsistency from the viewpoint of distinction between spectroscopy of the light intensity and of the light field and provide its resolution.

  9. A Review of Hybrid Fiber-Optic Distributed Simultaneous Vibration and Temperature Sensing Technology and Its Geophysical Applications

    Directory of Open Access Journals (Sweden)

    Khalid Miah

    2017-11-01

    Full Text Available Distributed sensing systems can transform an optical fiber cable into an array of sensors, allowing users to detect and monitor multiple physical parameters such as temperature, vibration and strain with fine spatial and temporal resolution over a long distance. Fiber-optic distributed acoustic sensing (DAS and distributed temperature sensing (DTS systems have been developed for various applications with varied spatial resolution, and spectral and sensing range. Rayleigh scattering-based phase optical time domain reflectometry (OTDR for vibration and Raman/Brillouin scattering-based OTDR for temperature and strain measurements have been developed over the past two decades. The key challenge has been to find a methodology that would enable the physical parameters to be determined at any point along the sensing fiber with high sensitivity and spatial resolution, yet within acceptable frequency range for dynamic vibration, and temperature detection. There are many applications, especially in geophysical and mining engineering where simultaneous measurements of vibration and temperature are essential. In this article, recent developments of different hybrid systems for simultaneous vibration, temperature and strain measurements are analyzed based on their operation principles and performance. Then, challenges and limitations of the systems are highlighted for geophysical applications.

  10. Optical properties of a vibrationally modulated solid state Mott insulator.

    Science.gov (United States)

    Kaiser, S; Clark, S R; Nicoletti, D; Cotugno, G; Tobey, R I; Dean, N; Lupi, S; Okamoto, H; Hasegawa, T; Jaksch, D; Cavalleri, A

    2014-01-22

    Optical pulses at THz and mid-infrared frequencies tuned to specific vibrational resonances modulate the lattice along chosen normal mode coordinates. In this way, solids can be switched between competing electronic phases and new states are created. Here, we use vibrational modulation to make electronic interactions (Hubbard-U) in Mott-insulator time dependent. Mid-infrared optical pulses excite localized molecular vibrations in ET-F2TCNQ, a prototypical one-dimensional Mott-insulator. A broadband ultrafast probe interrogates the resulting optical spectrum between THz and visible frequencies. A red-shifted charge-transfer resonance is observed, consistent with a time-averaged reduction of the electronic correlation strength U. Secondly, a sideband manifold inside of the Mott-gap appears, resulting from a periodically modulated U. The response is compared to computations based on a quantum-modulated dynamic Hubbard model. Heuristic fitting suggests asymmetric holon-doublon coupling to the molecules and that electron double-occupancies strongly squeeze the vibrational mode.

  11. Vibrational optical activity of chiral carbon nanoclusters treated by a generalized π-electron method

    Science.gov (United States)

    Nagy, Péter R.; Surján, Péter R.; Szabados, Ágnes

    2014-01-01

    Cross sections of inelastic light scattering accompanied by vibronic excitation in large conjugated carbon structures is assessed at the π-electron level. Intensities of Raman and vibrational Raman optical activity (VROA) spectra of fullerenes are computed, relying on a single electron per atom. When considering only first neighbor terms in the Hamiltonian (a tight-binding (TB) type or Hückel-model), Raman intensities are captured remarkably well, based on comparison with frequency-dependent linear response of the self-consistent field (SCF) method. Resorting to π-electron levels when computing spectral intensities brings a beneficial reduction in computational cost as compared to linear response SCF. At difference with total intensities, the first neighbor TB model is found inadequate for giving the left and right circularly polarized components of the scattered light, especially when the molecular surface is highly curved. To step beyond first neighbor approximation, an effective π-electron Hamiltonian, including interaction of all sites is derived from the all-electron Fockian, in the spirit of the Bloch-equation. Chiroptical cross-sections computed by this novel π-electron method improve upon first-neighbor TB considerably, with no increase in computational cost. Computed VROA spectra of chiral fullerenes, such as C76 and C28, are reported for the first time, both by conventional linear response SCF and effective π-electron models.

  12. Structural and vibrational characterization of sugar arabinitol structures employing micro-Raman spectra and DFT calculations

    Science.gov (United States)

    Hédoux, Alain; Guinet, Yannick; Carpentier, Laurent; Paccou, Laurent; Derollez, Patrick; Brandán, Silvia Antonia

    2017-06-01

    In this work, three monomeric forms of arabinitol, usually named arabitol, and their dimeric species have been structural and vibrationally studied by using the micro-Raman spectra in the solid phase accomplished with theoretical calculations based on the theory of the functional of the density (DFT). The hybrid B3LYP method was used for all the calculations together with the 6-31G* and 6-311++g** basis sets. Two different L structures with minima energies were predicted in accordance to the two polymorphic structures revealed by recent X-ray diffraction experiments. The studies by natural bond orbital (NBO) calculations reveals high stabilities of the L form as compared with the D one but the topological properties by using the atoms in molecules (AIM) suggest a higher stability of the D form due to a strong H bond interactions. The scaled mechanical force fields (SQMFF) procedure was used to perform the complete vibrational assignments for the monomeric forms and their dimer. On the other hand, the similarity in the gap values computed for the three forms of arabitol with those observed for sucrose, trehalose, maltose and lactose in gas phase at the same level of theory could partially explain the sweetening property of this alcohol. In addition, the influences of the size of the basis set on some properties were evidenced.

  13. Surface-Enhanced Raman Optical Data Storage system

    Science.gov (United States)

    Vo-Dinh, T.

    1994-06-28

    An improved Surface-Enhanced Raman Optical Data Storage System (SERODS) is disclosed. In the improved system, entities capable of existing in multiple reversible states are present on the storage device. Such entities result in changed Surface-Enhanced Raman Scattering (SERS) when localized state changes are effected in less than all of the entities. Therefore, by changing the state of entities in localized regions of a storage device, the SERS emissions in such regions will be changed. When a write-on device is controlled by a data signal, such a localized regions of changed SERS emissions will correspond to the data written on the device. The data may be read by illuminating the surface of the storage device with electromagnetic radiation of an appropriate frequency and detecting the corresponding SERS emissions. Data may be deleted by reversing the state changes of entities in regions where the data was initially written. In application, entities may be individual molecules which allows for the writing of data at the molecular level. A read/write/delete head utilizing near-field quantum techniques can provide for a write/read/delete device capable of effecting state changes in individual molecules, thus providing for the effective storage of data at the molecular level. 18 figures.

  14. Raman Probe Based on Optically-Poled Double-Core Fiber

    DEFF Research Database (Denmark)

    Brunetti, Anna Chiara; Margulis, Walter; Rottwitt, Karsten

    2012-01-01

    A Raman probe based on an optically-poled double-core fiber. In-fiber SHG allows for Raman spectroscopy of DMSO at 532nm when illuminating the fiber with 1064nm light. The fiber structure provides independent excitation and collection paths.......A Raman probe based on an optically-poled double-core fiber. In-fiber SHG allows for Raman spectroscopy of DMSO at 532nm when illuminating the fiber with 1064nm light. The fiber structure provides independent excitation and collection paths....

  15. Non-linear optical crystal vibration sensing device

    Energy Technology Data Exchange (ETDEWEB)

    Kalibjian, R.

    1992-12-31

    The report describes a non-linear optical crystal vibration sensing device including a photorefractive crystal and a laser. The laser produces a coherent light beam which is split by a beam splitter into a first laser beam and a second laser beam. After passing through the crystal the first laser beam is counter-propagated back upon itself by a retro-mirror, creating a third laser beam . The laser beams are modulated, due to the mixing effect within the crystal by vibration of the crystal. In the third laser beam modulation is stable and such modulation is converted by a photodetector into a usable electrical output, intensity modulated in accordance with vibration applied to the crystal.

  16. Non-linear optical crystal vibration sensing device

    Science.gov (United States)

    Kalibjian, R.

    1994-08-09

    A non-linear optical crystal vibration sensing device including a photorefractive crystal and a laser is disclosed. The laser produces a coherent light beam which is split by a beam splitter into a first laser beam and a second laser beam. After passing through the crystal the first laser beam is counter-propagated back upon itself by a retro-mirror, creating a third laser beam. The laser beams are modulated, due to the mixing effect within the crystal by vibration of the crystal. In the third laser beam, modulation is stable and such modulation is converted by a photodetector into a usable electrical output, intensity modulated in accordance with vibration applied to the crystal. 3 figs.

  17. Optical measurements of long-range protein vibrations

    Science.gov (United States)

    Acbas, Gheorghe; Niessen, Katherine A.; Snell, Edward H.; Markelz, A. G.

    2014-01-01

    Protein biological function depends on structural flexibility and change. From cellular communication through membrane ion channels to oxygen uptake and delivery by haemoglobin, structural changes are critical. It has been suggested that vibrations that extend through the protein play a crucial role in controlling these structural changes. While nature may utilize such long-range vibrations for optimization of biological processes, bench-top characterization of these extended structural motions for engineered biochemistry has been elusive. Here we show the first optical observation of long-range protein vibrational modes. This is achieved by orientation-sensitive terahertz near-field microscopy measurements of chicken egg white lysozyme single crystals. Underdamped modes are found to exist for frequencies >10 cm-1. The existence of these persisting motions indicates that damping and intermode coupling are weaker than previously assumed. The methodology developed permits protein engineering based on dynamical network optimization.

  18. Dual-modal cancer detection based on optical pH sensing and Raman spectroscopy.

    Science.gov (United States)

    Kim, Soogeun; Lee, Seung Ho; Min, Sun Young; Byun, Kyung Min; Lee, Soo Yeol

    2017-10-01

    A dual-modal approach using Raman spectroscopy and optical pH sensing was investigated to discriminate between normal and cancerous tissues. Raman spectroscopy has demonstrated the potential for in vivo cancer detection. However, Raman spectroscopy has suffered from strong fluorescence background of biological samples and subtle spectral differences between normal and disease tissues. To overcome those issues, pH sensing is adopted to Raman spectroscopy as a dual-modal approach. Based on the fact that the pH level in cancerous tissues is lower than that in normal tissues due to insufficient vasculature formation, the dual-modal approach combining the chemical information of Raman spectrum and the metabolic information of pH level can improve the specificity of cancer diagnosis. From human breast tissue samples, Raman spectra and pH levels are measured using fiber-optic-based Raman and pH probes, respectively. The pH sensing is based on the dependence of pH level on optical transmission spectrum. Multivariate statistical analysis is performed to evaluate the classification capability of the dual-modal method. The analytical results show that the dual-modal method based on Raman spectroscopy and optical pH sensing can improve the performance of cancer classification. (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

  19. Vibrational frequency analysis, FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on pycolinaldehyde oxime

    Science.gov (United States)

    Suvitha, A.; Periandy, S.; Boomadevi, S.; Govindarajan, M.

    2014-01-01

    In this work, the vibrational spectral analysis is carried out by using Raman and infrared spectroscopy in the range 100-4000 cm-1and 50-4000 cm-1, respectively, for pycolinaldehyde oxime (PAO) (C6H6N2O) molecule. The vibrational frequencies have been calculated and scaled values are compared with experimental FT-IR and FT-Raman spectra. The structure optimizations and normal coordinate force field calculations are based on HF and B3LYP methods with 6-311++G(d,p) basis set. The results of the calculation shows excellent agreement between experimental and calculated frequencies in B3LYP/6-311++G(d,p) basis set. The optimized geometric parameters are compared with experimental values of PAO. The non linear optical properties, NBO analysis, thermodynamics properties and mulliken charges of the title molecule are also calculated and interpreted. A study on the electronic properties, such as HOMO and LUMO energies, are performed by time-dependent DFT (TD-DFT) approach. Besides, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP) are performed. The effects due to the substitutions of CHdbnd NOH ring are investigated. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule are calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results.

  20. A New Methodology for Vibration Error Compensation of Optical Encoders

    OpenAIRE

    Mariano Artes; Jesus Lopez

    2012-01-01

    Optical encoders are sensors based on grating interference patterns. Tolerances inherent to the manufacturing process can induce errors in the position accuracy as the measurement signals stand apart from the ideal conditions. In case the encoder is working under vibrations, the oscillating movement of the scanning head is registered by the encoder system as a displacement, introducing an error into the counter to be added up to graduation, system and installation errors. Behavior improvement...

  1. Recent progress in distributed optical fiber Raman photon sensors at China Jiliang University

    Science.gov (United States)

    Zhang, Zaixuan; Wang, Jianfeng; Li, Yi; Gong, Huaping; Yu, Xiangdong; Liu, Honglin; Jin, Yongxing; Kang, Juan; Li, Chenxia; Zhang, Wensheng; Zhang, Wenping; Niu, Xiaohui; Sun, Zhongzhou; Zhao, Chunliu; Dong, Xinyong; Jin, Shangzhong

    2012-06-01

    A brief review of recent progress in researches, productions and applications of full distributed fiber Raman photon sensors at China Jiliang University (CJLU) is presented. In order to improve the measurement distance, the accuracy, the space resolution, the ability of multi-parameter measurements, and the intelligence of full distributed fiber sensor systems, a new generation fiber sensor technology based on the optical fiber nonlinear scattering fusion principle is proposed. A series of new generation full distributed fiber sensors are investigated and designed, which consist of new generation ultra-long distance full distributed fiber Raman and Rayleigh scattering photon sensors integrated with a fiber Raman amplifier, auto-correction full distributed fiber Raman photon temperature sensors based on Raman correlation dual sources, full distributed fiber Raman photon temperature sensors based on a pulse coding source, full distributed fiber Raman photon temperature sensors using a fiber Raman wavelength shifter, a new type of Brillouin optical time domain analyzers (BOTDAs) integrated with a fiber Raman amplifier for replacing a fiber Brillouin amplifier, full distributed fiber Raman and Brillouin photon sensors integrated with a fiber Raman amplifier, and full distributed fiber Brillouin photon sensors integrated with a fiber Brillouin frequency shifter. The Internet of things is believed as one of candidates of the next technological revolution, which has driven hundreds of millions of class markets. Sensor networks are important components of the Internet of things. The full distributed optical fiber sensor network (Rayleigh, Raman, and Brillouin scattering) is a 3S (smart materials, smart structure, and smart skill) system, which is easy to construct smart fiber sensor networks. The distributed optical fiber sensor can be embedded in the power grids, railways, bridges, tunnels, roads, constructions, water supply systems, dams, oil and gas pipelines and other

  2. Raman probes based on optically-poled double-clad fiber and coupler

    DEFF Research Database (Denmark)

    Brunetti, Anna Chiara; Margulis, Walter; Rottwitt, Karsten

    2012-01-01

    Two fiber Raman probes are presented, one based on an optically-poled double-clad fiber and the second based on an optically-poled double-clad fiber coupler respectively. Optical poling of the core of the fiber allows for the generation of enough 532nm light to perform Raman spectroscopy...... of a sample of dimethyl sulfoxide (DMSO), when illuminating the waveguide with 1064nm laser light. The Raman signal is collected in the inner cladding, from which it is retrieved with either a bulk dichroic mirror or a double-clad fiber coupler. The coupler allows for a substantial reduction of the fiber...

  3. Controlling cross pumping between C-N and C-H vibration in nitromethane by selective fluorescence-enhanced stimulated Raman scattering

    National Research Council Canada - National Science Library

    Wang, Shenghan; Fang, Wenhui; Li, Tianyu; Li, Fangfang; Sun, Chenglin; Li, Zuowei; Men, Zhiwei

    2016-01-01

    To investigate the vibrational features of nitromethane (NM), which is a kind of energy material and a well known low-sensitivity and high explosive, experiments are performed to obtain the stimulated Raman scattering (SRS...

  4. Vibrational properties of epitaxial Bi{sub 4}Te{sub 3} films as studied by Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Hao; Pan, Wenwu; Chen, Qimiao; Wu, Xiaoyan [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, 865 Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A Yuquan Road, Beijing 100049 (China); Song, Yuxin, E-mail: songyuxin@mail.sim.ac.cn, E-mail: shumin@chalmers.se; Gong, Qian [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, 865 Changning Road, Shanghai 200050 (China); Lu, Pengfei [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Wang, Shumin, E-mail: songyuxin@mail.sim.ac.cn, E-mail: shumin@chalmers.se [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, 865 Changning Road, Shanghai 200050 (China); Department of Microtechnology and Nanoscience, Chalmers University of Technology, 41296 Gothenburg (Sweden)

    2015-08-15

    Bi{sub 4}Te{sub 3}, as one of the phases of the binary Bi–Te system, shares many similarities with Bi{sub 2}Te{sub 3}, which is known as a topological insulator and thermoelectric material. We report the micro-Raman spectroscopy study of 50 nm Bi{sub 4}Te{sub 3} films on Si substrates prepared by molecular beam epitaxy. Raman spectra of Bi{sub 4}Te{sub 3} films completely resolve the six predicted Raman-active phonon modes for the first time. Structural features and Raman tensors of Bi{sub 4}Te{sub 3} films are introduced. According to the wavenumbers and assignments of the six eigenpeaks in the Raman spectra of Bi{sub 4}Te{sub 3} films, it is found that the Raman-active phonon oscillations in Bi{sub 4}Te{sub 3} films exhibit the vibrational properties of those in both Bi and Bi{sub 2}Te{sub 3} films.

  5. A low background Raman probe for optical biopsy of brain tissue

    Science.gov (United States)

    Stevens, Oliver A. C.; Hutchings, Joanne; Gray, William; Day, John C.

    2014-03-01

    Removal of intrinsic brain tumours is a delicate process, where a high degree of specificity is required to remove all of the tumour tissue without damaging healthy brain. The accuracy of this process can be greatly enhanced by intraoperative guidance. Optical biopsies using Raman spectroscopy are a minimally invasive and lower cost alternative to current guidance methods. A miniature Raman probe for performing optical biopsies of human brain tissue is presented. The probe allows sampling inside a conventional stereotactic brain biopsy system: a needle of length 200mm and inner diameter of 1.8mm. The probe achieves a very low fluorescent background whilst maintaining good collection of Raman signal by employing a miniature stand-off Raman design. To illustrate this, the probe is compared with a Raman probe that uses a pair of optical fibres for collection. The miniature stand-off Raman probe is shown to collect a comparable number of Raman scattered photons, but the fluorescence caused by silica fibres in a Raman needle probe is reduced by a factor of two for Raman shifts under 500 cm-1, and by 30% at 600-700 cm-1. In addition, this design contains only medically approved materials at the distal end. The probe's suitability for use on tissue is demonstrated by discriminating between different types of porcine brain tissue.

  6. Raman spectra of vibrational and librational modes in methane clathrate hydrates using density functional theory

    Science.gov (United States)

    Ramya, K. R.; Pavan Kumar, G. V.; Venkatnathan, Arun

    2012-05-01

    The sI type methane clathrate hydrate lattice is formed during the process of nucleation where methane gas molecules are encapsulated in the form of dodecahedron (512CH4) and tetrakaidecahedron (51262CH4) water cages. The characterization of change in the vibrational modes which occur on the encapsulation of CH4 in these cages plays a key role in understanding the formation of these cages and subsequent growth to form the hydrate lattice. In this present work, we have chosen the density functional theory (DFT) using the dispersion corrected B97-D functional to characterize the Raman frequency vibrational modes of CH4 and surrounding water molecules in these cages. The symmetric and asymmetric C-H stretch in the 512CH4 cage is found to shift to higher frequency due to dispersion interaction of the encapsulated CH4 molecule with the water molecules of the cages. However, the symmetric and asymmetric O-H stretch of water molecules in 512CH4 and 51262CH4 cages are shifted towards lower frequency due to hydrogen bonding, and interactions with the encapsulated CH4 molecules. The CH4 bending modes in the 512CH4 and 51262CH4 cages are blueshifted, though the magnitude of the shifts is lower compared to modes in the high frequency region which suggests bending modes are less affected on encapsulation of CH4. The low frequency librational modes which are collective motion of the water molecules and CH4 in these cages show a broad range of frequencies which suggests that these modes largely contribute to the formation of the hydrate lattice.

  7. Dual-modal cancer detection based on optical pH sensing and Raman spectroscopy

    Science.gov (United States)

    Kim, Soogeun; Lee, Seung Ho; Min, Sun Young; Byun, Kyung Min; Lee, Soo Yeol

    2017-10-01

    A dual-modal approach using Raman spectroscopy and optical pH sensing was investigated to discriminate between normal and cancerous tissues. Raman spectroscopy has demonstrated the potential for in vivo cancer detection. However, Raman spectroscopy has suffered from strong fluorescence background of biological samples and subtle spectral differences between normal and disease tissues. To overcome those issues, pH sensing is adopted to Raman spectroscopy as a dual-modal approach. Based on the fact that the pH level in cancerous tissues is lower than that in normal tissues due to insufficient vasculature formation, the dual-modal approach combining the chemical information of Raman spectrum and the metabolic information of pH level can improve the specificity of cancer diagnosis. From human breast tissue samples, Raman spectra and pH levels are measured using fiber-optic-based Raman and pH probes, respectively. The pH sensing is based on the dependence of pH level on optical transmission spectrum. Multivariate statistical analysis is performed to evaluate the classification capability of the dual-modal method. The analytical results show that the dual-modal method based on Raman spectroscopy and optical pH sensing can improve the performance of cancer classification.

  8. Resonance surface enhanced Raman optical activity of myoglobin as a result of optimized resonance surface enhanced Raman scattering conditions

    DEFF Research Database (Denmark)

    Abdali, Salim; Johannessen, Christian; Nygaard, Jesper

    2007-01-01

    Using Surface enhanced ROA (SEROA), novel results are achieved by combining Raman Optical Activity (ROA) and resonance Surface Enhanced Raman Scattering (SERRS), applied on myoglobin. The novelty of this work is ascribed the first time reporting on chiral results of a study performed on a protein...... has shown that the SERS effect behaves consequently, depending on the concentration ratio of each component, i.e., myoglobin, Ag colloids and NaCl. Accordingly, it is shown here that SERS intensity has its maximum at certain concentration of these components, whereas below or above this value...

  9. Experimental Raman and IR spectral and theoretical studies of vibrational spectrum and molecular structure of Pantothenic acid (vitamin B5)

    Science.gov (United States)

    Srivastava, Mayuri; Singh, N. P.; Yadav, R. A.

    2014-08-01

    Vibrational spectrum of Pantothenic acid has been investigated using experimental IR and Raman spectroscopies and density functional theory methods available with the Gaussian 09 software. Vibrational assignments of the observed IR and Raman bands have been proposed in light of the results obtained from computations. In order to assign the observed IR and Raman frequencies the potential energy distributions (PEDs) have also been computed using GAR2PED software. Optimized geometrical parameters suggest that the overall symmetry of the molecule is C1. The molecule is found to possess eight conformations. Conformational analysis was carried out to obtain the most stable configuration of the molecule. In the present paper the vibrational features of the lowest energy conformer C-I have been studied. The two methyl groups have slightly distorted symmetries from C3V. The acidic Osbnd H bond is found to be the smallest one. To investigate molecular stability and bond strength we have used natural bond orbital analysis (NBO). Charge transfer occurs in the molecule have been shown by the calculated highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energies. The mapping of electron density iso-surface with electrostatic potential (ESP), has been carried out to get the information about the size, shape, charge density distribution and site of chemical reactivity of the molecule.

  10. Single Molecule Instrument for Surface Enhanced Raman Optical Activity of Biomolecules Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Stereochemistry is an essential element of our organic life. Only certain enantiomers are useful as drugs for the human body. Raman optical activity (ROA) provides...

  11. Single Molecule Instrument for Surface Enhanced Raman Optical Activity of Biomolecules Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Stereochemistry is an essential element of our organic life. Only certain enantiomers are useful as drugs for the human body. Raman Optical Activity (ROA) and...

  12. Impact of input field characteristics on vibrational femtosecond coherent anti-Stokes Raman scattering thermometry.

    Science.gov (United States)

    Yang, Chao-Bo; He, Ping; Escofet-Martin, David; Peng, Jiang-Bo; Fan, Rong-Wei; Yu, Xin; Dunn-Rankin, Derek

    2018-01-10

    In this paper, three ultrashort-pulse coherent anti-Stokes Raman scattering (CARS) thermometry approaches are summarized with a theoretical time-domain model. The difference between the approaches can be attributed to variations in the input field characteristics of the time-domain model. That is, all three approaches of ultrashort-pulse (CARS) thermometry can be simulated with the unified model by only changing the input fields features. As a specific example, the hybrid femtosecond/picosecond CARS is assessed for its use in combustion flow diagnostics; thus, the examination of the input field has an impact on thermometry focuses on vibrational hybrid femtosecond/picosecond CARS. Beginning with the general model of ultrashort-pulse CARS, the spectra with different input field parameters are simulated. To analyze the temperature measurement error brought by the input field impacts, the spectra are fitted and compared to fits, with the model neglecting the influence introduced by the input fields. The results demonstrate that, however the input pulses are depicted, temperature errors still would be introduced during an experiment. With proper field characterization, however, the significance of the error can be reduced.

  13. Electronically tunable coherent Raman spectroscopy using acousto-optics tunable filter.

    Science.gov (United States)

    Petrov, Georgi I; Meng, Zhaokai; Yakovlev, Vladislav V

    2015-09-21

    Fast and sensitive Raman spectroscopy measurements are imperative for a large number of applications in biomedical imaging, remote sensing and material characterization. In this report, by introducing an electronically-tunable acousto-optical filter as a wavelength selector, we demonstrated a novel instrumentation to the broadband coherent Raman spectroscopy. System's tunability allows assessing Raman transitions ranging from <400 cm(-1) to 4500 cm(-1). We validated the use of the new instrumentation by collecting coherent anti-Stokes spectra and stimulated Raman spectra of various samples.

  14. SBIR Grant:No-Vibration Agile Cryogenic Optical Refrigerator

    Energy Technology Data Exchange (ETDEWEB)

    Epstein, Richard

    2013-04-09

    Optical refrigeration is currently the only all-solid-state cryocooling technology that has been demonstrated. Optical cryocoolers are devices that use laser light to cool small crystal or glass cooling elements. The cooling element absorbs the laser light and reradiates it at higher energy, an example of anti-Stokes fluorescence. The dif-ference between the energy of the outgoing and incoming light comes from the thermal energy of the cooling element, which in turn becomes colder. Entitled No-Vibration Agile Cryocoolers using Optical Refrigeration, this Phase I proposal directly addressed the continued development of the optical refrigerator components necessary to transition this scientific breakthrough into National Nu-clear Security Administration (NNSA) sensor applications in line with the objectives of topic 50b. ThermoDynamic Films LLC (TDF), in collaboration with the University of New Mexico (UNM), cooled an optical-refrigerator cooling element comprised of an ytterbium-doped yttrium lithium fluoride (Yb:YLF) crystal from room tempera-ture to 123 K with about 2% efficiency. This is the world record in optical refrigera-tion and an important step toward revolutionizing cryogenic systems for sensor ap-plications. During this period, they also designed and analyzed the crucial elements of a prototype optical refrigerator including the thermal link that connects the cool-ing element with the load.

  15. A new methodology for vibration error compensation of optical encoders.

    Science.gov (United States)

    Lopez, Jesus; Artes, Mariano

    2012-01-01

    Optical encoders are sensors based on grating interference patterns. Tolerances inherent to the manufacturing process can induce errors in the position accuracy as the measurement signals stand apart from the ideal conditions. In case the encoder is working under vibrations, the oscillating movement of the scanning head is registered by the encoder system as a displacement, introducing an error into the counter to be added up to graduation, system and installation errors. Behavior improvement can be based on different techniques trying to compensate the error from measurement signals processing. In this work a new "ad hoc" methodology is presented to compensate the error of the encoder when is working under the influence of vibration. The methodology is based on fitting techniques to the Lissajous figure of the deteriorated measurement signals and the use of a look up table, giving as a result a compensation procedure in which a higher accuracy of the sensor is obtained.

  16. A New Methodology for Vibration Error Compensation of Optical Encoders

    Directory of Open Access Journals (Sweden)

    Mariano Artes

    2012-04-01

    Full Text Available Optical encoders are sensors based on grating interference patterns. Tolerances inherent to the manufacturing process can induce errors in the position accuracy as the measurement signals stand apart from the ideal conditions. In case the encoder is working under vibrations, the oscillating movement of the scanning head is registered by the encoder system as a displacement, introducing an error into the counter to be added up to graduation, system and installation errors. Behavior improvement can be based on different techniques trying to compensate the error from measurement signals processing. In this work a new “ad hoc” methodology is presented to compensate the error of the encoder when is working under the influence of vibration. The methodology is based on fitting techniques to the Lissajous figure of the deteriorated measurement signals and the use of a look up table, giving as a result a compensation procedure in which a higher accuracy of the sensor is obtained.

  17. Identification of Multiple Water-Iodide Species in Concentrated NaI Solutions Based on the Raman Bending Vibration of Water

    NARCIS (Netherlands)

    Besemer, M.; Bloemenkamp, R.; Ariese, F.; van Manen, H.J.

    2016-01-01

    The influence of aqueous electrolytes on the water bending vibration was studied with Raman spectroscopy. For all salts investigated (NaI, NaBr, NaCl, and NaSCN), we observed a nonlinear intensity increase of the water bending vibration with increasing concentration. Different lasers and a tunable

  18. A study of the eigenvectors of the low-frequency vibrational modes in crystalline adenosine via high pressure Raman spectroscopy.

    Science.gov (United States)

    Lee, Scott A; Pinnick, David A; Anderson, A

    2014-12-01

    High-pressure Raman spectroscopy has been used to study the eigenvectors and eigenvalues of the vibrational modes of crystalline adenosine at 295 K by evaluating the logarithmic derivative of the vibrational frequency with respect to pressure: [Formula: see text]. Crystalline samples of molecular materials such as adenosine will have vibrational modes that are localized within a molecular unit ("internal" modes) as well as modes in which the molecular units vibrate against each other ("external" modes). The value of the logarithmic derivative is found to be a diagnostic probe of the nature of the eigenvector of the vibrational modes. Stretching modes which are predominantly internal to the molecule have low logarithmic derivatives while external modes have higher logarithmic derivatives. Particular interest is paid to the low-frequency (≤150 cm(-1)) modes. Based on the pressure dependence of its logarithmic derivative, a mode near 49 cm(-1) is identified as internal mode. The other modes below 400 cm(-1) have pressure dependences of their logarithmic derivatives consistent with being either (1) modes which are mainly external, meaning that the molecules of the unit cell vibrate against each other in translational or librational motions (or linear combinations thereof), or (2) torsional or bending modes involving a large number of atoms, mainly within a molecule. The modes above 400 cm(-1) all have pressure dependences of their logarithmic derivatives consistent with being mainly internal modes.

  19. Raman spectroscopy for optical diagnosis of laryngeal cancer

    Science.gov (United States)

    Teh, Seng Khoon; Zheng, Wei; Lau, David P.; Huang, Zhiwei

    2008-02-01

    In this report, the diagnostic ability of near-infrared (NIR) Raman spectroscopy for identifying the malignant tumors from normal tissues in the larynx was studied. A rapid NIR Raman system was utilized. Multivariate statistical techniques were employed to develop effective diagnostic algorithms. Raman spectra in the range of 800-1,800 cm-1 differed significantly between normal and malignant tumor tissues. The diagnostic algorithms can yielded a diagnostic sensitivity of 92.9% and specificity 83.3% for separating malignant tumors from normal laryngeal tissues. NIR Raman spectroscopy with multivariate statistical techniques has a potential for the non-invasive detection of malignant tumors in the larynx.

  20. Anomalous vibrational modes in few layer WTe2 revealed by polarized Raman scattering and first-principles calculations

    Science.gov (United States)

    Cao, Yan; Sheremetyeva, Natalya; Liang, Liangbo; Yuan, Hui; Zhong, Tingting; Meunier, Vincent; Pan, Minghu

    2017-09-01

    When layered transition-metal dichalcogenides (TMDs) are scaled down from a three- to a 2D geometry, electronic and structural transitions occur, leading to the emergence of properties not usually found in the bulk. Here, we report a systematic Raman study of exfoliated semi-metallic WTe2 flakes with thickness ranging from few layers down to a single layer. A dramatic change in the Raman spectra occurs between the monolayer and few-layer WTe2 as a vibrational mode centered at ~86.9 cm-1 in the monolayer splits into two active modes at 82.9 and 89.6 cm-1 in the bilayer. Davydov splitting of these two modes is found in the bilayer, as further evidenced by polarized Raman measurements. Strong angular dependence of Raman modes on the WTe2 film thickness reflects that the existence of directional interlayer interaction, rather than isotropic van der Waals (vdw) coupling, is playing an essential role affecting the phonon modes, especially in anisotropic 2D WTe2 material. Therefore, the strong evolution of Raman modes with thickness and polarization direction, can not only be a reliable fingerprint for the determination of the thickness and the crystallographic orientation, but can also be an ideal probe for such strong and directional interlayer interaction.

  1. Cell identification using Raman spectroscopy in combination with optical trapping and microfluidics

    Science.gov (United States)

    Krafft, Christoph; Dochow, Sebastian; Beleites, Claudia; Popp, Jürgen

    2014-03-01

    Cell identification by Raman spectroscopy has evolved to be an attractive complement to established optical techniques. Raman activated cell sorting (RACS) offers prospects to complement the widely applied fluorescence activated cell sorting. RACS can be realized by combination with optical traps and microfluidic devices. The progress of RACS is reported for a cellular model system that can be found in peripheral blood of tumor patients. Lymphocytes and erythrocytes were extracted from blood samples. Breast carcinoma derived tumor cells (MCF-7, BT-20) and acute myeloid leukemia cells (OCI-AML3) were grown in cell cultures. First, Raman images were collected from dried cells on calcium fluoride slides. Support vector machines (SVM) classified 99.7% of the spectra to the correct cell type. Second, a 785 nm laser was used for optical trapping of single cells in aqueous buffer and for excitation of the Raman spectrum. SVM distinguished 1210 spectra of tumor and normal cells with a sensitivity of >99.7% and a specificity of >99.5%. Third, a microfluidic glass chip was designed to inject single cells, modify the flow speed, accommodate fibers of an optical trap and sort single cells after Raman based identification with 514 nm for excitation. Forth, the microfluidic chip was fabricated by quartz which improved cell identification results with 785 nm excitation. Here, partial least squares discriminant analysis gave classification rates of 98%. Finally, a Raman-on-chip approach was developed that integrates fibers for trapping, Raman excitation and signal detection in a single compact unit.

  2. Optical fiber sensors for measurement strain and vibration

    Science.gov (United States)

    Mikel, Bretislav; Helan, Radek; Buchta, Zdenek; Holík, Milan; Jelinek, Michal; Cip, Ondrej

    2015-01-01

    We present optical fiber sensors to measurement strain and vibration. The sensors are based on fiber Bragg gratings (FBG). We prepared construction of strain sensors with respect to its implementation on the outer surface of concrete structures and with compensation of potential temperature drifts. These sensors are projected with look forward to maximal elongation and strength which can be applied to the sensor. Each sensor contains two optical fibers with FBGs. One FBG is glued into the sensor in points of fixation which are in the line with mounting holes. This FBG is prestressed to half of measurement range, than the stretching and pressing can be measured simultaneously by one FBG. The second FBG is placed inside the sensor without fixation to measure temperature drifts. The sensor can be used to structure health monitoring. The sensors to measurement vibration are based on tilted fiber Bragg grating (TFBG) with fiber taper. The sensor uses the TFBG as a cladding modes reflector and fiber taper as a bend-sensitive recoupling member. The lower cladding modes (ghost), reflected from TFBG, is recoupled back into the fiber core via tapered fiber section. We focused on optimization of TFBG tilt angle to reach maximum reflection of the ghost and taper parameters. In this article we present complete set-up, optical and mechanical parameters of both types of sensors.

  3. Optical clearing of porcine skin tissue in vitro studied by Raman microspectroscopy

    Science.gov (United States)

    Huang, Deqiu; Zhang, Wen; Zhong, Huiqing; Xiong, Honglian; Guo, Xi; Guo, Zhouyi

    2012-01-01

    In present work, we studied the effect of optical clearing on porcine skin in vitro with glycerol by Raman microspectroscopy, denoted as RM, at various time intervals of 0, 15, 30, 45, 60, and 75 min respectively. The results showed that the addition of glycerol significantly improved the depth of RM measurement, and enhanced the recovery of skin tissue Raman spectra that were not overlapped with the glycerol Raman spectra over time. Moreover, it was found that the Raman signals resembled the native spectrum of the molecules in porcine skin with a negligible frequency shift. Furthermore, we evaluated the extent of optical clearing in porcine skin by utilizing various concentrations of 40%, 60%, and 80% glycerol solution. The results demonstrated that with the increase of concentration of glycerol, the optical clearing of porcine skin was much improved.

  4. Thermal, vibrational spectra and photoluminescence properties of the nonlinear optical material MnTeMoO6

    Science.gov (United States)

    Jin, Chengguo; Shao, Juxiang; Li, Zhen; Yang, Junsheng; Cao, Qilong; Huang, Duohui; Wan, Mingjie; Wang, Fanhou

    2015-04-01

    MnTeMoO6 is a novel nonlinear optical material in near-mid-IR region. Vibrational spectra characterization, thermal and photoluminescent properties of polycrystalline MnTeMoO6 have been investigated in this work. The results show that polycrystalline MnTeMoO6 has a relatively high melting point at 725.2 °C and exhibits superheating of crystal. The observed Raman and IR bands of MnTeMoO6 are assigned to vibrations of the Mn-O bonds, MoO4 tetrahedra, and TeO4 polyhedra. Photoluminescence measurements show that MnTeMoO6 displays a strong emission peak at 467 nm under excitation at 280 nm, and the absorption band at 0.47-0.52 μm in UV-vis spectra may be caused by photoluminescence.

  5. Optical characterization of pure vegetable oils and their biodiesels using Raman spectroscopy

    Science.gov (United States)

    Firdous, S.; Anwar, S.; Waheed, A.; Maraj, M.

    2016-04-01

    Great concern regarding energy resources and environmental polution has increased interest in the study of alternative sources of energy. Biodiesels as an alternative fuel provide a suitable diesel oil substitute for internal combustion engines. The Raman spectra of pure biodiesels of soybean oil, olive oil, coconut oil, animal fats, and petroleum diesel are optically characterized for quality and biofuel as an alternative fuel. The most significant spectral differences are observed in the frequency range around 1457 cm-1 for pure petroleum diesel, 1427 for fats biodiesel, 1670 cm-1 for pure soybean oil, 1461 cm-1 for soybean oil based biodiesel, 1670 cm-1 for pure olive oil, 1666 cm-1 for olive oil based biodiesel, 1461 cm-1 for pure coconut oil, and 1460 cm-1 for coconut oil based biodiesel, which is used for the analysis of the phase composition of oils. A diode pump solid-state laser with a 532 nm wavelength is used as an illuminating light. It is demonstrated that the peak positions and relative intensities of the vibrations of the oils can be used to identify the biodiesel quality for being used as biofuel.

  6. Long-range vibration sensor based on correlation analysis of optical frequency-domain reflectometry signals.

    Science.gov (United States)

    Ding, Zhenyang; Yao, X Steve; Liu, Tiegen; Du, Yang; Liu, Kun; Han, Qun; Meng, Zhuo; Chen, Hongxin

    2012-12-17

    We present a novel method to achieve a space-resolved long- range vibration detection system based on the correlation analysis of the optical frequency-domain reflectometry (OFDR) signals. By performing two separate measurements of the vibrated and non-vibrated states on a test fiber, the vibration frequency and position of a vibration event can be obtained by analyzing the cross-correlation between beat signals of the vibrated and non-vibrated states in a spatial domain, where the beat signals are generated from interferences between local Rayleigh backscattering signals of the test fiber and local light oscillator. Using the proposed technique, we constructed a standard single-mode fiber based vibration sensor that can have a dynamic range of 12 km and a measurable vibration frequency up to 2 kHz with a spatial resolution of 5 m. Moreover, preliminarily investigation results of two vibration events located at different positions along the test fiber are also reported.

  7. Spinning optical resonator sensor for torsional vibrational applications measurements

    Science.gov (United States)

    Ali, Amir R.; Gatherer, Andrew; Ibrahim, Mariam S.

    2016-03-01

    Spinning spherical resonators in the torsional vibrational applications could cause a shift in its whispering gallery mode (WGM). The centripetal force acting on the spinning micro sphere resonator will leads to these WGM shifts. An analysis and experiment were carried out in this paper to investigate and demonstrate this effect using different polymeric resonators. In this experiment, centripetal force exerted by the DC-Motor on the sphere induces an elastic deformation of the resonator. This in turn induces a shift in the whispering gallery modes of the sphere resonator. Materials used for the sphere are polydimethylsiloxane (PDMS 60:1 where 60 parts base silicon elastomer to 1 part polymer curing agent by volume) with shear modulus (G≍1kPa), (PDMS 10:1) with shear modulus (G≍300kPa), polymethylmethacrylate (PMMA, G≍2.6×109GPa) and silica (G≍3×1010 GPa). The sphere size was kept constant with 1mm in diameter for all above materials. The optical modes of the sphere exit using a tapered single mode optical fiber that is coupled to a distributed feedback laser. The transmission spectrum through the fiber is monitored to detect WGM shifts. The results showed the resonators with smaller shear modulus G experience larger WGM shift due to the larger mechanical deformation induced by the applied external centripetal force. Also, the results show that angular velocity sensors used in the torsional vibrational applications could be designed using this principle.

  8. Structural, vibrational and theoretical studies of anilinium trichloroacetate: new hydrogen bonded molecular crystal with nonlinear optical properties.

    Science.gov (United States)

    Tanak, H; Pawlus, K; Marchewka, M K; Pietraszko, A

    2014-01-24

    In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of the potential nonlinear optical (NLO) material anilinium trichloroacetate. The FT-IR and FT-Raman spectra of the compound have been recorded together between 4000-80 cm(-1) and 3600-80 cm(-1) regions, respectively. The compound crystallizes in the noncentrosymmetric space group of monoclinic system. The optimized molecular structure, vibrational wavenumbers, IR intensities and Raman activities have been calculated by using density functional method (B3LYP) with 6-311++G(d,p) as higher basis set. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. DSC measurements on powder samples do not indicate clearly on the occurrence of phase transitions in the temperature 113-293 K. The Kurtz and Perry powder reflection technique appeared to be very effective in studies of second-order nonlinear optical properties of the molecule. The non-linear optical properties are also addressed theoretically. The predicted NLO properties of the title compound are much greater than ones of urea. In addition, DFT calculations of the title compound, molecular electrostatic potential, frontier orbitals and thermodynamic properties were also performed at 6-311++G(d,p) level of theory. For title crystal the SHG efficiency was estimated by Kurtz-Perry method to be d(eff)=0.70 d(eff) (KDP). Copyright © 2013 Elsevier B.V. All rights reserved.

  9. Scaling the Raman Gain Coefficient of Optical Fibers

    DEFF Research Database (Denmark)

    Rottwitt, Karsten; Bromage, J; Leng, L

    2002-01-01

    Scaling rules for the Raman gain coefficient are provided with emphasis on the effective area and wavelength dependence. Translation from measurements made at one pump wavelength to other pump wavelengths is demonstrated....

  10. Low frequency Raman scattering for high resolution low temperature optical fiber sensors

    Science.gov (United States)

    Rabia, M. K.; Jurdyc, A.-M.; Le Brusq, J.; Champagnon, B.; Vouagner, D.

    2017-09-01

    Raman distributed optical fiber temperature sensors are based on the intensity ratio of the anti-Stokes to the Stokes Raman band at 440 cm-1 of silica. In this paper we predict that the sensitivity of the Raman measurements for low temperatures can be improved by considering the Boson peak in the low frequency Raman scattering domain at 60 cm-1. In this way Raman temperature sensors can be performed down to cryogenic temperatures. It is further shown that the Boson peak is less dependent than the 440 cm-1 band to the polarization of light. For the usual excitation at 1550 nm the anti-Stokes Boson peak at 1536 nm is in the low loss transmission window of the silica fibers.

  11. High-speed Vibrational Imaging and Spectral Analysis of Lipid Bodies by Compound Raman Microscopy

    OpenAIRE

    Slipchenko, Mikhail N.; Le, Thuc T.; Chen, Hongtao; Cheng, Ji-Xin

    2009-01-01

    Cells store excess energy in the form of cytoplasmic lipid droplets. At present, it is unclear how different types of fatty acids contribute to the formation of lipid-droplets. We describe a compound Raman microscope capable of both high-speed chemical imaging and quantitative spectral analysis on the same platform. We use a picosecond laser source to perform coherent Raman scattering imaging of a biological sample and confocal Raman spectral analysis at points of interest. The potential of t...

  12. Macrocycle and substituent vibrational modes of nonplanar nickel (II) octaethyltetraphenylporphyrin from its resonance Raman, near-infrared-excited FT Raman, and FT-IR spectra and deuterium isotope shifts

    Energy Technology Data Exchange (ETDEWEB)

    Stichternath, A.; Schweitzer-Stenner, R.; Dreybrodt, W. (Univ. of Bremen (Germany)); Mak, R.S.W.; Li, X.Y. (Hong Kong Univ. of Science and Technology (Hong Kong)); Sparks, L.D.; Shelnutt, J.A. (Sandia National Lab., Albuquerque, NM (United States) Univ. of New Mexico, Albuquerque (United States)); Medforth, C.J.; Smith, K.M. (Univ. of California, Davis (United States))

    1993-04-15

    We have employed Raman dispersion, FT Raman, and FT-IR spectroscopy to identify a large number of resonance Raman lines of Ni(II) octaethyltetraphenylporphyrin dissolved in CS[sub 2]. The Raman depolarization dispersion technique was used to derive the symmetry of the normal modes giving rise to the observed Raman lines. By combining this information and the already available normal coordinates of Ni(II) tetraphenylporphyrin and Ni(II) octaethylporphyrin, many of the Raman-modes of the macrocycle could be assigned. Some resonance-enhanced Raman lines were found to arise from vibrations of the ethyl and phenyl substituents. They were identified by comparing resonance Raman, FT Raman, and FT infrared spectra of the Ni(II) octaethyltetraphenylporphyrin and its d[sub 20] isotopomer. All Raman lines normally referred to as core-size markers are found to be significantly shifted to lower frequencies with respect to their positions in Ni(II) octaethylporphyrin, in accordance with earlier findings (Shelnutt et al., J. Am. Chem. Soc. 113, 4077, 1991). This suggests that the molecule is in a highly nonplanar conformation. This notion is further corroborated by the strong dispersion of the depolarization ratio observed for nearly all A[sub 1g] and A[sub 2g] modes of the macrocycle. 27 refs., 13 figs., 2 tabs.

  13. Low-frequency vibrational excitations in the amorphous and crystalline states of triphenyl phosphite: A neutron and Raman scattering investigation

    Science.gov (United States)

    Hédoux, Alain; Derollez, Patrick; Guinet, Yannick; Dianoux, Albert José; Descamps, Marc

    2001-04-01

    The vibrational density of states in the triphenyl phosphite, measured by inelastic neutron scattering, were obtained during isothermal aging at Ta=210, 213, and 216 K. The low-frequency ωn behavior of the vibrational density of states was observed to be time dependent. This is suggestive of an abortive crystallization process because the ω exponent has not reached the characteristic value of the crystalline state (n=2) at the end of the transformation. The confrontation of inelastic neutron scattering and Raman data in the low-frequency range reveals interesting information about the structural organization in the liquid, the glass, the undercooled liquid, and the glacial state, through the observation of the boson peak.

  14. Influence of the precursors in the morphology, structure, vibrational order and optical gap of nano structured Zn O

    Energy Technology Data Exchange (ETDEWEB)

    Jurado, J. F.; Londono C, A.; Jurado L, F. F.; Romero S, J. D., E-mail: jfjurado@unal.edu.co [Universidad Nacional de Colombia, Laboratorio de Propiedades Termicas Dielectricas de Compositos, A. A. 127, Manizales (Colombia)

    2014-07-01

    The synthesis of Zn O by reaction in solid state from two precursor salts (zinc acetate and zinc sulfate), presented significant differences concerning morphology, structure, vibrational order and optical gap. As well as covering in the size of the compounds, a homogeneous distribution of nanoparticles of 21±3 nm and micro stars of 1.03±0.19 μm respectively. The Zn O showed a structural phase with a vibrational state of the hexagonal type (wurtzite). The variation in the morphology due to the precursor is attributed to the disorder within of lattice, which contributes to vibrational changes and is correlated to the degrees of freedom of molecules. Measurements of UV-Vis of nanoparticles displayed a band gap (E{sub g}) lower than the one reported for the bulk material. The structural characterization of the compounds was carried out by using a X-ray Bruker D8 Advance diffractometer. The vibrational order was assessed throughout micro-Raman with a monochromatic radiation source of 473 nm). (Author)

  15. Biomedical Tissue Phantoms with Controlled Geometric and Optical Properties for Raman Spectroscopy and Tomography

    Science.gov (United States)

    Esmonde-White, Francis W.L.; Esmonde-White, Karen A.; Kole, Matthew R.; Goldstein, Steven A.; Roessler, Blake J.; Morris, Michael D.

    2012-01-01

    To support the translation of Raman spectroscopy into clinical applications, synthetic models are needed to accurately test, optimize and validate prototype fiber optic instrumentation. Synthetic models (also called tissue phantoms) are widely used for developing and testing optical instrumentation for diffuse reflectance, fluorescence, and Raman spectroscopies. While existing tissue phantoms accurately model tissue optical scattering and absorption, they do not typically model the anatomic shapes and chemical composition of tissue. Because Raman spectroscopy is sensitive to molecular composition, Raman tissue phantoms should also approximate the bulk tissue composition. We describe the fabrication and characterization of tissue phantoms for Raman tomography and spectroscopy. These phantoms have controlled chemical and optical properties, and also multilayer morphologies which approximate the appropriate anatomic shapes. Tissue phantoms were fabricated to support on-going Raman studies by simulating human wrist and rat leg. Surface meshes (triangle patch models) were generated from computed tomography (CT) images of a human arm and rat leg. Rapid prototyping was used to print mold templates with complex geometric patterns. Plastic casting techniques used for movie special effects were adapted to fabricate molds from the rapid prototypes, and finally to cast multilayer gelatin tissue phantoms. The gelatin base was enriched with additives to model the approximate chemistry and optical properties of individual tissue layers. Additional studies were performed to determine optimal casting conditions, phantom stability, layer delamination and chemical diffusion between layers. Recovery of diffuse reflectance and Raman spectra in tissue phantoms varied with probe placement. These phantoms enable optimization of probe placement for human or rat studies. These multilayer tissue phantoms with complex geometries are shown to be stable, with minimal layer delamination and

  16. Raman selection rule of surface optical phonon in ZnS nanobelts

    KAUST Repository

    Ho, Chih-Hsiang

    2016-02-18

    We report Raman scattering results of high-quality wurtzite ZnS nanobelts (NBs) grown by chemical vapor deposition. In Raman spectrum, the ensembles of ZnS NBs exhibit first order phonon modes at 274 cm-1 and 350 cm-1, corresponding to A1/E1 transverse optical and A1/E1 longitudinal optical phonons, in addition with strong surface optical (SO) phonon mode at 329 cm-1. The existence of SO band is confirmed by its shift with different surrounding dielectric media. Polarization dependent Raman spectrum was performed on a single ZnS NB and for the first time SO phonon band has been detected on a single nanobelt. Different selection rules of SO phonon modeshown from their corresponding E1/A1 phonon modeswere attributed to the anisotropic translational symmetry breaking on the NB surface.

  17. [New type distributed optical fiber temperature sensor (DTS) based on Raman scattering and its' application].

    Science.gov (United States)

    Wang, Jian-Feng; Liu, Hong-Lin; Zhang, Shu-Qin; Yu, Xiang-Dong; Sun, Zhong-Zhou; Jin, Shang-Zhong; Zhang, Zai-Xuan

    2013-04-01

    Basic principles, development trends and applications status of distributed optical fiber Raman temperature sensor (DTS) are introduced. Performance parameters of DTS system include the sensing optical fiber length, temperature measurement uncertainty, spatial resolution and measurement time. These parameters have a certain correlation and it is difficult to improve them at the same time by single technology. So a variety of key techniques such as Raman amplification, pulse coding technique, Raman related dual-wavelength self-correction technique and embedding optical switching technique are researched to improve the performance of the DTS system. A 1 467 nm continuous laser is used as pump laser and the light source of DTS system (1 550 nm pulse laser) is amplified. When the length of sensing optical fiber is 50 km the Raman gain is about 17 dB. Raman gain can partially compensate the transmission loss of optical fiber, so that the sensing length can reach 50 km. In DTS system using pulse coding technique, pulse laser is coded by 211 bits loop encoder and correlation calculation is used to demodulate temperature. The encoded laser signal is related, whereas the noise is not relevant. So that signal-to-noise ratio (SNR) of DTS system can be improved significantly. The experiments are carried out in DTS system with single mode optical fiber and multimode optical fiber respectively. Temperature measurement uncertainty can all reach 1 degrees C. In DTS system using Raman related dual-wavelength self-correction technique, the wavelength difference of the two light sources must be one Raman frequency shift in optical fiber. For example, wavelength of the main laser is 1 550 nm and wavelength of the second laser must be 1 450 nm. Spatial resolution of DTS system is improved to 2 m by using dual-wavelength self-correction technique. Optical switch is embedded in DTS system, so that the temperature measurement channel multiply extended and the total length of the sensing

  18. [A study of phonon vibration like modes for aggregation structure in silicate melts by high temperature Raman spectrum].

    Science.gov (United States)

    Xu, Pei-Cang; Li, Ru-Bi; Shang, Tong-Ming; Zhou, Jian; Sun, Jian-Hua; You, Jing-Lin

    2010-05-01

    Silicate melts are special fractal dimension system that is metastable state of near-way order and far-way disorder. In this paper, the size of nanometer aggregation structure and the frequences of phonon vibration like mode in the low dimension silicate series (CaO-Al2O3-SiO2 and Na2-Al2O3-SiO2 series) synthesized via high temperature melting and sol gel methods were measured by means of small-angle X-ray scattering (SAXS), low wavenumber Raman spectrum (LWRS) and high temperature Raman spectrum (HTRS in situ measuring). The nanometer self-similarity aggregation structure(it's size is about a few nm to a few tens nm) and phonic phonon vibration like modes of low temperature silicate gel, high temperature silicate melts and it's quenching glasses phases were obtained. So a quantitative method by HTRS for measuring the aggregation size in the high temperature melts was established. The results showed that the aggregation size of the silicate melts is smaller at high temperature than at room temperature and the number of bridge oxygen in one Si-O tetrahedron in network structure units is decreasing at high temperature. This study work provides important theory and information for deliberating geochemistry characteristic, crystallization & evolution of natural magma and enhancing performance of low dimension silicate matelials.

  19. Evaluation of NaCl Effect on Vibration-Delaminated Metal-Polymer Composites by Improved Micro-Raman Methodology

    Directory of Open Access Journals (Sweden)

    E. Zumelzu

    2013-01-01

    Full Text Available Polyethylene terephthalate (PET is a polymer coating that protects the electrolytic chromium coated steel (ECCS against aggressive electrolytes like NaCl. It is widely accepted by manufacturers that NaCl has no effect on the PET coating, which is inert. However, we showed that there are some effects at the structural level, caused by vibrations, and facilitated by defects on the layers. The vibrations occurring during the transportation of food containers produce delaminations at given points of the metal-polymer interface, known as antinodes, which in turn may produce PET degradation affecting food quality. The former can be determined by electrochemical measurements, and the changes in composition or structural order can be characterized by Raman. The present work applied this latter technique in experimental samples of PET-coated ECCS sheets by performing perpendicular and parallel analyses to the surface, and determined that it constitutes a new potential methodology to determine the behavior of the composite under the above conditions. The results demonstrated that the delamination areas on the PET facilitated polymer degradation by the electrolyte. Moreover, the Raman characterization evidenced the presence of multilayers and crystalline orderings, which limited its functionality as a protective coating.

  20. Analysis of DWDM System Using DPSK Modulation Technique with Raman-EDFA Hybrid Optical Amplifier

    Science.gov (United States)

    Gill, Manveer Singh; Dewra, Sanjeev

    2017-12-01

    This paper evaluates the performance of differential phase shift keying (DPSK) optical system based on Raman-erbium-doped fiber amplifier (EDFA) hybrid optical amplifier (HOA) is obtained at 64×20 Gbps with 0.1 THz channel spacing. A DPSK signal with bit rate of 20 Gbps is transmitted up to 210 km at 0 dBm signal input power and up to 166 km at -10 dBm signal input power with acceptable quality factor and bit error rate (BER). It is also found that the transmission distance up to 264 km has been covered at 10 dBm signal input power using Raman-EDFA HOA.

  1. Influence of Stimuled Raman Scattering on Transmitted Optical Signal in WDM System

    Directory of Open Access Journals (Sweden)

    Ján Ružbarský

    2015-12-01

    Full Text Available Paper is focused on simulations behavior of signals in high-speed networks. Huge amount of transmitted information and increase in transmission speed create unwanted events in optical fiber. The main influences comprise effects such as: stimulated Raman scattering and stimulated Brillouin scattering. This paper is focused only on Raman scattering. For transmitting a signal through optical fiber one needs to select an appropriate wavelength. This is one of goals the experiment in this article. Signals were transmitted accordance with Dense Wavelength Division Multiplexing (DWDM and spacing among channels 100GHz.

  2. Raman spectroscopy of optical properties in CdS thin films

    Directory of Open Access Journals (Sweden)

    Trajić J.

    2015-01-01

    Full Text Available Properties of CdS thin films were investigated applying atomic force microscopy (AFM and Raman spectroscopy. CdS thin films were prepared by using thermal evaporation technique under base pressure 2 x 10-5 torr. The quality of these films was investigated by AFM spectroscopy. We apply Raman scattering to investigate optical properties of CdS thin films, and reveal existence of surface optical phonon (SOP mode at 297 cm-1. Effective permittivity of mixture were modeled by Maxwell - Garnet approximation. [Projekat Ministarstva nauke Republike Srbije, br. 45003

  3. Analyzing the fundamental properties of Raman amplification in optical fibers

    DEFF Research Database (Denmark)

    Rottwitt, Karsten; Povlsen, Jørn Hedegaard

    2005-01-01

    . A simple model shows that the time response related to the decay of phonons is significantly larger in germanate glass relative to silica glass. From the Raman gain, it is found that the contribution to the nonlinear refractive index from nuclear motions is reduced by a factor of 2 in germanate relative...... to silica glass....

  4. Integrated optical modules for miniature raman spectroscopy devices

    NARCIS (Netherlands)

    Çivitci, F.

    2014-01-01

    Raman spectroscopy is a powerful materials analysis technique used for identification of molecules residing near the surface of a sample. It has been successfully used for a broad range of application areas such as material science, biology, medicine and pharmacology owing to its numerous

  5. Optical trapping, pulling, and Raman spectroscopy of airborne absorbing particles based on negative photophoretic force

    Science.gov (United States)

    Chen, Gui-hua; He, Lin; Wu, Mu-ying; Yang, Guang; Li, Y. Q.

    2017-08-01

    Optical pulling is the attraction of objects back to the light source by the use of optically induced "negative forces". The light-induced photophoretic force is generated by the momentum transfer between the heating particles and surrounding gas molecules and can be several orders of magnitude larger than the radiation force and gravitation force. Here, we demonstrate that micron-sized absorbing particles can be optically pulled and manipulated towards the light source over a long distance in air with a collimated Gaussian laser beam based on a negative photophoretic force. A variety of airborne absorbing particles can be pulled by this optical pipeline to the region where they are optically trapped with another focused laser beam and their chemical compositions are characterized with Raman spectroscopy. We found that micron-sized particles are pulled over a meter-scale distance in air with a pulling speed of 1-10 cm/s in the optical pulling pipeline and its speed can be controlled by changing the laser intensity. When an aerosol particle is optically trapped with a focused Gaussian beam, we measured its rotation motion around the laser propagation direction and measured its Raman spectroscopy for chemical identification by molecular fingerprints. The centripetal acceleration of the trapped particle as high as 20 times the gravitational acceleration was observed. Optical pulling over large distances with lasers in combination with Raman spectroscopy opens up potential applications for the collection and identification of atmospheric particles.

  6. Vibrational analysis by Raman spectroscopy of the interface between dental adhesive resin and dentin.

    Science.gov (United States)

    Suzuki, M; Kato, H; Wakumoto, S

    1991-07-01

    The Raman microprobe technique was applied for analysis of the molecular components at the adhesive interface between 4-META/MMA-TBB resin and dentin. The Raman spectra showed that the 4-META molecules in monomer solution were mostly hydrolyzed into 4-MET molecules, which were then co-polymerized with MMA molecules to form resin and resin-reinforced dentin layers. On the basis of line analysis by the Raman microprobe, resin molecules were estimated to penetrate 6 microns into the dentin from the interface. Raman intensity studies indicated that the concentration of 4-MET molecular units in the resin-reinforced dentin was more than four times the concentration in the original monomer solution. This demonstrated the excellent infiltration ability of 4-MET monomer into dentin substrate in situ.

  7. Delineation of protein structure classes from multivariate analysis of protein Raman optical activity data.

    Science.gov (United States)

    Zhu, Fujiang; Tranter, George E; Isaacs, Neil W; Hecht, Lutz; Barron, Laurence D

    2006-10-13

    Vibrational Raman optical activity (ROA), measured as a small difference in the intensity of Raman scattering from chiral molecules in right and left-circularly polarized incident light, or as the intensity of a small circularly polarized component in the scattered light, is a powerful probe of the aqueous solution structure of proteins. On account of the large number of structure-sensitive bands in protein ROA spectra, multivariate analysis techniques such as non-linear mapping (NLM) are especially favourable for determining structural relationships between different proteins. Here NLM is used to map a dataset of 80 polypeptide, protein and virus ROA spectra, considered as points in a multidimensional space with axes representing the digitized wavenumbers, into readily visualizable two and three-dimensional spaces in which points close to or distant from each other, respectively, represent similar or dissimilar structures. Discrete clusters are observed which correspond to the seven structure classes all alpha, mainly alpha, alphabeta, mainly beta, all beta, mainly disordered/irregular and all disordered/irregular. The average standardised ROA spectra of the proteins falling within each structure class have distinct features characteristic of each class. A distinct cluster containing the wheat protein A-gliadin and the plant viruses potato virus X, narcissus mosaic virus, papaya mosaic virus and tobacco rattle virus, all of which appear in the mainly alpha cluster in the two-dimensional representation, becomes clearly separated in the direction of increasing disorder in the three-dimensional representation. This suggests that the corresponding five proteins, none of which to date has yielded high-resolution X-ray structures, consist mainly of alpha-helix and disordered structure with little or no beta-sheet. This combination of structural elements may have functional significance, such as facilitating disorder-to-order transitions (and vice versa) and suppressing

  8. Analysis of environmental microplastics by vibrational microspectroscopy: FTIR, Raman or both?

    Science.gov (United States)

    Käppler, Andrea; Fischer, Dieter; Oberbeckmann, Sonja; Schernewski, Gerald; Labrenz, Matthias; Eichhorn, Klaus-Jochen; Voit, Brigitte

    2016-11-01

    The contamination of aquatic ecosystems with microplastics has recently been reported through many studies, and negative impacts on the aquatic biota have been described. For the chemical identification of microplastics, mainly Fourier transform infrared (FTIR) and Raman spectroscopy are used. But up to now, a critical comparison and validation of both spectroscopic methods with respect to microplastics analysis is missing. To close this knowledge gap, we investigated environmental samples by both Raman and FTIR spectroscopy. Firstly, particles and fibres >500 μm extracted from beach sediment samples were analysed by Raman and FTIR microspectroscopic single measurements. Our results illustrate that both methods are in principle suitable to identify microplastics from the environment. However, in some cases, especially for coloured particles, a combination of both spectroscopic methods is necessary for a complete and reliable characterisation of the chemical composition. Secondly, a marine sample containing particles microplastics as well as spectra quality, measurement time and handling. We show that FTIR imaging leads to significant underestimation (about 35 %) of microplastics compared to Raman imaging, especially in the size range microplastics fraction into 500-50 μm (rapid and reliable analysis by FTIR imaging) and into 50-1 μm (detailed and more time-consuming analysis by Raman imaging). Graphical Abstract Marine microplastic sample (fraction <400 μm) on a silicon filter (middle) with the corresponding Raman and IR images.

  9. Surface enhanced Raman optical activity of molecules on orientationally averaged substrates: theory of electromagnetic effects.

    Science.gov (United States)

    Janesko, Benjamin G; Scuseria, Gustavo E

    2006-09-28

    We present a model for electromagnetic enhancements in surface enhanced Raman optical activity (SEROA) spectroscopy. The model extends previous treatments of SEROA to substrates, such as metal nanoparticles in solution, that are orientationally averaged with respect to the laboratory frame. Our theoretical treatment combines analytical expressions for unenhanced Raman optical activity with molecular polarizability tensors that are dressed by the substrate's electromagnetic enhancements. We evaluate enhancements from model substrates to determine preliminary scaling laws and selection rules for SEROA. We find that dipolar substrates enhance Raman optical activity (ROA) scattering less than Raman scattering. Evanescent gradient contributions to orientationally averaged ROA scale to first or higher orders in the gradient of the incident plane-wave field. These evanescent gradient contributions may be large for substrates with quadrupolar responses to the plane-wave field gradient. Some substrates may also show a ROA contribution that depends only on the molecular electric dipole-electric dipole polarizability. These conclusions are illustrated via numerical calculations of surface enhanced Raman and ROA spectra from (R)-(-)-bromochlorofluoromethane on various model substrates.

  10. Stable optical trapping and sensitive characterization of nanostructures using standing-wave Raman tweezers

    Science.gov (United States)

    Wu, Mu-Ying; Ling, Dong-Xiong; Ling, Lin; Li, William; Li, Yong-Qing

    2017-02-01

    Optical manipulation and label-free characterization of nanoscale structures open up new possibilities for assembly and control of nanodevices and biomolecules. Optical tweezers integrated with Raman spectroscopy allows analyzing a single trapped particle, but is generally less effective for individual nanoparticles. The main challenge is the weak gradient force on nanoparticles that is insufficient to overcome the destabilizing effect of scattering force and Brownian motion. Here, we present standing-wave Raman tweezers for stable trapping and sensitive characterization of single isolated nanostructures with a low laser power by combining a standing-wave optical trap with confocal Raman spectroscopy. This scheme has stronger intensity gradients and balanced scattering forces, and thus can be used to analyze many nanoparticles that cannot be measured with single-beam Raman tweezers, including individual single-walled carbon nanotubes (SWCNT), graphene flakes, biological particles, SERS-active metal nanoparticles, and high-refractive semiconductor nanoparticles. This would enable sorting and characterization of specific SWCNTs and other nanoparticles based on their increased Raman fingerprints.

  11. Vapor-phase Raman spectra, theoretical calculations, and the vibrational and structural properties of cis- and trans-stilbene.

    Science.gov (United States)

    Egawa, Toru; Shinashi, Kiyoaki; Ueda, Toyotoshi; Ocola, Esther J; Chiang, Whe-Yi; Laane, Jaan

    2014-02-13

    The vapor-phase Raman spectra of cis- and trans-stilbene have been collected at high temperatures and assigned. The low-frequency skeletal modes were of special interest. The molecular structures and vibrational frequencies of both molecules have also been obtained using MP2/cc-pVTZ and B3LYP/cc-pVTZ calculations, respectively. The two-dimensional potential map for the internal rotations around the two Cphenyl-C(═C) bonds of cis-stilbene was generated by using a series of B3LYP/cc-pVTZ calculations. It was confirmed that the molecule has only one conformer with C2 symmetry. The energy level calculation with a two-dimensional Hamiltonian was carried out, and the probability distribution for each level was obtained. The calculation revealed that the "gearing" internal rotation in which the two phenyl rings rotate with opposite directions has a vibrational frequency of 26 cm(-1), whereas that of the "antigearing" internal rotation in which the phenyl rings rotate with the same direction is about 52 cm(-1). In the low vibrational energy region the probability distribution for the gearing internal rotation is similar to that of a one-dimensional harmonic oscillator, and in the higher region the motion behaves like that of a free rotor.

  12. Temperature-jump apparatus with Raman detection based on a solid-state tunable (1.80-2.05 microm) kHz optical parametric oscillator laser.

    Science.gov (United States)

    Balakrishnan, Gurusamy; Hu, Ying; Spiro, Thomas G

    2006-04-01

    The operating characteristics of a pulsed (10 ns) tunable near-infrared (NIR) laser source are described for temperature-jump (T-jump) applications. A Q-switched Nd:YLF laser (approximately 10 ns pulses) with a 1 kHz repetition rate is used to pump a potassium titanyl arsenate (KTA) crystal-based optical parametric oscillator (OPO), producing approximately 1 mJ NIR pulses that are tunable (1.80-2.05 microm) across the 1.9 microm vibrational overtone band of water. This T-jump source has been coupled to a deep ultraviolet (UV) probe laser for Raman studies of protein dynamics. T-jumps of up to 30 degrees C, as measured via the O-H stretching Raman band of water, are readily achieved. Application to cytochrome c unfolding is demonstrated.

  13. Optical Coherence Tomography and Biomolecular Imaging with Coherent Raman Scattering Microscopy

    DEFF Research Database (Denmark)

    Andersson-Engels, Stefan; Andersen, Peter E.

    2014-01-01

    The Special Section on Selected Topics in Biophotonics: Optical Coherence Tomography and Biomolecular Imaging with Coherent Raman Scattering Microscopy comprises two invited review papers and several contributed papers from the summer school Biophotonics ’13, as well as contributed papers within...

  14. Trapping Polarization of Light in Nonlinear Optical Fibers: An Ideal Raman Polarizer

    Science.gov (United States)

    Kozlov, Victor V.; Nuño, Javier; Ania-Castañón, Juan Diego; Wabnitz, Stefan

    The main subject of this contribution is the all-optical control over the state of polarization (SOP) of light, understood as the control over the SOP of a signal beam by the SOP of a pump beam. We will show how the possibility of such control arises naturally from a vectorial study of pump-probe Raman interactions in optical fibers. Most studies on the Raman effect in optical fibers assume a scalar model, which is only valid for high-PMD fibers (here, PMD stands for the polarization-mode dispersion). Modern technology enables manufacturing of low-PMD fibers, the description of which requires a full vectorial model. Within this model we gain full control over the SOP of the signal beam. In particular we show how the signal SOP is pulled towards and trapped by the pump SOP. The isotropic symmetry of the fiber is broken by the presence of the polarized pump. This trapping effect is used in experiments for the design of new nonlinear optical devices named Raman polarizers. Along with the property of improved signal amplification, these devices transform an arbitrary input SOP of the signal beam into one and the same SOP towards the output end. This output SOP is fully controlled by the SOP of the pump beam. We overview the state-of-the-art of the subject and introduce the notion of an "ideal Raman polarizer."

  15. Double-ended calibration of fiber-optic Raman spectra distributed temperature sensing data

    NARCIS (Netherlands)

    Van de Giesen, N.C.; Steele-Dunn, S.C.; Jansen, J.; Hoes, O.A.C.; Hausner, M.B.; Tyler, S.; Selker, J.

    2012-01-01

    Over the past five years, Distributed Temperature Sensing (DTS) along fiber optic cables using Raman backscattering has become an important tool in the environmental sciences. Many environmental applications of DTS demand very accurate temperature measurements, with typical RMSE < 0.1 K. The aim of

  16. Electro-Optical Multichannel Spectrometer for Transient Resonance Raman and Absorption Spectroscopy

    DEFF Research Database (Denmark)

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

    1979-01-01

    An optical multichannel system is described, used for time‐dependent absorption measurements in the gas phase and the liquid phase and for resonance Raman spectroscopy of short‐lived transient species in the liquid phase in pulse radiolysis. It consists of either an image converter streak unit...

  17. Zinc oxide nanoparticles with incorporated silver: Structural, morphological, optical and vibrational properties

    Energy Technology Data Exchange (ETDEWEB)

    Mosquera, Edgar, E-mail: edemova@ing.uchile.cl [Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2069, Santiago (Chile); Rojas-Michea, Carolina, E-mail: rojasmichea@gmail.com [Departamento de Ingeniería Química y Biotecnología, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2007, Santiago (Chile); Morel, Mauricio, E-mail: mmorel@ing.uchile.cl [Departamento de Ciencia de los Materiales, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2069, Santiago (Chile); Gracia, Francisco, E-mail: Fgracia@ing.uchile.cl [Departamento de Ingeniería Química y Biotecnología, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Tupper 2007, Santiago (Chile); Fuenzalida, Víctor, E-mail: vfuenzal@ing.uchile.cl [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Av. Blanco Encalada 2008, Santiago (Chile); Zárate, Ramón A., E-mail: rzarate@ucn.cl [Departamento de Física, Facultad de Ciencias, Universidad Católica del Norte, Casilla 1280, Antofagasta (Chile)

    2015-08-30

    Graphical abstract: Local vibrational modes of ZnO:Ag nanoparticles. - Highlights: • Formation of Ag biphases is observed when the Ag content increases. • The SPR property has been monitored in the UV–visible regime. • PL emission of ZnO:Ag nanoparticles are associated to structural defects. • A new local vibrational mode induced by Ag content were observed in the Raman spectra. - Abstract: Zinc oxide nanoparticles with different amounts of incorporated silver (ZnO:Ag; 0.6, 3, 6, and 9 at.% Ag) have been successfully synthesized by a simple sol gel method. The effect of Ag content on the properties of ZnO nanoparticles have been studied by various characterization techniques. The results from X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy (RS) suggest that elemental silver is present as a second phase. The UV–visible absorption and photoluminescence (PL) properties of the samples were also studied. PL data at room temperature reveals a strong blue emission. In addition, Raman spectroscopy results indicate a very strong A{sub 1}(LO) mode resulting from oxygen vacancies and zinc interstitials. A new local vibrational mode (LVM) at 480 cm{sup −1} induced by silver can also be observed in the Raman spectra, suggesting silver incorporation into the ZnO lattice compensating the Zn vacancies, which is consistent with the XRD results.

  18. A Raman Fiber Optic Probe Assembly for use in Hostile Environments

    Energy Technology Data Exchange (ETDEWEB)

    Schmucker, John E.; Falk, Jon C.; Archer, William B.; Blasi, Raymond J.

    1998-09-21

    This invention provides a device for Raman spectroscopic measurement of composition and concentrations in a hostile environment by the use of a first fiber optic as a means of directing high intensity monochromatic light from a laser to the hostile environment and a second fiber optic to receive the lower intensity scattered light for transmittal to a monochromator for analysis. To avoid damage to the fiber optics, they are protected from the hostile environment. A preferred embodiment of the Raman fiber optic probe is able to obtain Raman spectra of corrosive gases and solutions at temperatures to 600 F and pressures up to 2000 psi. The incident exciting fiber optic cable makes an angle of substantially 90{degree} with the collecting fiber optic cable. This 90{degree} geometry minimizes the Rayleigh scattering signal picked up by the collecting fiber, because the intensity of Rayleigh scattering is lowest in the direction perpendicular to the beam path of the exciting light and therefore a 90{degree} scattering geometry optimizes the signal to noise ratio.

  19. Semiconductor optical amplifiers and Raman amplification for 1310-nm dense wavelength division multiplexed transmission

    Science.gov (United States)

    Mazurek, Paweł; Czyżak, Paweł; de Waardt, Huug; Turkiewicz, Jarosław Piotr

    2015-11-01

    We investigate the utilization of semiconductor optical amplifiers (SOAs) and quantum-dot laser-based Raman amplifiers in high-capacity dense wavelength division multiplexed (DWDM) 1310-nm transmission systems. Performed simulations showed that in a 10×40 Gbit/s system, the utilization of a single Raman amplifier in a back-propagation scheme can extend the maximum error-free (bit error rate DWDM transmission over 25 km. Conducted experiments showed that the utilization of a Raman amplifier in this system leads to 4-dB improvement of the average channel sensitivity in comparison to the same system utilizing SOAs. This sensitivity improvement can be translated into a higher power budget. Moreover, lower input optical power in a system utilizing a Raman amplifier reduces the four-wave mixing interactions. The obtained results prove that Raman amplification can be successfully applied in 1310-nm high-capacity transmission systems, e.g., to extend the reach of 400G and 1T Ethernet systems.

  20. Distributed vibration sensing on optical fibre: field testing in borehole seismic applications

    Science.gov (United States)

    Frignet, B.; Hartog, A. H.; Mackie, D.; Kotov, O. I.; Liokumovich, L. B.

    2014-05-01

    We describe the measurement of seismic waves in a borehole using distributed vibration sensing conveyed on wireline cable. The optical measurement is compared directly with the results of a multi-level borehole seismic survey with conventional electrical accelerometers.

  1. Vibrational Spectra and Density functional calculation of Organic Nonlinear Optic Crystal p-Amino Acetanilide

    Energy Technology Data Exchange (ETDEWEB)

    Saja, D; Joe, I Hubert; Jayakumar, V S [Department of Physics, Mar Ivanios College, Thiruvananthapuram-695015, Kerala (India)

    2006-01-01

    The NIR-FT Raman, FT-IR spectral analysis of potential NLO material P-Amino Acetanilide is carried out by density functional computations. The optimized geometry shows that NH2 and NHCOCH3 groups substituted in para position of phenyl ring are non-planar which predicts maximum conjugation of molecule with donor and acceptor groups. Vibrational analysis reveals that simultaneous IR and Raman activation of the phenyl ring modes also provide evidence for the charge transfer interaction between the donors and the acceptor can make the molecule highly polarized and the intra molecular charge transfer interaction must be responsible for the NLO properties of PAA.

  2. Vibrational Phase Contrast Microscopy by Use of Coherent Anti-Stokes Raman Scattering

    NARCIS (Netherlands)

    Jurna, M.; Korterik, Jeroen P.; Otto, Cornelis; Herek, Jennifer Lynn; Offerhaus, Herman L.

    2009-01-01

    In biological samples the resonant coherent anti-Stokes Raman scattering signal of less abundant constituents can be overwhelmed by the nonresonant background, preventing detection of those molecules. We demonstrate a method to obtain the phase of the oscillators in the focal volume that allows

  3. Fiber-optic surface-enhanced Raman system for field screening of hazardous compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ferrell, T.L.; Goudonnet, J.P.; Arakawa, E.T.; Reddick, R.C.; Gammage, R.B.; Haas, J.W.; James, D.R.; Wachter, E.A.

    1988-01-01

    Surface-enhanced Raman scattering permits identification of compounds adsorbed onto a metal microbase that is microlithographically produced with submicron resolution. Less than one percent of a monolayer of a Raman Active target compound offers a high signal-to-noise ratio. By depositing the microbase on the exterior of a fiber optic cable, convenient field screening or monitoring is permitted. By using highly effective microbases, it is possible to reduce laser power requirements sufficiently to allow an economical, but complete, system to be housed in a suitcase. We shall present details of SERS system of this type and shall show data on samples of interest in the screening of hazardous compounds.

  4. Conformational analysis and vibrational study of daidzein by using FT-IR and FT-Raman spectroscopies and DFT calculations.

    Science.gov (United States)

    Singh, Harshita; Singh, Swapnil; Srivastava, Anubha; Tandon, Poonam; Bharti, Purnima; Kumar, Sudhir; Maurya, Rakesh

    2014-01-01

    Daidzein (C15H10O4) is a type of isoflavone. It was isolated from Butea monosperma that belongs to the Fabaceae family. Soybeans and soy products are the abundant source of daidzein. It is the subject of investigation for many reasons, as it has got wide applications, such as anti-tumor, anti-estrogen, weak pro-estrogen and anti-cancer activities. In the present study, a complete vibrational assignment is provided for the observed IR and Raman spectra of daidzein. Electronic properties have been analyzed using TD-DFT method for both gaseous and solvent phase. The optimized geometry, total energy, potential energy surface and vibrational wavenumbers of daidzein have been determined using density functional theory (DFT/B3LYP) method with 6-311++G(d,p) basis set and a good correlation was found between observed and calculated values. The double well potential energy curve of the molecule about three bonds, has been plotted, as obtained from DFT/6-31G basis. The HOMO-LUMO energy gap of possible conformers has been calculated for comparing their chemical activity. Global reactivity descriptors have been calculated for predicting the chemical reactivity and the stability of chemical systems. Electrostatic potential surface has been plotted for predicting the structure activity relationship. NBO analysis has also been performed to study the stability of the molecule. NLO study reveals the nonlinear properties of the molecule. 1H and 13C NMR spectra have also been studied. Finally, the calculated results were used to simulate infrared and Raman spectra of the title compound which showed a good agreement with the observed spectra. Copyright © 2013 Elsevier B.V. All rights reserved.

  5. Experiments with dispersion engineered Bose-Einstein condensates: Raman dressing and novel optical lattices

    Science.gov (United States)

    Hamner, Christopher Richard

    This thesis aims at the investigation of complex condensed matter phenomena using quantum degenerate ultra-cold atomic gases as a well-controlled model system. The phenomena range from a novel spin-momentum coupling and periodic optical potentials, to mean field anti-ferromagnetic like ordering. Additionally the status of the implementation of a novel multi-dimensional optical super-lattice is reported. The first set of experiments presented in this thesis employ a Raman dressing scheme to realize spin-orbit coupling in a BEC. An understanding of the dynamic processes associated with this coupling is developed starting from the single particle level. After this, the many body ground state of the system is investigated and is found to provide an intriguing mapping to the Dicke model known from quantum optics. Next, the Raman dressing is combined with a weak moving optical lattice. This leads to a more complex band structure that is experimentally probed by exciting dynamical instabilities of the system. The combination of the Raman dressing with optical lattices has the potential to realize systems with large effective magnetic flux and novel phases. Finally, following a previous line of research in the WSU BEC group, novel dynamics due to the spatial Rabi winding of an elongated two-component BEC are presented. The experiments are conducted with an experimental apparatus built at WSU. To facilitate the studies of this thesis, a number of new tools have been installed in the setup, such as multi-dimensional optical lattices, precision magnetic field control, and a Raman laser system. Details of these technological advances will be described together with the scientific results that they have enabled.

  6. Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin.

    Science.gov (United States)

    Prabavathi, N; Nilufer, A; Krishnakumar, V

    2013-10-01

    The FTIR and FT-Raman spectra of Isoxanthopterin have been recorded in the region 4000-450 and 4000-100 cm(-1), respectively. The optimized geometry, frequency and intensity of the vibrational bands of Isoxanthopterin were obtained by the density functional theory (DFT) using 6-311++G(d,p) basis set. The harmonic vibrational frequencies were scaled and compared with experimental values. The observed and the calculated frequencies are found to be in good agreement. The (1)H and (13)C nuclear magnetic resonance chemical shifts of the molecule were also calculated using the gauge independent atomic orbital (GIAO) method. The UV-visible spectrum was also recorded and compared with the theoretical values. The calculated HOMO and LUMO energies show that charge transfer occurs within molecule. The first order hyperpolarizability (β0), related properties (β, α0 and Δα) and the Mulliken charges of the molecule were also computed using DFT calculations. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The results show that charge in electron density (ED) in the σ* and π* antibonding orbitals and second order delocalization energies (E2) confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. Information about the charge density distribution of the molecule and its chemical reactivity has been obtained by mapping molecular electrostatic potential surface. In addition, the non-linear optical properties were discussed from the dipole moment values and excitation wavelength in the UV-visible region. Copyright © 2013 Elsevier B.V. All rights reserved.

  7. Steering, Splitting and Cloning of Optical Beam in a Coherently Driven Raman Gain System

    OpenAIRE

    Verma, Onkar N.; Dey, Tarak N.

    2014-01-01

    We propose an all-optical anti-waveguide mechanism for steering, splitting, and cloning of an optical beam beyond the diffraction-limit. We use a spatially inhomogeneous pump beam to create an anti-waveguide structure in a Doppler broadened N -type four-level Raman gain medium for a co-propagating weak probe beam. We show that a transverse modulated index of refraction and gain due to the spatially dependent pump beam hold the keys to steering, splitting and cloning of an optical beam. We hav...

  8. Fiber Optic Coupled Raman Based Detection of Hazardous Liquids Concealed in Commercial Products

    Directory of Open Access Journals (Sweden)

    Michael L. Ramírez-Cedeño

    2012-01-01

    Full Text Available Raman spectroscopy has been widely proposed as a technique to nondestructively and noninvasively interrogate the contents of glass and plastic bottles. In this work, Raman spectroscopy is used in a concealed threat scenario where hazardous liquids have been intentionally mixed with common consumer products to mask its appearance or spectra. The hazardous liquids under consideration included the chemical warfare agent (CWA simulant triethyl phosphate (TEP, hydrogen peroxide, and acetone as representative of toxic industrial compounds (TICs. Fiber optic coupled Raman spectroscopy (FOCRS and partial least squares (PLS algorithm analysis were used to quantify hydrogen peroxide in whiskey, acetone in perfume, and TEP in colored beverages. Spectral data was used to evaluate if the hazardous liquids can be successfully concealed in consumer products. Results demonstrated that FOC-RS systems were able to discriminate between nonhazardous consumer products and mixtures with hazardous materials at concentrations lower than 5%.

  9. 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.

  10. Modelling, structural, thermal, optical and vibrational studies of a ...

    Indian Academy of Sciences (India)

    sis of all the fundamental vibration modes using the VEDA. 4 program [21]. Scaling factors used in this study were taken from literature [22]. In order to take into account the effect of intermolecular interactions on geometrical parameters and vibrational spectroscopy, we have considered an appropriate cluster model built up ...

  11. Qualitative and quantitative approach towards the molecular understanding of structural, vibrational and optical features of urea ninhydrin monohydrate

    Energy Technology Data Exchange (ETDEWEB)

    Sasikala, V. [Department of Physics, Bishop Moore College, Mavelikara, Alappuzha, Kerala 690110 (India); Sajan, D., E-mail: drsajanbmc@gmail.com [Department of Physics, Bishop Moore College, Mavelikara, Alappuzha, Kerala 690110 (India); Chaitanya, K. [Department of Chemistry, Nanjing University of Science and Technology, Xialingwei 200, Nanjing (China); Sundius, Tom [Department of Physics, University of Helsinki (Finland); Devi, T. Uma [Department of Physics, Government Arts College for Women (Autonomous), Pudukottai (India)

    2017-04-15

    In this study, single crystals of urea ninhydrin monohydrate (UNMH) have been grown by slow evaporation method. The grown crystals were characterized by FT-IR, FT-Raman and UV-Vis-NIR spectroscopies. The Kurtz and Perry powder method was employed to confirm the near-zero SHG efficiency of the as-grown centrosymmetric UNMH crystal. The third order nonlinearity of the crystal has been studied by the open aperture Z-scan method. The nonlinear absorption coefficient is calculated and the potentiality of UNMH in optical limiting applications is identified. The molecular geometry and the origin of optical non-linearity at the molecular level have been investigated by the density functional theory. The normal coordinate analysis was carried out to assign the molecular vibrational modes. Vibrational spectral studies confirms the presence of weak O-H⋯O and moderate O-H⋯O type hydrogen bonds in the molecule as well as O-H⋯O, N-H⋯O and blue-shifted C-H⋯O type H-bonds in the crystal. The intramolecular charge transfer interactions and the electronic absorption mechanisms have been discussed. The static and the dynamic values of hyperpolarizabilities for UNMH were estimated theoretically by DFT methods. - Highlights: • Molecular geometric and NBO interaction features of UNMH were analyzed. • Vibrational spectral features and types of H-bonding in isolated gaseous phase molecule were discussed. • Electronic absorption maxima of different phases of UNMH were found out. • The non-linear absorption behaviour of UNMH is investigated using z-scan. • First- and second- order hyperpolarizability values were estimated theoretically.

  12. Optical vibration detection spectral analysis assembly and method for detecting vibration in an object of interest

    Science.gov (United States)

    Hale, Thomas C.; Telschow, Kenneth L.

    1998-01-01

    A vibration detection assembly is described which includes an emitter of light which has object and reference beams, the object beam reflected off of a vibrating object of interest; and a photorefractive substance having a given response time and which passes the reflected object beam and the reference beam, the reference beam and the object beam interfering within the photorefractive substance to create a space charge field which develops within the response time of the photorefractive substance.

  13. Off-axis parabolic mirror optics for polarized Raman spectroscopy at low temperature

    Science.gov (United States)

    Chelwani, N.; Hoch, D.; Jost, D.; Botka, B.; Scholz, J.-R.; Richter, R.; Theodoridou, M.; Kretzschmar, F.; Böhm, T.; Kamarás, K.; Hackl, R.

    2017-05-01

    We report the development of a detection optics for the integration of Raman scattering and scanning probe microscopy at low temperature based on a parabolic mirror. In our set-up, half of the paraboloid mirror covers a solid angle of π corresponding to a numerical aperture of N.A. ≈ 0.85. The optical system can be used for far- and near-field spectroscopy. In the far field, the polarizations can be maintained to within 80%-90%. In combination with a scanning microscope (AFM/STM), tunneling or near-field experiments are possible with less than 10% loss of aperture. Our set-up provides ideal conditions for the future development of tip-enhanced Raman spectroscopy at low temperature.

  14. Development of a biofluid chemical measurement system using liquid core optical fiber Raman spectroscopy

    Science.gov (United States)

    Qi, Dahu

    Near Infrared (NIR) Raman spectroscopy can provide compositional information about chemicals dissolved in biological fluids. The Raman intensity is proportional to the amount of chemicals. It has been developed for years as a tool to measure biofluid chemical concentrations by illuminating sample and collecting Raman intensity holding the sample in a cuvette geometry. It has been found that the Raman intensity can be enhanced by increasing the excitation and collection sample volume in a liquid core optical fiber (LCOF) geometry. In this thesis, we present a biofluid chemical concentration measurement system using LCOF Raman spectroscopy. A home-built LCOF Raman spectroscopy system designed for this purpose using 830 nm illumination is described in the thesis. The system is switchable between LCOF and traditional cuvette geometry. The system was characterized using aqueous solutions. The Raman intensities of aqueous solutions from the two geometries were compared in both theory and experiment. The results agreed well with each other. As high as 15 fold Raman enhancement was observed. The Raman spectra of biological chemicals in aqueous solution and spiked urine samples were acquired from LCOF and cuvette geometries. The concentrations were predicted using partial least squares (PLS) leave one out cross validation. The results from the two geometries were compared. Concentrations of creatinine were measured in both setups. The LCOF geometry had an advantage at shorter integration times because of Raman enhancement while the cuvette geometry gave better results at longer integration times due to a better system reproducibility. The LCOF Raman intensity varies from sample to sample with sample absorption coefficient as well as the chemical concentration. This effect can add uncertainty to the concentration measurement. Biofluid samples from multiple patients vary a lot in absorption coefficient, which could cause as much as 20% uncertainty in concentration measurement

  15. ZORRO: zirconium oxide resonators for all-in-one Raman and whispering-gallery-mode optical sensing.

    Science.gov (United States)

    Bontempi, N; Vassalini, I; Danesi, S; Alessandri, I

    2017-09-25

    We report the observation of whispering-gallery modes in 2 μm-sized SiO2/ZrO2 core/shell beads utilized as all-dielectric Raman enhancers. This allows us to achieve simultaneous optical and Raman ultrasensitive detection with a single spectral analysis. This opportunity opens exciting perspectives for the multimodal chemical sensing and fabrication of optical fiber devices.

  16. An investigation on structural, vibrational and nonlinear optical ...

    Indian Academy of Sciences (India)

    The electron rich regions residing on all the oxygen atoms O1, O1W, O2, O3, and O3W represent the electronegative regions and so, these are the binding sites for electrophilic attack. The values of HOMO, LUMO and Frontier orbital energy gap are given in table 2. 3.4 Vibrational Assignments. 3.4a C-H Vibration: Generally, ...

  17. IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-aminouracil

    Science.gov (United States)

    Singh, J. S.

    2014-09-01

    Infrared (IR) and Raman spectra of uracil and 5-aminouracil have been recorded and analyzed between the region 200-4000 cm-1. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Using the Becke’s exchange in conjunction with Lee-Yang-Parr’s correlation functional and Becke’s three-parameter hybrid method (B3LYP), the ab initio and DFT calculations were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-aminouracil by employing Gaussian-03 program. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. In quantum chemical calculations, the most of B3LYP/6-311++G** vibrational frequencies are in the excellent agreement with available experimental assignments and helped in the reassignments of some fundamental vibrational modes. On the basis of calculated results, the assignments of some missing frequencies in the experimental study are proposed. Assuming under the Cs point group for both molecules, the distribution of normal mode of vibrations between the two species as planar (a‧) and non-planar (a″) are given by 25a‧ + 11a″, of which 30 modes (21a‧ + 9a″) correspond to the uracil moiety and 6 modes (4a‧ + 2a″) to the NH2 group. Kekule ring stretching mode is found to be comparatively higher frequency magnitude than the mode of uracil due to the involvement of hydrogen bonding of amino group. But, the ring breathing is found to be lower frequency magnitude compared to those for uracil which could be due to mass effect of the NH2 group in place of the hydrogen atom. All other bands have also been assigned different fundamentals/overtones/combinations.

  18. Structural, optical and Raman scattering studies on DC magnetron sputtered titanium dioxide thin films

    Energy Technology Data Exchange (ETDEWEB)

    Karunagaran, B.; Kim, Kyunghae; Mangalaraj, D.; Yi, Junsin [School of Information and Communication Engineering, Sungkyunkwan University, Chunchun-dong, Jangan-gu, Suwon 440-476 (Korea, Republic of); Velumani, S. [Coordinacion de Investigacion y Desarrollo de Ductos, IMP, Eje Central Lazaro Cardenas 152, D.F., C.P.07720 (Mexico)

    2005-07-15

    Thin films of TiO{sub 2} were deposited by DC magnetron sputtering. The thicknesses of the films were measured using alpha step profilometer technique. Auger electron spectroscopy (AES) is used to determine the composition of the films. The influence of post-deposition annealing at 673 and 773K on the structural, optical and Raman scattering was studied. The thicknesses of the films were found to be more or less the same irrespective of the annealing temperature and time. XRD results reveal the amorphous nature of the as-deposited film while the annealed samples were found to be crystalline with a tetragonal symmetry. Using the optical transmittance method, the optical constants such as band gap, refractive index and absorption coefficient were calculated and the influence of thermal annealing on these properties was reported. Raman study was employed to study the existence of different frequency modes and improvement of crystallinity of the TiO{sub 2} films and the effect of annealing temperature on the Raman shift is studied and reported.

  19. In-field Raman amplification on coherent optical fiber links for frequency metrology.

    Science.gov (United States)

    Clivati, C; Bolognini, G; Calonico, D; Faralli, S; Mura, A; Levi, F

    2015-04-20

    Distributed Raman amplification (DRA) is widely exploited for the transmission of broadband, modulated signals used in data links, but not yet in coherent optical links for frequency metrology, where the requirements are rather different. After preliminary tests on fiber spools, in this paper we deeper investigate Raman amplification on deployed in-field optical metrological links. We actually test a Doppler-stabilized optical link both on a 94 km-long metro-network implementation with multiplexed ITU data channels and on a 180 km-long dedicated fiber haul connecting two cities, where DRA is employed in combination with Erbium-doped fiber amplification (EDFA). The performance of DRA is detailed in both experiments, indicating that it does not introduce noticeable penalties for the metrological signal or for the ITU data channels. We hence show that Raman amplification of metrological signals can be compatible with a wavelength division multiplexing architecture and that it can be used as an alternative or in combination with dedicated bidirectional EDFAs. No deterioration is noticed in the coherence properties of the delivered signal, which attains frequency instability at the 10(-19) level in both cases. This study can be of interest also in view of the undergoing deployment of continental fiber networks for frequency metrology.

  20. Non-destructive Identification of Individual Leukemia Cells by Optical Trapping Raman Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chan, J W; Taylor, D S; Lane, S; Zwerdling, T; Tuscano, J; Huser, T

    2007-03-05

    Currently, a combination of technologies is typically required to assess the malignancy of cancer cells. These methods often lack the specificity and sensitivity necessary for early, accurate diagnosis. Here we demonstrate using clinical samples the application of laser trapping Raman spectroscopy as a novel approach that provides intrinsic biochemical markers for the noninvasive detection of individual cancer cells. The Raman spectra of live, hematopoietic cells provide reliable molecular fingerprints that reflect their biochemical composition and biology. Populations of normal T and B lymphocytes from four healthy individuals, and cells from three leukemia patients were analyzed, and multiple intrinsic Raman markers associated with DNA and protein vibrational modes have been identified that exhibit excellent discriminating power for cancer cell identification. A combination of two multivariate statistical methods, principal component analysis (PCA) and linear discriminant analysis (LDA), was used to confirm the significance of these markers for identifying cancer cells and classifying the data. The results indicate that, on average, 95% of the normal cells and 90% of the patient cells were accurately classified into their respective cell types. We also provide evidence that these markers are unique to cancer cells and not purely a function of differences in their cellular activation.

  1. Lattice vibrational modes and their frequency shifts in semiconductor nanowires.

    Science.gov (United States)

    Yang, Li; Chou, M Y

    2011-07-13

    We have performed first-principles calculations to study the lattice vibrational modes and their Raman activities in silicon nanowires (SiNWs). Two types of characteristic vibrational modes are examined: high-frequency optical modes and low-frequency confined modes. Their frequencies have opposite size dependence with a red shift for the optical modes and a blue shift for the confined modes as the diameter of SiNWs decreases. In addition, our calculations show that these vibrational modes can be detected by Raman scattering measurements, providing an efficient way to estimate the size of SiNWs.

  2. Z-scan measurements of the third-order optical nonlinearities and vibrational spectral studies by DFT computations on azo dye 1-(2-Methylphenylazo)-2-napthol

    Science.gov (United States)

    Sreenath, M. C.; Mathew, S.; Hubert Joe, I.; Rastogi, V. K.

    2017-12-01

    The nonlinear optical properties of azo dye 1-(2-Methylphenylazo)-2-napthol have been studied. The complete vibrational features and electronic absorption spectra of the title compound were analyzed by FT-IR, FT-Raman and UV-visible spectra combined with density functional theory and time-dependent density functional computations respectively. Nonlinear optical behavior was investigated by calculating the second-order hyperpolarizablity at DFT level. Third-order nonlinear optical parameters of 1-(2-Methylphenylazo)-2-napthol were measured using closed and open aperture Z-scan technique. The Z-scan result confirms, the dye exhibit self-focusing effect and the sign of the refractive nonlinearity is positive. The nonlinear refractive index (n2), nonlinear absorption coefficient (β), real and imaginary parts of third-order susceptibility (χ (3)) and second-order hyperpolarizability (γ) are calculated. The calculated results indicated that 1-(2-Methylphenylazo)-2-napthol have potential applications in optoelectronics and photonics.

  3. Single-ring hollow core optical fibers made by glass billet extrusion for Raman sensing.

    Science.gov (United States)

    Tsiminis, G; Rowland, K J; Schartner, E P; Spooner, N A; Monro, T M; Ebendorff-Heidepriem, H

    2016-03-21

    We report the fabrication of the first extruded hollow core optical fiber with a single ring of cladding holes, and its use in a chemical sensing application. These single suspended ring structures show antiresonance reflection optical waveguiding (ARROW) features in the visible part of the spectrum. The impact of preform pressurization on the geometry of these fibers is determined by the size of the different hole types in the preform. The fibers are used to perform Raman sensing of methanol, demonstrating their potential for future fiber sensing applications.

  4. Raman and infrared spectra, conformational stability, vibrational assignment and ab initio calculations of but-2-enoyl fluoride

    Science.gov (United States)

    Durig, James R.; Guirgis, Gamil A.; Jin, Yanping

    1996-06-01

    The Raman (3500-10 cm -1) and infrared (3200-50 cm -1 spectra have been recorded of the fluid and solid phases of but-2-enoyl fluoride (crotonyl fluoride) trans-CH 3CHCHCFO, where the methyl group is trans to the CFO group. From the variable temperature studies of the infrared spectrum of the sample dissolved in liquified Xe, the conformer pair at {836}/{827}cm-1 has been used to determine a ΔH value of 135 ± 11 cm -1 (387 ± 30 cal mol -1), with the s-cis ( syn) form (two double bonds oriented cis to one another) the more stable form. In the Raman and infrared spectra of the solid, the s-cis conformer seems predominant, but even with repeated annealing a spectrum free of signals from the s-trans ( anti) conformer could not be obtained. In fact, in some of the infrared spectra, there appeared to be a slight preference for the trans conformer. The asymmetric torsional fundamental of the s-trans conformer was observed at 104.3 cm -1 with two hot bands and that for the s-cis rotamer at 97.0 cm -1 with one hot band. From these data the potential function governing the conformational interchange was determined, and the potential coefficients are: V1 = -122 ± 1, V2 = 1993 ± 27, V3 = 21 ± 1 and V4 = -88 ± 8 cm -1. The s-trans to s-cis and s-cis to s-trans barriers were determined to be 2044 and 1942 cm -1, respectively, with an enthalpy difference between the conformers of 102 ± 29 cm -1(292 ± 83 cal mol -1). The barriers governing the internal rotation of the CH 3 group for the s-trans and s-cis conformers are calculated to be 1060 ± 17 cm -1 (3.03 ± 0.05 kcal mol -1) and 1042 ± 23 cm -1 (2.98 ± 0.07 kcal mol -1), respectively. A complete vibrational assignment of the normal modes is provided. The structural parameters, force constants, and vibrational frequencies have been determined from ab initio {RHF}/{3-21 G}, {RHF}/{6-31 G∗ } and {MP2 }/{6-31 G∗ } calculations, and the theoretical results are compared with the experimental values when appropriate

  5. Raman Scattering Study of Lattice Vibrations in the Type-II Superlattice InAs /InAs1 -xSbx

    Science.gov (United States)

    Liu, Henan; Zhang, Yong; Steenbergen, Elizabeth H.; Liu, Shi; Lin, Zhiyuan; Zhang, Yong-Hang; Kim, Jeomoh; Ji, Mi-Hee; Detchprohm, Theeradetch; Dupuis, Russell D.; Kim, Jin K.; Hawkins, Samuel D.; Klem, John F.

    2017-09-01

    The InAs /InAs1 -xSbx superlattice system distinctly differs from two well-studied superlattice systems GaAs /AlAs and InAs /GaSb in terms of electronic band alignment, common elements at the interface, and phonon spectrum overlapping of the constituents. This fact leads to the unique electronic and vibrational properties of the InAs /InAs1 -xSbx system when compared to the other two systems. In this work, we report a polarized Raman study of the vibrational properties of the InAs /InAs1 -xSbx superlattices (SLs) as well as selected InAs1 -xSbx alloys, all grown on GaSb substrates by either MBE or metalorganic chemical vapor deposition (MOCVD) from both the growth surface and cleaved edge. In the SL, from the (001) backscattering geometry, an InAs-like longitudinal optical (LO) mode is observed as the primary feature, and its intensity is found to increase with increasing Sb composition. From the (110) cleaved-edge backscattering geometry, an InAs-like transverse optical (TO) mode is observed as the main feature in two cross-polarization configurations, but an additional InAs-like "forbidden" LO mode is observed in two parallel-polarization configurations. The InAs1 -xSbx alloys lattice matched to the substrate (xSb˜0.09 ) grown by MBE are also found to exhibit the forbidden LO mode, implying the existence of some unexpected [001] modulation. However, the strained samples (xSb˜0.35 ) grown by MOCVD are found to behave like a disordered alloy. The primary conclusions are (1) the InAs-like LO or TO mode can be either a confined or quasiconfined mode in the InAs layers of the SL or extended mode of the whole structure depending on the Sb composition. (2) InAs /InAs1 -xSbx and InAs /GaSb SLs exhibit significantly different behaviors in the cleaved-edge geometry but qualitatively similar in the (001) geometry. (3) The appearance of the forbidden LO-like mode is a universal signature for SLs and bulk systems resulting from the mixing of phonon modes due to structural

  6. Compact holographic optical element-based electronic speckle pattern interferometer for rotation and vibration measurements

    Science.gov (United States)

    Bavigadda, Viswanath; Moothanchery, Mohesh; Pramanik, Manojit; Mihaylova, Emilia; Toal, Vincent

    2017-03-01

    An out-of-plane sensitive electronic speckle pattern interferometer (ESPI) using holographic optical elements (HOEs) for studying rotations and vibrations is presented. Phase stepping is implemented by modulating the wavelength of the laser diode in a path length imbalanced interferometer. The time average ESPI method is used for vibration measurements. Some factors influencing the measurements accuracy are reported. Some advantages and limitations of the system are discussed.

  7. Measurement of vibrations at different sections of rail through fiber optic sensors

    Science.gov (United States)

    Barreda, A.; Molina-Jiménez, T.; Valero, E.; Recuero, S.

    2012-02-01

    This paper presents the results of an investigation about how the vibration of railway vehicles affects nearby buildings. The overall objective is to study the vibration generated in urban environments by tram, train and subway, its transmission to the ground and how the buildings and constructions of the environment receive them. Vibrations can generate noise and vibrations in buildings. For this reason it is necessary to characterize the level of vibration affecting rail, road infrastructure and sidewalks and nearby buildings, to assess the influence of the train (speed, type, profile wheel ,..), rail (area of rolling) and route of step, and finally define interim corrective measures. In this study measurements of levels of energy and vibration excitation frequencies will be undertaken through optical techniques: optical fiber networks with distributed Bragg sensors. Measuring these vibrations in different configurations allows us to evaluate the suitability of different sections of rail for different types of uses or environments. This study aims to help improve the safety of the built environment in the vicinity of a railway operation, and thus increase the comfort for passengers and to reduce the environmental impact.

  8. Modified Nonlinear Inverse Synthesis for Optical Links with Distributed Raman Amplification

    CERN Document Server

    Le, Son T; Rosa, Pawel; Ania-Castanon, Juan D; Turitsyn, Sergei K

    2015-01-01

    Nonlinear Fourier transform (NFT) and eigenvalue communication with the use of nonlinear signal spectrum (both discrete and continuous), have been recently discussed as a promising transmission method to combat fiber nonlinearity impairments. However, because the NFT-based transmission method employs the integrability property of the lossless nonlinear Schr\\"odinger equation (NLSE), the original approach can only be applied directly to optical links with ideal distributed Raman amplification. In this paper, we investigate in details the impact of a non-ideal Raman gain profile on the performance of the nonlinear inverse synthesis (NIS) scheme, in which the transmitted information is encoded directly onto the continuous part of the nonlinear signal spectrum. We propose the lossless path-averaged (LPA) model for fiber links with non-ideal Raman gain profile by taking into account the average effect of the Raman gain. We show that the NIS scheme employing the LPA model can offer a performance gain of 3 dB regard...

  9. Vibrational assignments for the Raman and the phosphorescence spectra of 9,10-anthraquinone and 9,10-anthraquinone-d/sub 8//sup 1/. [Low temperature spectra

    Energy Technology Data Exchange (ETDEWEB)

    Lehmann, K.K.; Smolarek, J.; Khalil, O.S.; Goodman, L.

    1979-05-03

    The Raman spectra of 9,10-anthraquinone (AQ) and 9,10-anthraquinone-d/sub 8/ are examined. Raman band assignments are made from this data and from a published normal coordinate analysis. The Raman spectra of AQ at 5K is reported and vibrational assignments for the phosphorescence spectra of AQ in n-hexane at 4.2 K are reexamined in light of new /sup 3/B/sub 1//sub g/ ..-->.. /sup 1/A/sub g/ phosphorescence data. Contrary to previous work from this laboratory, it is concluded that although higher order vibronic interactions may be operative between the two closely spaced /sup 3/A/sub u/-/sup 3/B/sub 1//sub g/ electronic states, these interactions are not manifested in the phosphorescence spectra of AQ in n-hexane at 4.2 K.

  10. Confocal Raman microscopy supported by optical clearing treatment of the skin—influence on collagen hydration

    Science.gov (United States)

    Sdobnov, Anton Yu; Tuchin, Valery V.; Lademann, Juergen; E Darvin, Maxim

    2017-07-01

    Confocal Raman microscopy (CRM) is employed to study the skin physiology, drug permeation and skin disease monitoring. In order to increase the depth of investigations, the effect of optical clearing was observed on porcine ear skin ex vivo. The optical clearing agents (OCAs) glycerol and iohexol (Omnipaque™) were applied to the porcine ear skin and investigated by CRM after 30 and 60 min of treatment. The extent of optical clearing by utilizing concentrations of 70% glycerol and 100% Omnipaque™ was evaluated. The intensity of the skin-related Raman peaks significantly increased starting from the depth 160 µm for Omnipaque™ and 40 µm for glycerol (p  ⩽  0.05) after 60 min of treatment. The OCAs’ influence on the collagen hydration in the deep-located dermis was investigated. Both OCAs induce skin dehydration, but the effect of glycerol treatment (30 min and 60 min) is stronger. The obtained results demonstrate that with increasing the treatment time, both glycerol and Omnipaque™ solutions improve the optical clearing of porcine skin making the deep-located dermal regions able for investigations. At the used concentrations and time intervals, glycerol is more effective than Omnipaque™. However, Omnipaque™ is more promising than glycerol for future in vivo applications as it is an already approved pharmaceutic substance without any known impact on the skin structure.

  11. Interplay between Raman and polarization effects in next-generation passive optical networks.

    Science.gov (United States)

    Cantono, M; Curri, V; Mecozzi, A; Gaudino, R

    2015-06-01

    In this paper, we study in details some Raman-induced impairments that arise in Next-Generation Passive Optical Networks (NG-PON2) in a full coexistence scenario between GPON and TWDM-PON. The main new contribution of this paper is to take into account the polarization launches of the different signals at the transmitter, in order to find the best polarization arrangement. We found that launching the TWDM-PON wavelengths on alternately orthogonal polarization minimizes the Raman depletion effect on GPON over all possible PMD values, thus resulting in the optimal polarization launching condition, while any other polarization launch has a higher out of service probability for realistic PMD values.

  12. Four-Wave Optical Parametric Amplification in a Raman-Active Gas

    Directory of Open Access Journals (Sweden)

    Yuichiro Kida

    2015-08-01

    Full Text Available Four-wave optical parametric amplification (FWOPA in a Raman-active medium is experimentally investigated by use of an air-filled hollow fiber. A femtosecond pump pulse shorter than the period of molecular motion excites the coherent molecular motion of the Raman-active molecules during the parametric amplification of a signal pulse. The excited coherent motion modulates the frequency of the signal pulse during the parametric amplification, and shifts it to lower frequencies. The magnitude of the frequency redshift depends on the pump intensity, resulting in intensity-dependent spectral characteristics that are different from those in the FWOPA induced in a noble-gas-filled hollow fiber.

  13. Structural and Raman Vibrational Studies of CeO2-Bi2O3 Oxide System

    Directory of Open Access Journals (Sweden)

    L. Bourja

    2009-01-01

    Full Text Available A series of ceramics samples belonging to the CeO2-Bi2O3 phase system have been prepared via a coprecipitation route. The crystallized phases were obtained by heating the solid precursors at 600∘C for 6 hours, then quenching the samples. X-ray diffraction analyses show that for x<0.20 a solid solution Ce1−xBixO2−x/2 with fluorine structure is formed. For x ranging between 0.25 and 0.7, a tetragonal β′ phase coexisting with the FCC solid solution is observed. For x ranging between 0.8 and 0.9, a new tetragonal β phase appears. The β′ phase is postulated to be a superstructure of the β phase. Finally, close to x=1, the classical monoclinic α Bi2O3 structure is observed. Raman spectroscopy confirms the existence of the phase changes as x varies between 0 and 1.

  14. [Study of biological molecules in water by using the resonance raman spectra in liquid-core optical fiber].

    Science.gov (United States)

    Jia, Li-Hua; Wang, Yi-Ding; Sun, Cheng-Lin; Li, Zhan-Long; Li, Zuo-Wei; Wang, Li-Jun

    2009-10-01

    Raman spectrum is an important and effective method for the study of biological molecules in water. Measuring the Raman spectra for biological molecules in water, however, is very difficult because of the small Raman scattering cross section and the high electronic excitation energy of water molecules. In the present paper, the authors applied both technologies of liquid-core optical fiber and the resonance Raman spectra, then the intensity of Raman spectra was enhanced to a great extent. In this experiment, we chose the laser wavelength 514.5 of Ar+ ion laser as excitation laser, because we could obtain the maximal intensity of resonance Raman spectra at this wavelength. The experiment results show that, for the trace inspecting study of beta-carotene biological molecules in water, the concentration in the range of 10(-7)-10(-9) mol x L(-1) can be detected by quartz liquid-core optical fiber and the concentration in the range of 10(-9)-10(-10) mol x L(-1) by Teflon liquid-core optical fiber. The detecting utmost will be further reduced if improving the quality of optical fiber.

  15. Molecular structure and vibrational analysis of Trifluoperazine by FT-IR, FT-Raman and UV-Vis spectroscopies combined with DFT calculations.

    Science.gov (United States)

    Rajesh, P; Gunasekaran, S; Gnanasambandan, T; Seshadri, S

    2015-02-25

    The complete vibrational assignment and analysis of the fundamental vibrational modes of Trifluoperazine (TFZ) was carried out using the experimental FT-IR, FT-Raman and UV-Vis data and quantum chemical studies. The observed vibrational data were compared with the wavenumbers derived theoretically for the optimized geometry of the compound from the DFT-B3LYP gradient calculations employing 6-31G (d,p) basis set. Thermodynamic properties like entropy, heat capacity and enthalpy have been calculated for the molecule. The HOMO-LUMO energy gap has been calculated. The intramolecular contacts have been interpreted using natural bond orbital (NBO) and natural localized molecular orbital (NLMO) analysis. Important non-linear properties such as first hyperpolarizability of TFZ have been computed using B3LYP quantum chemical calculation. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. Characteristics of 1.9-μm laser emission from hydrogen-filled hollow-core fiber by vibrational stimulated Raman scattering

    Science.gov (United States)

    Gu, Bo; Chen, Yubin; Wang, Zefeng

    2016-12-01

    We report here the characteristics of 1.9-μm laser emission from a gas-filled hollow-core fiber by stimulated Raman scattering (SRS). A 6.5-m hydrogen-filled ice-cream negative curvature hollow-core fiber is pumped with a high peak-power, narrow linewidth, linearly polarized subnanosecond pulsed 1064-nm microchip laser, generating a pulsed vibrational Stokes wave at 1908.5 nm. The maximum quantum efficiency of about 48% is obtained, which is mainly limited by the mode mismatch between the pump laser beam and the Stokes wave in the hollow-core fiber. The linewidths of the pump laser and the first-order vibrational Stokes wave are measured to be about 1 and 2 GHz, respectively, by a scanning Fabry-Perot interferometer. The pressure selection phenomenon of the vibrational anti-Stokes waves is also investigated. The pulse duration of the vibrational Stokes wave is recorded to be narrower than that of the pump laser. The polarization properties of the hollow-core fiber and the polarization dependence of the vibrational and the rotational SRS are also studied. The beam profile of the vibrational Stokes wave shows good quality.

  17. Optical Gaussian beam interaction with one-dimensional thermal wave in the Raman-Nath configuration.

    Science.gov (United States)

    Bukowski, Roman J

    2009-03-01

    Optical Gaussian beam interaction with a one-dimensional temperature field in the form of a thermal wave in the Raman-Nath configuration is analyzed. For the description of the Gaussian beam propagation through the nonstationary temperature field the complex geometric optics method was used. The influence of the refractive coefficient modulation by thermal wave on the complex ray phase, path, and amplitude was taken into account. It was assumed that for detection of the modulated Gaussian beam parameters two types of detector can be used: quadrant photodiodes or centroidal photodiodes. The influence of such parameters as the size and position of the Gaussian beam waist, the laser-screen (detector) distance, the thermal wave beam position and width, as well as thermal wave frequency and the distance between the probing optical beam axis and source of thermal waves on the so-called normal signal was taken into account.

  18. The optical properties of a weak probe field in a graphene ensemble under Raman excitation

    Science.gov (United States)

    Raheli, Ali; Hamedi, H. R.; Sahrai, M.

    2016-06-01

    We investigate the coherent manipulation of certain optical properties in graphene under Raman excitation by using a density-matrix approach. It is shown that the absorption and dispersion, the group velocity, and the transmission coefficient of the probe field can be efficiently controlled through proper adjustment of the intensity and frequency detuning of the control field. In addition, the optical bistability (OB) behavior is explored for the proposed system. It is found that the bistable threshold intensity and related hysteresis loop of OB can be controlled by the parameters of the system. The results obtained may be used in real experiments for the development of new types of nanoelectronic devices used for the realization of all-optical switching processes.

  19. Vibration Monitoring Using Fiber Optic Sensors in a Lead-Bismuth Eutectic Cooled Nuclear Fuel Assembly.

    Science.gov (United States)

    De Pauw, Ben; Lamberti, Alfredo; Ertveldt, Julien; Rezayat, Ali; van Tichelen, Katrien; Vanlanduit, Steve; Berghmans, Francis

    2016-04-21

    Excessive fuel assembly vibrations in nuclear reactor cores should be avoided in order not to compromise the lifetime of the assembly and in order to prevent the occurrence of safety hazards. This issue is particularly relevant to new reactor designs that use liquid metal coolants, such as, for example, a molten lead-bismuth eutectic. The flow of molten heavy metal around and through the fuel assembly may cause the latter to vibrate and hence suffer degradation as a result of, for example, fretting wear or mechanical fatigue. In this paper, we demonstrate the use of optical fiber sensors to measure the fuel assembly vibration in a lead-bismuth eutectic cooled installation which can be used as input to assess vibration-related safety hazards. We show that the vibration characteristics of the fuel pins in the fuel assembly can be experimentally determined with minimal intrusiveness and with high precision owing to the small dimensions and properties of the sensors. In particular, we were able to record local strain level differences of about 0.2 μϵ allowing us to reliably estimate the vibration amplitudes and modal parameters of the fuel assembly based on optical fiber sensor readings during different stages of the operation of the facility, including the onset of the coolant circulation and steady-state operation.

  20. Development of microcontroller-based acquisition and processing unit for fiber optic vibration sensor

    Science.gov (United States)

    Suryadi; Puranto, P.; Adinanta, H.; Waluyo, T. B.; Priambodo, P. S.

    2017-04-01

    Microcontroller based acquisition and processing unit (MAPU) has been developed to measure vibration signal from fiber optic vibration sensor. The MAPU utilizes a 32-bit ARM microcontroller to perform acquisition and processing of the input signal. The input signal is acquired with 12 bit ADC and processed using FFT method to extract frequency information. Stability of MAPU is characterized by supplying a constant input signal at 500 Hz for 29 hours and shows a stable operation. To characterize the frequency response, input signal is swapped from 20 to 1000 Hz with 20 Hz interval. The characterization result shows that MAPU can detect input signal from 20 to 1000 Hz with minimum signal of 4 mV RMS. The experiment has been set that utilizes the MAPU with singlemode-multimode-singlemode (SMS) fiber optic sensor to detect vibration which is induced by a transducer in a wooden platform. The experimental result indicates that vibration signal from 20 to 600 Hz has been successfully detected. Due to the limitation of the vibration source used in the experiment, vibration signal above 600 Hz is undetected.

  1. Vibration Monitoring Using Fiber Optic Sensors in a Lead-Bismuth Eutectic Cooled Nuclear Fuel Assembly

    Directory of Open Access Journals (Sweden)

    Ben De Pauw

    2016-04-01

    Full Text Available Excessive fuel assembly vibrations in nuclear reactor cores should be avoided in order not to compromise the lifetime of the assembly and in order to prevent the occurrence of safety hazards. This issue is particularly relevant to new reactor designs that use liquid metal coolants, such as, for example, a molten lead-bismuth eutectic. The flow of molten heavy metal around and through the fuel assembly may cause the latter to vibrate and hence suffer degradation as a result of, for example, fretting wear or mechanical fatigue. In this paper, we demonstrate the use of optical fiber sensors to measure the fuel assembly vibration in a lead-bismuth eutectic cooled installation which can be used as input to assess vibration-related safety hazards. We show that the vibration characteristics of the fuel pins in the fuel assembly can be experimentally determined with minimal intrusiveness and with high precision owing to the small dimensions and properties of the sensors. In particular, we were able to record local strain level differences of about 0.2 μϵ allowing us to reliably estimate the vibration amplitudes and modal parameters of the fuel assembly based on optical fiber sensor readings during different stages of the operation of the facility, including the onset of the coolant circulation and steady-state operation.

  2. Vibration measurements on the Phalanx electro-optical stabilization system

    OpenAIRE

    Schmidt, James E.

    1996-01-01

    Approved for public release; distribution is unlimited The installation of the new PHALANX Surface Mode (PSUM) upgrade will enable the PHALANX to handle a wider range of threats, such as a small boat approaching the ship. The objective of the research described in this thesis was to measure the vibration of a prototype forward looking infrared (FLIR) camera stabilizer system during live-fire tests to evaluate its performance. Uniaxial, triaxial, and angular accelerometers were mounted at 1...

  3. A miniaturized ferrule-top optical cantilever for vibration measurement

    Science.gov (United States)

    Li, J.; Xu, S. M.; Sun, J. N.; Tang, Y. Q.; Dong, F. Z.

    2017-04-01

    In this paper, we propose techniques to design and fabricate polymer micro-cantilevers for attachment onto the end of standard single mode fibers using laser machining. The polymer cantilever is fabricated by laser micro-machining a sheet of polymer into the required shape and then bonded onto the top of a ceramic ferrule by photo resist as a flat supporting and bonding layer. The dimension of resulting cantilever is 1.2 mm long, 300 μm wide, and 25 μm thick. In this work we describe the fabrication of single sensors, however the process could be scaled to offer a route towards mass production. Cantilever vibration caused by vibration signal are monitored by a DFB laser based phase interrogation system. Proof-of-concept experiments show that the sensor is capable of detecting vibration signal with a frequency range of 0-800Hz. By using thinner polymer sheet and machining longer cantilever, the frequency response range can be extended up to a few kHz.

  4. Vibration measurement on composite material with embedded optical fiber based on phase-OTDR

    Science.gov (United States)

    Franciscangelis, C.; Margulis, W.; Floridia, C.; Rosolem, J. B.; Salgado, F. C.; Nyman, T.; Petersson, M.; Hallander, P.; Hällstrom, S.; Söderquist, I.; Fruett, F.

    2017-04-01

    Distributed sensors based on phase-optical time-domain reflectometry (phase-OTDR) are suitable for aircraft health monitoring due to electromagnetic interference immunity, small dimensions, low weight and flexibility. These features allow the fiber embedment into aircraft structures in a nearly non-intrusive way to measure vibrations along its length. The capability of measuring vibrations on avionics structures is of interest for what concerns the study of material fatigue or the occurrence of undesirable phenomena like flutter. In this work, we employed the phase-OTDR technique to measure vibrations ranging from some dozens of Hz to kHz in two layers of composite material board with embedded polyimide coating 0.24 numerical aperture single-mode optical fiber.

  5. Simultaneous fingerprint and high-wavenumber fiber-optic Raman endoscopy for in vivo diagnosis of laryngeal cancer

    Science.gov (United States)

    Lin, Kan; Zheng, Wei; Wang, Jianfeng; Lim, Chwee Ming; Huang, Zhiwei

    2016-02-01

    We report a unique simultaneous fingerprint (FP) and high-wavenumber (HW) fiber-optic confocal Raman spectroscopy for in vivo diagnosis of laryngeal cancer in the head and neck under wide-field endoscopic imaging. The simultaneous FP and HW Raman endoscopy technique was performed on 21 patients and differentiated laryngeal carcinoma from normal tissues with both sensitivity and specificity of ~85%. This study shows the great potential of the FP/HW Raman endoscopic technique developed for in vivo diagnosis of laryngeal carcinoma during routine endoscopic examination.

  6. Raman and loss induced quantum noise in depleted fiber optical parametric amplifiers

    DEFF Research Database (Denmark)

    Friis, Søren Michael Mørk; Rottwitt, Karsten; McKinstrie, C. J.

    2013-01-01

    -sensitive amplifiers. We show that the model agrees with earlier fully quantum approaches in the linear gain regime, whereas in the saturated gain regime, in which the classical equations are valid, we predict that the amplifier increases the signal-to-noise ratio by generating an amplitude-squeezed state of light......We present a semi-classical approach for predicting the quantum noise properties of fiber optical parametric amplifiers. The unavoidable contributors of noise, vacuum fluctuations, loss-induced noise, and spontaneous Raman scattering, are included in the analysis of both phase-insensitive and phase...

  7. Raman and optical characterization of multilayer turbostratic graphene grown via chemical vapor deposition

    OpenAIRE

    Lenski, Daniel R.; Fuhrer, Michael S.

    2010-01-01

    We synthesize large-area graphene via atmospheric-pressure (AP) chemical vapor deposition (CVD) on copper, and transfer to SiO2 wafers. In contrast to low-pressure (LP) CVD on copper, optical contrast and atomic force microscopy measurements show AP-CVD graphene contains significant multi-layer areas. Raman spectroscopy always shows a single Lorentzian 2D peak, however systematic differences are observed in the 2D peak energy, width, and intensity for single- and multi-layer regions. We concl...

  8. Quantum-fluctuation-initiated coherence in multioctave Raman optical frequency combs.

    Science.gov (United States)

    Wang, Y Y; Wu, Chunbai; Couny, F; Raymer, M G; Benabid, F

    2010-09-17

    We show experimentally and theoretically that the spectral components of a multioctave frequency comb spontaneously created by stimulated Raman scattering in a hydrogen-filled hollow-core photonic crystal fiber exhibit strong self-coherence and mutual coherence within each 12 ns driving laser pulse. This coherence arises in spite of the field's initiation being from quantum zero-point fluctuations, which causes each spectral component to show large phase and energy fluctuations. This points to the possibility of an optical frequency comb with nonclassical correlations between all comb lines.

  9. Prof. C. V. Raman | History | About IASc | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Sc. Work in Vibrations and Musical Instruments, Geometrical and Wave Optics, Light and X-ray Scattering, Physics of Crystals, Colour. Best known for the Phenomenon of inelastic light scattering named the 'Raman effect' after him. Large body of experimental work was concerned with waves - wave motions of vibrating ...

  10. Vibrational spectroscopic characterisation of salmeterol xinafoate polymorphs and a preliminary investigation of their transformation using simultaneous in situ portable Raman spectroscopy and differential scanning calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Ali, Hassan Refat H. [Chemical and Forensic Sciences/University Analytical Centre, School of Life Sciences, University of Bradford, Richmond Road, Bradford BD7 1DP (United Kingdom); Edwards, Howell G.M. [Chemical and Forensic Sciences/University Analytical Centre, School of Life Sciences, University of Bradford, Richmond Road, Bradford BD7 1DP (United Kingdom)], E-mail: H.G.M.Edwards@bradford.ac.uk; Hargreaves, Michael D.; Munshi, Tasnim; Scowen, Ian J.; Telford, Richard J. [Chemical and Forensic Sciences/University Analytical Centre, School of Life Sciences, University of Bradford, Richmond Road, Bradford BD7 1DP (United Kingdom)

    2008-07-14

    Knowledge and control of the polymorphic phases of chemical compounds are important aspects of drug development in the pharmaceutical industry. Salmeterol xinafoate, a long acting {beta}-adrenergic receptor agonist, exists in two polymorphic Forms, I and II. Raman and near infrared spectra were obtained of these polymorphs at selected wavelengths in the range of 488-1064 nm; significant differences in the Raman and near-infrared spectra were apparent and key spectral marker bands have been identified for the vibrational spectroscopic characterisation of the individual polymorphs which were also characterised with X ray diffractometry. The solid-state transition of salmeterol xinafoate polymorphs was studied using simultaneous in situ portable Raman spectroscopy and differential scanning calorimetry isothermally between transitions. This method assisted in the unambiguous characterisation of the two polymorphic forms by providing a simultaneous probe of both the thermal and vibrational data. The study demonstrates the value of a rapid in situ analysis of a drug polymorph which can be of potential value for at-line in-process control.

  11. FT-IR, FT-Raman and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 1-(m-(trifluoromethyl)phenyl)piperazine.

    Science.gov (United States)

    Prabavathi, N; Nilufer, A; Krishnakumar, V

    2014-01-01

    The FTIR and FT-Raman spectra of 1-(m-(trifluoromethyl)phenyl)piperazine [TFMPP] have been recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1), respectively. The optimized geometry, frequency and intensity of the vibrational bands of the compound was obtained by the density functional theory using 6-311++G(d,p) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with experimental FTIR and FT-Raman spectra. The observed and the calculated frequencies are found to be in good agreement. A detailed interpretation of the infrared and Raman spectra were also reported based on potential energy distribution (PED). UV-Vis spectrum of the compound was recorded and the electronic properties HOMO and LUMO energies were measured by TD-DFT approach. Furthermore, molecular electrostatic potential is performed and also the calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Vibration Isolation Platform for Long Range Optical Communications Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Optical communication links provide higher data transfer rates with lower mass, power, and volume than conventional radio-frequency links. For deep space...

  13. A new methodology for vibration error compensation of optical encoders

    National Research Council Canada - National Science Library

    Lopez, Jesus; Artes, Mariano

    2012-01-01

    Optical encoders are sensors based on grating interference patterns. Tolerances inherent to the manufacturing process can induce errors in the position accuracy as the measurement signals stand apart from the ideal conditions...

  14. Influence of curvature strain and Van der Waals force on the inter-layer vibration mode of WS2 nanotubes: A confocal micro-Raman spectroscopic study

    Science.gov (United States)

    Wang, Xiao Hu; Zheng, Chang Cheng; Ning, Ji Qiang

    2016-01-01

    Transition-metal dichalcogenides (TMDs) nanostructures including nanotubes and monolayers have attracted great interests in materials science, chemistry to condensed matter physics. We present an interesting study of the vibration modes in multi-walled tungsten sulfide (WS2) nanotubes prepared via sulfurizing tungsten oxide (WO3) nanowires which are investigated by confocal micro-Raman spectroscopy. The inter-layer vibration mode of WS2 nanotubes, A1g, is found to be sensitive to the diameter and curvature strain, while the in-plane vibration mode, E12g, is not. A1g mode frequency shows a redshift by 2.5 cm−1 for the multi-layered nanotubes with small outer-diameters, which is an outcome of the competition between the Van der Waals force stiffening and the curvature strain softening. We also show that the Raman peak intensity ratio is significantly different between the 1–2 wall layered nanotubes and monolayer flat sheets. PMID:27620879

  15. Electron paramagnetic resonance, optical absorption, IR and Raman spectral studies on pelecypod shell

    Science.gov (United States)

    Lakshmi Reddy, S.; Reddy, K. N. M.; Siva Reddy, G.; Reddy, B. J.; Frost, R. L.; Endo, Tamio

    2008-02-01

    Pelecypod shell originated from Kolleru lake of Andhra Pradesh is used in the present work. It contains Mn(II) and Fe(III) in traces. The EPR spectrum of the compound is due to Mn(II) which is in three independent sites. The three g values are evaluated with slight differences. The hyperfine component varies from 9.33 to 9.49 mT. The zero field splitting parameter is also ranges from 43.8(1) to 44.1(1) mT. Using the covalence parameter the number of ligands around metal is estimated as 20. In EPR spectrum Fe(III) is identified. The optical absorption spectrum is attributed to Mn(II) in octahedral geometry. Further 10 Dq band is attributed to Fe(II) in the optical absorption spectrum. NIR spectral results are due to water fundamentals, whereas IR and Raman spectrum is due to carbonate ion fundamentals.

  16. Experimental evidence for Raman-induced limits to efficient squeezing in optical fibers

    DEFF Research Database (Denmark)

    Dong, R.; Heersink, J.; Corney, J.

    2008-01-01

    polarization squeezing as a function of optical pulse energy, which spans a wide range from 3.5-178.8 pJ, shows a very good agreement with the quantum simulations and for the first time we see the experimental proof that Raman effects limit and reduce squeezing at high pulse energy.......We report new experiments on polarization squeezing using ultrashort photonic pulses in a single pass of a birefringent fiber. We measure what is to our knowledge a record squeezing of -6.8 +/- 0.3 dB in optical fibers which when corrected for linear losses is -10.4 +/- 0.8 dB. The measured...

  17. Raman fiber-optical method for colon cancer detection: Cross-validation and outlier identification approach

    Science.gov (United States)

    Petersen, D.; Naveed, P.; Ragheb, A.; Niedieker, D.; El-Mashtoly, S. F.; Brechmann, T.; Kötting, C.; Schmiegel, W. H.; Freier, E.; Pox, C.; Gerwert, K.

    2017-06-01

    Endoscopy plays a major role in early recognition of cancer which is not externally accessible and therewith in increasing the survival rate. Raman spectroscopic fiber-optical approaches can help to decrease the impact on the patient, increase objectivity in tissue characterization, reduce expenses and provide a significant time advantage in endoscopy. In gastroenterology an early recognition of malign and precursor lesions is relevant. Instantaneous and precise differentiation between adenomas as precursor lesions for cancer and hyperplastic polyps on the one hand and between high and low-risk alterations on the other hand is important. Raman fiber-optical measurements of colon biopsy samples taken during colonoscopy were carried out during a clinical study, and samples of adenocarcinoma (22), tubular adenomas (141), hyperplastic polyps (79) and normal tissue (101) from 151 patients were analyzed. This allows us to focus on the bioinformatic analysis and to set stage for Raman endoscopic measurements. Since spectral differences between normal and cancerous biopsy samples are small, special care has to be taken in data analysis. Using a leave-one-patient-out cross-validation scheme, three different outlier identification methods were investigated to decrease the influence of systematic errors, like a residual risk in misplacement of the sample and spectral dilution of marker bands (esp. cancerous tissue) and therewith optimize the experimental design. Furthermore other validations methods like leave-one-sample-out and leave-one-spectrum-out cross-validation schemes were compared with leave-one-patient-out cross-validation. High-risk lesions were differentiated from low-risk lesions with a sensitivity of 79%, specificity of 74% and an accuracy of 77%, cancer and normal tissue with a sensitivity of 79%, specificity of 83% and an accuracy of 81%. Additionally applied outlier identification enabled us to improve the recognition of neoplastic biopsy samples.

  18. Raman fiber-optical method for colon cancer detection: Cross-validation and outlier identification approach.

    Science.gov (United States)

    Petersen, D; Naveed, P; Ragheb, A; Niedieker, D; El-Mashtoly, S F; Brechmann, T; Kötting, C; Schmiegel, W H; Freier, E; Pox, C; Gerwert, K

    2017-06-15

    Endoscopy plays a major role in early recognition of cancer which is not externally accessible and therewith in increasing the survival rate. Raman spectroscopic fiber-optical approaches can help to decrease the impact on the patient, increase objectivity in tissue characterization, reduce expenses and provide a significant time advantage in endoscopy. In gastroenterology an early recognition of malign and precursor lesions is relevant. Instantaneous and precise differentiation between adenomas as precursor lesions for cancer and hyperplastic polyps on the one hand and between high and low-risk alterations on the other hand is important. Raman fiber-optical measurements of colon biopsy samples taken during colonoscopy were carried out during a clinical study, and samples of adenocarcinoma (22), tubular adenomas (141), hyperplastic polyps (79) and normal tissue (101) from 151 patients were analyzed. This allows us to focus on the bioinformatic analysis and to set stage for Raman endoscopic measurements. Since spectral differences between normal and cancerous biopsy samples are small, special care has to be taken in data analysis. Using a leave-one-patient-out cross-validation scheme, three different outlier identification methods were investigated to decrease the influence of systematic errors, like a residual risk in misplacement of the sample and spectral dilution of marker bands (esp. cancerous tissue) and therewith optimize the experimental design. Furthermore other validations methods like leave-one-sample-out and leave-one-spectrum-out cross-validation schemes were compared with leave-one-patient-out cross-validation. High-risk lesions were differentiated from low-risk lesions with a sensitivity of 79%, specificity of 74% and an accuracy of 77%, cancer and normal tissue with a sensitivity of 79%, specificity of 83% and an accuracy of 81%. Additionally applied outlier identification enabled us to improve the recognition of neoplastic biopsy samples. Copyright

  19. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine)

    Science.gov (United States)

    Singh, J. S.

    2015-02-01

    FT-IR (400-4000 cm-1) and Raman spectra (200-4000 cm-1) of uracil and 5-methyluracil (thymine) have been recorded and analyzed. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Using the Becke's exchange in conjunction with Lee-Yang-Parr's correlation functional and Becke's three-parameter hybrid method (B3LYP), the ab initio and DFT calculations were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-methyluracil (thymine) by employing Gaussian-03 program. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. In quantum chemical calculations, most of the B3LYP/6-311++G∗∗ vibrational frequencies are in excellent agreement with the available experimental assignments and helped to propose in the reassignments of some missing frequencies in experimental study. Assuming under the Cs point group for both molecules, the distribution of normal mode of vibrations between the two species as planar (a‧) and non-planar (a″) for all 39 normal vibrational modes of 5-methyluracil are given by 26a‧ + 13a″, of which 30 modes (21a‧ + 9a″) correspond to the uracil moiety and 9 modes (5a‧ + 4a″) to the CH3 group. Consistent assignments have been made for the internal modes of CH3 group, especially for the anti-symmetric CH3 stretching and bending modes. A possible explanation could be the planarity of pyrimidine ring and non-planarity at carbon site of methyl group which might cause the splitting of frequencies including three components due to the substitution of CH3 group at the site of C5 atom on pyrimidine ring of uracil. The three non-equivalent CH bonds of CH3

  20. High temperature measurements in irradiated environment using Raman fiber optics distributed temperature sensing

    Science.gov (United States)

    Lecomte, Pierre; Blairon, Sylvain; Boldo, Didier; Taillade, Frédéric; Caussanel, Matthieu; Beauvois, Gwendal; Duval, Hervé; Grieu, Stéphane; Laffont, Guillaume; Lainé, Frédéric; Carrel, Frédéric

    2016-04-01

    Optical fiber temperature sensors using Raman effect are a promising technology for temperature mapping of nuclear power plant pipes. These pipes are exposed to high temperature (350 °C) and gamma radiations, which is a harsh environment for standard telecom fibers. Therefore metal coated fibers are to be used to perform measurement over 300 °C. Temperature variations can affect the attenuation of the metallic coated fiber before irradiation. The latter induces an extra attenuation, due to light absorption along the fiber by radiation-induced defects. The recombination of these defects can be strongly accelerated by the high temperature value. As backscattered Raman signal is weak it is important to test optical fibers under irradiation to observe how it gets attenuated. Different experiments are described in this conference paper: two in situ irradiation campaigns with different dose rates at, both ambient and high temperature. We observe that the tested off-the-shelf metallic coated fibers have a high attenuation under irradiation. We also noticed the fact that thermal annealing plays a massive role in the +300 °C temperature range.

  1. Structural, electronic, vibrational and optical properties of Bin clusters

    Science.gov (United States)

    Liang, Dan; Shen, Wanting; Zhang, Chunfang; Lu, Pengfei; Wang, Shumin

    2017-10-01

    The neutral, anionic and cationic bismuth clusters with the size n up to 14 are investigated by using B3LYP functional within the regime of density functional theory and the LAN2DZ basis set. By analysis of the geometries of the Bin (n = 2-14) clusters, where cationic and anionic bismuth clusters are largely similar to those of neutral ones, a periodic effect by adding units with one to four atoms into smaller cluster to form larger cluster is drawn for the stable structures of bismuth clusters. An even-odd alteration is shown for the properties of the clusters, such as the calculated binding energies and dissociation energies, as well as frontier orbital energies, electron affinities, ionization energies. All the properties indicate that the Bi4 cluster is the most possible existence in bismuth-containing materials, which supports the most recent experiment. The orbital compositions, infrared and Raman activities and the ultraviolet absorption of the most possible tetramer bismuth cluster are given in detail to reveal the periodic tendency of adding bismuth atoms and the stability of tetramer bismuth cluster.

  2. Analysis of structure and vibrational dynamics of the BeTe(001) surface using X-ray diffraction, Raman spectroscopy, and density functional theory

    DEFF Research Database (Denmark)

    Kumpf, C.; Müller, A.; Weigand, W.

    2003-01-01

    in the underlying Te layer. The Be-rich surface exhibits a (4 X 1) periodicity with alternating Te dimers and Te-Be-Te trimers. A vibration eigenfrequency of 165 cm(-1) is observed for the Te-rich surface, while eigenmodes at 157 and 188 cm(-1) are found for the Be-rich surface. The experimentally derived atomic......The atomic structure and lattice dynamics of epitaxial BeTe(001) thin films are derived from surface x-ray diffraction and Raman spectroscopy. On the Te-rich BeTe(001) surface [1 (1) over bar0]-oriented Te dimers are identified. They cause a (2 X 1) superstructure and induce a pronounced buckling...... geometry and the vibration modes are in very good agreement with the results of density functional theory calculations....

  3. An experimental study of the structural and vibrational properties of sesquiterpene lactone cnicin using FT-IR, FT-Raman, UV-visible and NMR spectroscopies

    Science.gov (United States)

    Chain, Fernando; Romano, Elida; Leyton, Patricio; Paipa, Carolina; Catalán, César Atilio Nazareno; Fortuna, Mario Antonio; Brandán, Silvia Antonia

    2014-05-01

    An experimental and theoretical investigation of cnicin is presented, combining the use of infrared, Raman, NMR and UV-visible spectroscopies with density functional theory (DFT) that employs hybrid B3LYP exchange correlation functional and a 6-31G∗ basis set. The molecular electrostatic potentials, atomic charges, bond orders, stabilization energies, topological properties and energy gap are presented by performing NBO, AIM and HOMO-LUMO calculations at the same level of theory as cnicin. A complete vibrational compound assignment was performed by employing internal coordinate analysis and a scaled quantum mechanical force field (SQMFF) methodology. Comparisons between the theoretical and experimental vibrational and ultraviolet-visible spectra show a strong concordance. The geometrical parameters and NBO studies suggest a probable negative Cotton effect for cnicin, which can be attributed to the π → π∗ transition for an α,β-unsaturated γ-lactone, as reported in the literature.

  4. Optical reflectivity and Raman scattering in few-layer-thick graphene highly doped by K and Rb.

    Science.gov (United States)

    Jung, Naeyoung; Kim, Bumjung; Crowther, Andrew C; Kim, Namdong; Nuckolls, Colin; Brus, Louis

    2011-07-26

    We report the optical reflectivity and Raman scattering of few layer (L) graphene exposed to K and Rb vapors. Samples many tens of layers thick show the reflectivity and Raman spectra of the stage 1 bulk alkali intercalation compounds (GICs) KC(8) and RbC(8). However, these bulk optical and Raman properties only begin to appear in samples more than about 15 graphene layers thick. The 1 L to 4 L alkali exposed graphene Raman spectra are profoundly different than the Breit-Wigner-Fano (BWF) spectra of the bulk stage 1 compounds. Samples less than 10 layers thick show Drude-like plasma edge reflectivity dip in the visible; alkali exposed few layer graphenes are significantly more transparent than intrinsic graphene. Simulations show the in-plane free electron density is lower than in the bulk stage 1 GICs. In few layer graphenes, alkalis both intercalate between layers and adsorb on the graphene surfaces. Charge transfer electrically dopes the graphene sheets to densities near and above 10(+14) electrons/cm(2). New intrinsic Raman modes at 1128 and 1264 cm(-1) are activated by in-plane graphene zone folding caused by strongly interacting, locally crystalline alkali adlayers. The K Raman spectra are independent of thickness for L = 1-4, indicating that charge transfer from adsorbed and intercalated K layers are similar. The Raman G mode is downshifted and significantly broadened from intrinsic graphene. In contrast, the Rb spectra vary strongly with L and show increased doping by intercalated alkali as L increases. Rb adlayers appear to be disordered liquids, while intercalated layers are locally crystalline solids. A significant intramolecular G mode electronic resonance Raman enhancement is observed in K exposed graphene, as compared with intrinsic graphene.

  5. Enhancement of response of a bistable VCSEL to modulated orthogonal optical feedback by vibrational resonance.

    Science.gov (United States)

    Chizhevsky, V N

    2012-11-01

    It is experimentally demonstrated that the response of a bistable vertical-cavity surface-emitting laser at a selected polarization to the effect of the modulated optical feedback at the orthogonal polarization can be considerably enhanced by the additional periodic current modulation via vibrational resonance. It shows up as a nonmonotonic dependence of the response at the frequency of the modulated optical feedback as a function of the amplitude of the current modulation. In such conditions the laser response can be amplified more than 80 times for a weak optical feedback. At the optimal amplitude of the current modulation a complete synchronization of optical switchings between polarization states with modulated optical feedback is observed. The effect of asymmetry of a bistable quasi-potential is also experimentally demonstrated.

  6. Optical quasi-distributed simultaneous vibration and temperature sensing in stator bars of a 370-MVA electric generator

    Science.gov (United States)

    Dreyer, Uilian José; Vagner da Silva, Erlon; Martelli, Cicero; Cardozo da Silva, Jean Carlos

    2017-08-01

    In this paper, we propose a new multiparametric optical fiber transducer applied to an electric generator of 370 MVA. The optical transducer has three multiplexed FBGs in the same optical fiber as the sensing element. The FBG sensors can simultaneously measure both the temperature and vibration independently of the other multiplexed FBGs. The installation in the power plant was performed using six transducers and it was obtained 23 hours of simultaneous vibration and temperature measurement. All the FBGs used to monitor generator vibration were able to monitor the frequency of mechanical and electromagnetic vibrations, which were measured at 2 Hz and 120 Hz, respectively. During the measurement, the machine was turned off due to a failure and all the FBGs sensed temperature changes, as well as frequency vibration changes. The largest temperature difference measured between the FBGs during the test is approximately 2°C.

  7. DMD-based software-configurable spatially-offset Raman spectroscopy for spectral depth-profiling of optically turbid samples.

    Science.gov (United States)

    Liao, Zhiyu; Sinjab, Faris; Gibson, Graham; Padgett, Miles; Notingher, Ioan

    2016-06-13

    Spectral depth-profiling of optically turbid samples is of high interest to a broad range of applications. We present a method for measuring spatially-offset Raman spectroscopy (SORS) over a range of length scales by incorporating a digital micro-mirror device (DMD) into a sample-conjugate plane in the detection optical path. The DMD can be arbitrarily programmed to collect/reject light at spatial positions in the 2D sample-conjugate plane, allowing spatially offset Raman measurements. We demonstrate several detection geometries, including annular and simultaneous multi-offset modalities, for both macro- and micro-SORS measurements, all on the same instrument. Compared to other SORS modalities, DMD-based SORS provides more flexibility with only minimal additional experimental complexity for subsurface Raman collection.

  8. Research on signal demodulation technology of Mach-Zehnder optical fiber sensor vibration system

    Science.gov (United States)

    Liu, Juncheng; Cheng, Pengshen; Hu, Tong

    2017-08-01

    Mach-Zehnder (M-Z) interferometer is frequently used in optical fiber vibration system. And signal demodulation technology plays an important role in the signal processing of M-Z optical fiber vibration system. In order to accurately get the phase information of the vibration signals, the signal demodulation technique based on M-Z interference principle is studied. In this paper, by analyzing the principles of 3 × 3 fiber coupler homodyne demodulation method and phase-generating carrier (PGC) technology, the advantages and disadvantages of the two demodulation methods for different vibration signal are presented. Then the method of judging signal strength is proposed. The correlation between the demodulation effects and strength of the perturbation signals is analyzed. Finally, the simulation experiments are carried out to compare the demodulation effects of the two demodulation methods, the results demonstrate that PGC demodulation technology has great advantages in weak signals, and the 3 × 3 fiber coupler is more suitable for strong signals.

  9. A Method Using Optical Contactless Displacement Sensors to Measure Vibration Stress of Small-Bore Piping.

    Science.gov (United States)

    Maekawa, Akira; Tsuji, Takashi; Takahashi, Tsuneo; Noda, Michiyasu

    2014-02-01

    In nuclear power plants, vibration stress of piping is frequently evaluated to prevent fatigue failure. A simple and fast measurement method is attractive to evaluate many piping systems efficiently. In this study, a method to measure the vibration stress using optical contactless displacement sensors was proposed, the prototype instrument was developed, and the instrument practicality for the method was verified. In the proposed method, light emitting diodes (LEDs) were used as measurement sensors and the vibration stress was estimated by measuring the deformation geometry of the piping caused by oscillation, which was measured as the piping curvature radius. The method provided fast and simple vibration estimates for small-bore piping. Its verification and practicality were confirmed by vibration tests using a test pipe and mock-up piping. The stress measured by both the proposed method and an accurate conventional method using strain gauges were in agreement, and it was concluded that the proposed method could be used for actual plant piping systems.

  10. Optical, microstructural, vibrational, and theoretical studies of p-type SrCu2O2 and BaCu2O2 transparent conductive oxides

    Science.gov (United States)

    Even, J.; Pedesseau, L.; Modreanu, M.; Huyberechts, G.; Servet, B.; Garry, Guy; Chaix-Pluchery, O.; Durand, O.

    2013-03-01

    Transparent conducting metal oxides (TCO) are unusual semiconducting materials displaying transparency to visible light. TCO materials are used for electrostatic shielding, antistatic screens, transparent heating devices, solar cells and even organic light emitting diodes. However, most TCOs are n-type, while p-type TCOs are scarce. SrCu2O2 is a leading candidate as a p-type transparent conductive oxide. In this paper, we report theoretical calculations and experimental studies on the vibrational, optical and microstructural properties of both bulk and thin films of polycrystalline undoped SrCu2O2 obtained by pulsed laser deposition (PLD). Barium doping of the SrCu2O2 by substitution of Sr atoms is also reported. The simulated crystal structures of both SrCu2O2 and BaCu2O2 materials, obtained through a state-of-the-art implementation of the Density functional theory, are compared with experimental X-ray diffraction data of undoped and Ba-doped SrCu2O2 bulk materials. Raman spectra of both SCO and BCO materials are simulated from the derivatives of the dielectric susceptibility and a symmetry analysis of the optical phonon eigenvectors at the Brillouin zone center is proposed. Good agreement with Raman scattering experimental results is demonstrated.

  11. Intrusion recognition for optic fiber vibration sensor based on the selective attention mechanism

    Science.gov (United States)

    Xu, Haiyan; Xie, Yingjuan; Li, Min; Zhang, Zhuo; Zhang, Xuewu

    2017-11-01

    Distributed fiber-optic vibration sensors receive extensive investigation and play a significant role in the sensor panorama. A fiber optic perimeter detection system based on all-fiber interferometric sensor is proposed, through the back-end analysis, processing and intelligent identification, which can distinguish effects of different intrusion activities. In this paper, an intrusion recognition based on the auditory selective attention mechanism is proposed. Firstly, considering the time-frequency of vibration, the spectrogram is calculated. Secondly, imitating the selective attention mechanism, the color, direction and brightness map of the spectrogram is computed. Based on these maps, the feature matrix is formed after normalization. The system could recognize the intrusion activities occurred along the perimeter sensors. Experiment results show that the proposed method for the perimeter is able to differentiate intrusion signals from ambient noises. What's more, the recognition rate of the system is improved while deduced the false alarm rate, the approach is proved by large practical experiment and project.

  12. Raman spectroscopy complements optical coherent tomography in tissue classification and cancer detection

    Science.gov (United States)

    Qi, Ji; Sudheendran, Narendran; Liu, Chih-Hao; Santos, Greggy M.; Young, Eric D.; Lazar, Alexander J.; Lev, Dina C.; Pollock, Raphael E.; Larin, Kirill V.; Shih, Wei-Chuan

    2015-03-01

    Optical coherence tomography (OCT) provides significant advantages of high-resolution (approaching the histopathology level) real-time imaging of tissues without use of contrast agents. Based on these advantages, the microstructural features of tumors can be visualized and detected intra-operatively. However, it is still not clinically accepted for tumor margin delineation due to poor specificity and accuracy. In contrast, Raman spectroscopy (RS) can obtain tissue information at the molecular level, but does not provide real-time imaging capability. Therefore, combining OCT and RS could provide synergy. To this end, we present a tissue analysis and classification method using both the slope of OCT intensity signal versus depth and the principle components from the RS spectrum as the indicators for tissue characterization. Our pilot experiments were performed on mouse kidneys, livers, and small intestines. The prediction accuracy with five-fold cross validation of the method has been evaluated by support vector machine method. The results demonstrate that RS can effectively improve tissue classification compared to OCT alone. Next, we demonstrate that the boundary between myxoid liposarcoma and normal fat which is easily identifiable both Raman and OCT. In cases where structural images are indistinguishable, for example, in normal fat and well differentiated liposarcoma (WDLS) or gastrointestinal sarcoma tumor (GIST) and Myxoma, distinct molecular spectra have been obtained. The results suggest RS can effectively complement OCT to tumor boundary demarcation with high specificity.

  13. Identification of Lanthanide(III) Luminophores in Magnetic Circularly Polarized Luminescence Using Raman Optical Activity Instrumentation.

    Science.gov (United States)

    Wu, Tao; Kapitán, Josef; Andrushchenko, Valery; Bouř, Petr

    2017-05-02

    Luminescence of lanthanide(III) ions sensitively reflects atomic environment. However, the signal may be weak and covered by Raman scattering. In the present study magnetic circularly polarized luminescence (MCPL) is explored as a more sensitive tool to recognize the lanthanide signal and assign underlying electronic transitions. MCPL spectra of the Na3[Ln(DPA)3] (Ln = Ce, Pr, Nd, Sm, Eu, Tb, Dy, Ho, and Er) complexes were recorded on a Raman optical activity (ROA) instrument. The ROA spectrometer equipped with the 532 nm laser excitation sensitively detects differences in scattering of left- and right-circularly polarized light caused by the magnetic field. Weak bands sometimes invisible in unpolarized measurement could be detected as MCPL. Observed transitions were assigned with the aid of the ligand-field theory. MCPL also reflects the environment: chloride and nitrate salts (LnCl3 and Ln(NO3)3) provide a different signal than the complex; for Nd(III) the signal responds to distribution of chloride and nitrate ions around the metal. The MCPL technique thus appears useful for identification and assignment of lanthanide transitions and increases the potential of fluorescent probes for applications in analytical chemistry and imaging.

  14. Micro-Raman spectroscopy for optical pathology of oral squamous cell carcinoma.

    Science.gov (United States)

    Krishna, C Murali; Sockalingum, G D; Kurien, Jacob; Rao, Lakshmi; Venteo, L; Pluot, M; Manfait, M; Kartha, V B

    2004-09-01

    Micro-Raman spectra of formalin-fixed oral squamous normal and carcinoma tissues, stored at room temperature for 2 months, have been recorded. Spectra were recorded both in the epithelial and subepithelial regions of the tissues. No noticeable spectral contamination due to formalin was observed. Very significant differences between spectra of normal epithelial and malignant epithelial samples were found. No such differences in spectra of subepithelial malignant and subepithelial normal samples could be observed. This study shows that spectra from the epithelial region changes drastically because of malignancy-induced biochemical changes in this region. Major differences between normal and malignant spectra seem to arise from the protein composition, conformational/structural changes, and possible increase in protein content in malignant epithelia. The differences between normal epithelial and subepithelial spectra, as expected, arise mainly from the collagen in subepithelial tissue. Principal component analysis of the combined sets of spectra-epithelial and subepithelial, normal and malignant- showed that very good discrimination can be achieved by Raman microspectroscopy. This study thus validates the suitability of formalin-fixed tissues for optical pathology in oral malignancy.

  15. Theoretical study of collinear optical frequency comb generation under multi-wave, transient stimulated Raman scattering in crystals

    Energy Technology Data Exchange (ETDEWEB)

    Smetanin, S N [A M Prokhorov General Physics Institute, Russian Academy of Sciences, Moscow (Russian Federation)

    2014-11-30

    Using mathematical modelling we have studied the conditions of low-threshold collinear optical frequency comb generation under transient (picosecond) stimulated Raman scattering (SRS) and parametric four-wave coupling of SRS components in crystals. It is shown that Raman-parametric generation of an octave-spanning optical frequency comb occurs most effectively under intermediate, transient SRS at a pump pulse duration exceeding the dephasing time by five-to-twenty times. We have found the optimal values of not only the laser pump pulse duration, but also of the Raman crystal lengths corresponding to highly efficient generation of an optical frequency comb from the second anti-Stokes to the fourth Stokes Raman components. For the KGd(WO{sub 4}){sub 2} (high dispersion) and Ba(NO{sub 3}){sub 2} (low dispersion) crystals pumped at a wavelength of 1.064 μm and a pulse duration five or more times greater than the dephasing time, the optimum length of the crystal was 0.3 and 0.6 cm, respectively, which is consistent with the condition of the most effective Stokes – anti-Stokes coupling ΔkL ≈ 15, where Δk is the wave detuning from phase matching of Stokes – anti-Stokes coupling, determined by the refractive index dispersion of the SRS medium. (nonlinear optical phenomena)

  16. Raman and Surface Enhanced Raman of Biological Material

    National Research Council Canada - National Science Library

    Guicheteau, Jason A; Gonser, Kristina; Christesen, Steven Dale

    2004-01-01

    .... Vibrational spectroscopic methods such as Raman and surface enhanced Raman scattering (SERS) provide rapid detailed fingerprint information about the molecular composition of biomaterial in a non-destructive manner...

  17. Resonance Raman and vibrational mode analysis used to predict ligand geometry for docking simulations of a water soluble porphyrin and tubulin.

    Science.gov (United States)

    McMicken, Brady; Parker, James E; Thomas, Robert J; Brancaleon, Lorenzo

    2016-09-01

    The ability to modify the conformation of a protein by controlled partial unfolding may have practical applications such as inhibiting its function or providing non-native photosensitive properties. A water-soluble porphyrin, meso-tetrakis (p-sulfonatophenyl) porphyrin (TSPP), non-covalently bound to tubulin can be used as a photosensitizer, which upon irradiation can lead to conformational changes of the protein. To fully understand the mechanism responsible for this partial unfolding and determine the amino acid residues and atoms involved, it is essential to find the most likely binding location and the configuration of the ligand and protein. Techniques typically used to analyze atomic position details, such as nuclear magnetic resonance and X-ray crystallography, require large concentrations, which are incompatible with the dilute conditions required in experiments for photoinduced mechanisms. Instead, we develop an atomistic description of the TSPP-tubulin complex using vibrational mode analysis from density functional theory calculations correlated to resonance Raman spectra of the porphyrin paired with docking simulations. Changes in the Raman peaks of the porphyrin molecule correlate with changes in its structural vibrational modes when bound to tubulin. The data allow us to construct the relative geometry of the porphyrin when bound to protein, which are then used with docking simulations to find the most likely configuration of the TSPP-tubulin complex.

  18. Simulations and analysis of the Raman scattering and differential Raman scattering/Raman optical activity (ROA) spectra of amino acids, peptides and proteins in aqueous solution

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Nieminen, R. M.; Bohr, Jakob

    2000-01-01

    shell which strongly interact with the molecule are treated explicitly while the waters in the bulk are treated by a continuum model. The structures are optimized and the harmonic force elds are calculated. The derivatives needed to simulate the Raman and ROA intensities are calculated from first...

  19. Optical nanoantennas for multiband surface-enhanced infrared and raman spectroscopy

    KAUST Repository

    D'Andrea, Cristiano

    2013-04-23

    In this article we show that linear nanoantennas can be used as shared substrates for surface-enhanced Raman and infrared spectroscopy (SERS and SEIRS, respectively). This is done by engineering the plasmonic properties of the nanoantennas, so to make them resonant in both the visible (transversal resonance) and the infrared (longitudinal resonance), and by rotating the excitation field polarization to selectively take advantage of each resonance and achieve SERS and SEIRS on the same nanoantennas. As a proof of concept, we have fabricated gold nanoantennas by electron beam lithography on calcium difluoride (1-2 μm long, 60 nm wide, 60 nm high) that exhibit a transverse plasmonic resonance in the visible (640 nm) and a particularly strong longitudinal dipolar resonance in the infrared (tunable in the 1280-3100 cm -1 energy range as a function of the length). SERS and SEIRS detection of methylene blue molecules adsorbed on the nanoantenna\\'s surface is accomplished, with signal enhancement factors of 5 × 102 for SERS (electromagnetic enhancement) and up to 105 for SEIRS. Notably, we find that the field enhancement provided by the transverse resonance is sufficient to achieve SERS from single nanoantennas. Furthermore, we show that by properly tuning the nanoantenna length the signals of a multitude of vibrational modes can be enhanced with SEIRS. This simple concept of plasmonic nanosensor is highly suitable for integration on lab-on-a-chip schemes for label-free chemical and biomolecular identification with optimized performances. © 2013 American Chemical Society.

  20. The relationship between extraordinary optical transmission and surface-enhanced Raman scattering in subwavelength metallic nanohole arrays.

    Science.gov (United States)

    Li, Qianhong; Yang, Zhilin; Ren, Bin; Xu, Hongxing; Tian, Zhongqun

    2010-11-01

    Nanohole arrays in an Ag film were used as a substrate for surface-enhanced Raman scattering in the optical range. Extraordinary optical transmission and local field enhancement in Ag nanohole arrays were theoretically simulated using three-dimensional finite difference time domain method. The periodicity of the holes was adjusted to control the transmission intensity and electric field intensity. The calculation results show that the peak position of transmission red-shifts as the periodicity increases, while the peak intensity decreases linearly. The electric field is localized in a very small region at the edges of the holes, which means the surface-enhanced Raman scattering originates only from a small number of molecules located in the edge regions. The electric field intensity changes with the excitation wavelength in a similar trend to the transmission intensity. Both the electric field intensity and transmission intensity reach their maximum value at the frequency of surface plasmon resonance. The structure that gives resonant transmission provides the maximum surface-enhanced Raman scattering signal. Controllable and predictable surface-enhanced Raman scattering can be produced by using this novel nanostructure. The structure can be optimized to get the maximum surface-enhanced Raman scattering signal at a certain excitation wavelength through numerical simulations.

  1. DFT computations on: Crystal structure, vibrational studies and optical investigations of a luminescent self-assembled material.

    Science.gov (United States)

    Kessentini, A; Ben Ahmed, A; Dammak, T; Belhouchet, M

    2018-02-15

    The current work undertakes the growth and the physicochemical properties of a novel green-yellow luminescence semi-organic material, the 3-picolylammonium bromide abbreviated (Pico-Br). In this paper, we report the X-ray diffraction measurements which show that the crystal lattice consists of distinct 3-picolylammonium cations and free bromide anions connected via NH⋯Br and NH⋯N hydrogen bonds leading to form a two dimensional frameworks. Molecular geometry compared with its optimized counterpart shows that the quantum chemical calculations carried out with density functional method (DFT) well produce the perceived structure by X-ray resolution of the studied material. To provide further insight into the spectroscopic properties, additional characterization of this material have been performed with Raman and infrared studies at room temperature. Theoretical computations have been computed using the (DFT) method at B3LYP/LanL2DZ level of theory implemented within Gaussian 03 program to study the vibrational spectra of the investigated molecule in the ground state. Optical absorption spectrum inspected by UV-visible absorption reveals the appearance of sharp optical gap of 280nm (4.42eV) as well as a strong green photoluminescence emission at 550nm (2.25eV) is detected on the photoluminescence (PL) spectrum at room temperature. Using the TD/DFT method, HOMO-LUMO energy gap and the Mulliken atomic charges were calculated in order to get an insight into the material. Good agreement between the theoretical results and the experimental ones was predicted. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. DFT computations on: Crystal structure, vibrational studies and optical investigations of a luminescent self-assembled material

    Science.gov (United States)

    Kessentini, A.; Ben Ahmed, A.; Dammak, T.; Belhouchet, M.

    2018-02-01

    The current work undertakes the growth and the physicochemical properties of a novel green-yellow luminescence semi-organic material, the 3-picolylammonium bromide abbreviated (Pico-Br). In this paper, we report the X-ray diffraction measurements which show that the crystal lattice consists of distinct 3-picolylammonium cations and free bromide anions connected via Nsbnd H ⋯ Br and Nsbnd H ⋯ N hydrogen bonds leading to form a two dimensional frameworks. Molecular geometry compared with its optimized counterpart shows that the quantum chemical calculations carried out with density functional method (DFT) well produce the perceived structure by X-ray resolution of the studied material. To provide further insight into the spectroscopic properties, additional characterization of this material have been performed with Raman and infrared studies at room temperature. Theoretical computations have been computed using the (DFT) method at B3LYP/LanL2DZ level of theory implemented within Gaussian 03 program to study the vibrational spectra of the investigated molecule in the ground state. Optical absorption spectrum inspected by UV-visible absorption reveals the appearance of sharp optical gap of 280 nm (4.42 eV) as well as a strong green photoluminescence emission at 550 nm (2.25 eV) is detected on the photoluminescence (PL) spectrum at room temperature. Using the TD/DFT method, HOMO-LUMO energy gap and the Mulliken atomic charges were calculated in order to get an insight into the material. Good agreement between the theoretical results and the experimental ones was predicted.

  3. Raman-IR vibrational and XRD characterization of ancient and modern mineralogy from volcanic eruption in Tenerife Island: Implication for Mars

    Directory of Open Access Journals (Sweden)

    E.A. Lalla

    2016-07-01

    Full Text Available A detailed vibrational Raman-IR spectroscopic and diffractional analyses have been performed on basalts from two locations from Tenerife Island: (1 the Arenas Negras volcano which belongs to the historical eruption not showing visible alteration and (2 Pillow Lavas zone from Anaga Massif which shows a clearly fluid-rock interaction caused by submarine alteration. These places have been extensively studied due to its similarity with the surface of Mars. The analysis is based on the mineral detection of selected samples by a Micro-Raman study of the materials. The complementary techniques have confirmed the mineralogy detected by the Raman measurement. The results show a volcanic environment behavior with primary phases like olivine, pyroxene, and feldspar/plagioclase. Moreover, the presence of accessory minerals or secondary mineralization like phosphate, iron oxides, zeolite or carbonates shows the alteration processes on each outcrop. The variation in the crystallinity and amorphous phases is related to fluid-rock interaction caused by hydrothermal episodes and external weathering processes, which shows several analogies with the ancient volcanic activity from Mars.

  4. Vibrational Order, Structural Properties, and Optical Gap of ZnO Nanostructures Sintered through Thermal Decomposition

    Directory of Open Access Journals (Sweden)

    Alejandra Londono-Calderon

    2014-01-01

    Full Text Available The sintering of different ZnO nanostructures by the thermal decomposition of zinc acetate is reported. Morphological changes from nanorods to nanoparticles are exhibited with the increase of the decomposition temperature from 300 to 500°C. The material showed a loss in the crystalline order with the increase in the temperature, which is correlated to the loss of oxygen due to the low heating rate used. Nanoparticles have a greater vibrational freedom than nanorods which is demonstrated in the rise of the main Raman mode E 2(high during the transformation. The energy band gap of the nanostructured material is lower than the ZnO bulk material and decreases with the rise in the temperature.

  5. SIMULATION OF FORWARD AND BACKWARD WAVES EVOLUTION OF FEW-CYCLE PULSES PROPAGATING IN AN OPTICAL WAVEGUIDE WITH DISPERSION AND CUBIC NONLINEARITY OF ELECTRONIC AND ELECTRONIC-VIBRATION NATURE

    Directory of Open Access Journals (Sweden)

    L. S. Konev

    2015-09-01

    Full Text Available Numerical method for calculation of forward and backward waves of intense few-cycle laser pulses propagating in an optical waveguide with dispersion and cubic nonlinearity of electronic and electronic-vibration nature is described. Simulations made with the implemented algorithm show that accounting for Raman nonlinearity does not lead to qualitative changes in behavior of the backward wave. Speaking about quantitative changes, the increase of efficiency of energy transfer from the forward wave to the backward wave is observed. Presented method can be also used to simulate interaction of counterpropagating pulses.

  6. Raman and IR studies and DFT calculations of the vibrational spectra of 2,4-Dithiouracil and its cation and anion.

    Science.gov (United States)

    Singh, R; Yadav, R A

    2014-09-15

    Raman and FTIR spectra of solid 2,4-Dithiouracil (DTU) at room temperature have been recorded. DFT calculations were carried out to compute the optimized molecular geometries, GAPT charges and fundamental vibrational frequencies along with their corresponding IR intensities, Raman activities and depolarization ratios of the Raman bands for the neutral DTU molecule and its cation (DTU+) and anion (DTU-) using the Gaussian-03 software. Addition of one electron leads to increase in the atomic charges on the sites N1 and N3 and decrease in the atomic charges on the sites S8 and S10. Due to ionization of DTU molecule, the charge at the site C6 decreases in the cationic and anionic radicals of DTU as compared to its neutral species. As a result of anionic radicalization, the C5C6 bond length increases and loses its double bond character while the C4C5 bond length decreases. In the case of the DTU+ ion the IR and Raman band corresponding to the out-of-phase coupled NH stretching mode is strongest amongst the three species. The anionic DTU radical is found to be the most stable. The two NH out-of-plane bending modes are found to originate due to out-of-phase and in-phase coupling of the two NH bonds in the anion and cation contrary to the case of the neutral DTU molecule in which the out-of-plane bending motions of the two NH bonds are not coupled. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Electronic speckle pattern shearing interferometry using photopolymer diffractive optical elements for vibration measurements

    Science.gov (United States)

    Mihaylova, Emilia M.; Naydenova, Izabela; Martin, Suzanne; Toal, Vincent

    2004-06-01

    Electronic speckle pattern shearing interferometry (ESPSI) is superior to Electronic speckle pattern interferometry (ESPI) when strain distribution, arising from object deformation or vibration, need to be measured. This is because shearography provides data directly related to the spatial derivatives of the displacement. Further development of ESPSI systems could be beneficial for wider application to the measurement of mechanical characteristics of vibrating objects. Two electronic speckle pattern shearing interferometers (ESPSI) suitable for vibration measurements are presented. In both ESPSI systems photopolymer holographic gratings are used to shear the images and to control the size of the shear. The holographic gratings are recorded using an acrylamide-based photopolymer material. Since the polymerization process occurs during recording, the holograms are produced without any development or processing. The ESPSI systems with photopolymer holographic gratings are simple and compact. Introducing photopolymer holographic gratings in ESPSI gives the advantage of using high aperture optical elements at relatively low cost. It is demonstrated that both ESPSI system can be used for vibration measurements. The results obtained are promising for future applications of the systems for modal analysis.

  8. Development of apertureless near-field scanning optical microscope tips for tip-enhanced Raman spectroscopy.

    Science.gov (United States)

    Kodama, T; Umezawa, T; Watanabe, S; Ohtani, H

    2008-02-01

    In this study, we suggested two types of novel metallized tip for the apertureless near-field scanning optical microscope probe. The first is a silver nanorod immobilized tip and the other is a double metallized probe. We calculated the electric field enhancement factor and the electric field distribution of a single sphere, aggregated spheres, an ellipse and a nanorod by the finite-differential time-domain method to improve the silver nanosphere immobilized tip developed in our previous studies. The enhanced field of the nanorod is localized at the external surfaces. The simulation results of the nanorod revealed that the position of the maximum peak is shifted to a longer wavelength and that its electric field enhancement factor increases as the aspect ratio increases. Thus, we developed the silver nanorod immobilized tip, and the tip-enhanced Raman spectrum of rhodamine 6G molecule on the substrate could be measured by the tip though it could not be detected by the previous nanosphere immobilized tip. Further, the finite-differential time-domain calculation predicted that the double metallized tips considerably enhance the electric field and that its enhancement factor in the longer wavelength region (500-600 nm) does not decrease when the tip is rounded. The results show that the proposed metallized tips were useful for the apertureless near-field scanning optical microscope system.

  9. Ultrasensitive broadband probing of molecular vibrational modes with multifrequency optical antennas.

    Science.gov (United States)

    Aouani, Heykel; Šípová, Hana; Rahmani, Mohsen; Navarro-Cia, Miguel; Hegnerová, Kateřina; Homola, Jiří; Hong, Minghui; Maier, Stefan A

    2013-01-22

    Optical antennas represent an enabling technology for enhancing the detection of molecular vibrational signatures at low concentrations and probing the chemical composition of a sample in order to identify target molecules. However, efficiently detecting different vibrational modes to determine the presence (or the absence) of a molecular species requires a multispectral interrogation in a window of several micrometers, as many molecules present informative fingerprint spectra in the mid-infrared between 2.5 and 10 μm. As most nanoantennas exhibit a narrow-band response because of their dipolar nature, they are not suitable for such applications. Here, we propose the use of multifrequency optical antennas designed for operating with a bandwidth of several octaves. We demonstrate that surface-enhanced infrared absorption gains in the order of 10(5) can be easily obtained in a spectral window of 3 μm with attomolar concentrations of molecules, providing new opportunities for ultrasensitive broadband detection of molecular species via vibrational spectroscopy techniques.

  10. General model of signal propagation in a Raman amplified single-mode fiber based coherent optical communication system

    Science.gov (United States)

    Cheng, Jingchi; Tang, Ming; Fu, Songnian; Shum, Perry Ping; Liu, Deming

    2016-12-01

    The distributed Raman amplifier (DRA) has been widely utilized in state-of-the-art coherent optical communication systems using multi-level modulation formatted signals in order to improve transmission performance. A general model based on Jones vector notation governing the signal propagation under Raman amplified link is proposed. Primary physics including both linear and nonlinear effects have been taken into account. The numerical approach for solving the equations is illustrated in detail. Using the model, system characterization and optimization can be easily performed. We also compare our model with the commonly used coarse-step method. It is found that the coarse-step method will exaggerate the cross-polarization modulation induced impairments by over 6 dB and will become unusable when the pump power is as high as several Watts. The proposed model provides a guideline for the simulation of Raman amplified coherent transmission systems.

  11. Detection and characterization of atherosclerotic plaques by Raman probe spectroscopy and optical coherence tomography (Conference Presentation)

    Science.gov (United States)

    Matthäus, Christian; Dochow, Sebastian; Egodage, Kokila D.; Schie, Iwan; Romeike, Bernd F.; Brehm, Bernhard R.; Popp, Jürgen

    2017-02-01

    Visualization and characterization of inner arterial plaque depositions is of vital diagnostic interest. Established intravascular imaging techniques provide valuable morphological information, but cannot deliver information about the chemical composition of individual plaques. Probe based Raman spectroscopy offers the possibility for a biochemical characterization of atherosclerotic plaque formations during an intravascular intervention. From post mortem studies it is well known that the severity of a plaque and its stability are strongly correlated with its biochemical composition. Especially the identification of vulnerable plaques remains one of the most important and challenging aspects in cardiology. Thus, specific information about the composition of a plaque would greatly improve the risk assessment and management. Furthermore, knowledge about the composition can offer new therapeutic and medication strategies. Plaque calcifications as well as major lipid components such as cholesterol, cholesterol esters and triglycerides can be spectroscopically easily differentiated. Intravascular optical coherence tomography (OCT) is currently a prominent catheter based imaging technique for the localization and visualization of atherosclerotic plaque depositions. The high resolution of OCT with 10 to 15 µm allows for very detailed characterization of morphological features such as different plaque formations, thin fibrous caps and accurate measurements of lesion lengths. In combination with OCT imaging the obtained spectral information can provide substantial information supporting on on-site diagnosis of various plaque types and therefor an improved risk assessment. The potential and feasibility of combining OCT with Raman spectroscopy is demonstrated on excised plaque samples, as well as under in vivo conditions. Acknowledgements: Financial support from the Carl Zeiss Foundation is greatly acknowledged.

  12. Goos-Hänchen effect for optical vibrational modes in a semiconductor structure

    Science.gov (United States)

    Villegas, Diosdado; Arriaga, J.; de León-Pérez, Fernando; Pérez-Álvarez, R.

    2017-03-01

    We study the tunneling of optical vibrational modes with transverse horizontal polarization that impinge, at a given angle, on a semiconductor heterostructure. We find a large influence of the Goos-Hänchen shift on tunneling times. In particular, a Goos-Hänchen shift larger than the barrier thickness is reported for the first time. The relation between Goos-Hänchen and Hartman effects is also discussed. The identity that equals the dwell time to the sum of transmission and interference times, previously derived for one-dimensional tunneling problems, is extended to the two-dimensional case. Closed-form expressions are developed for the relevant quantities. Instead of using the standard approach, the interference time is computed from the vibrational energy density. The present study could be useful for the design of semiconductor devices.

  13. Raman Lidar Observations of Aerosol Optical Properties in 11 Cities from France to Siberia

    Directory of Open Access Journals (Sweden)

    Elsa Dieudonné

    2017-09-01

    Full Text Available In June 2013, a ground-based mobile lidar performed the ~10,000 km ride from Paris to Ulan-Ude, near Lake Baikal, profiling aerosol optical properties in the cities visited along the journey and allowing the first comparison of urban aerosols optical properties across Eurasia. The lidar instrument was equipped with N2-Raman and depolarization channels, enabling the retrieval of the 355-nm extinction-to-backscatter ratio (also called Lidar Ratio (LR and the linear Particle Depolarization Ratio (PDR in the urban planetary boundary or residual layer over 11 cities. The optical properties of pollution particles were found to be homogeneous all along the journey: no longitude dependence was observed for the LR, with most values falling within the 67–96 sr range. There exists only a slight increase of PDR between cities in Europe and Russia, which we attribute to a higher fraction of coarse terrigenous particles lifted from bad-tarmac roads and unvegetated terrains, which resulted, for instance, in a +1.7% increase between the megalopolises of Paris and Moscow. A few lower LR values (38 to 50 sr were encountered above two medium size Siberian cities and in an isolated plume, suggesting that the relative weight of terrigenous aerosols in the mix may increase in smaller cities. Space-borne observations from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP, retrieved during summer 2013 above the same Russian cities, confirmed the prevalence of aerosols classified as “polluted dust”. Finally, we encountered one special feature in the Russian aerosol mix as we observed with good confidence an unusual aerosol layer displaying both a very high LR (96 sr and a very high PDR (20%, even though both features make it difficult to identify the aerosol type.

  14. Observation of SERS effect in Raman optical activity, a new tool for chiral vibrational spectroscopy

    DEFF Research Database (Denmark)

    Abdali, Salim

    2006-01-01

    , takes this tool to another level, where a single molecule may be studied with respect to chirality, secondary structure and fold determination. ROA has been able to provide information about important dynamics in molecular understanding. However, until recently ROA measurements have required a longer...... exposure and higher concentration of the sample. With SEROA, these obstacles can be overcome, in that both studies on single molecule, i.e., very low concentration, and faster acquisition of the signal can be achieved. In the present work silver colloids were mixed with solution, in which a pentapeptide...

  15. An insight into evolution of electronic, magnetic, optical, and vibrational properties of ultrathin Pd nanowires

    Science.gov (United States)

    Singh, Poorva; Bala, Anu; Nautiyal, Tashi; Auluck, Sushil

    2013-07-01

    We have studied evolution of the electronic, magnetic, optical, and vibrational properties of Pd nanowires (NWs) as we go from linear chains (LCs) (the ideal one-dimensional structure) to zigzag (ZZ) structure to 2 × 2 NWs. The 2 × 2 structure is found to be more stable and stiff, as compared to the LCs and ZZ NWs, with promising and versatile optical and vibrational properties. This 2 × 2 structure, built from the stacking of face-centered cubic (110) planes, has already been observed experimentally for silver NWs. Our calculations, which include relaxation of atomic positions, show that on stretching 2 × 2 NWs undergo a structural change from (110) stacking to a more symmetric (001) stacking, which culminates into a metastable state with stable magnetism. Furthermore, inclusion of spin orbit coupling beautifully illustrates its impact on the atomic magnetic moments in 2 × 2 NWs. Structure dependence of the axial anisotropy and azimuthal anisotropy is nicely brought out on comparison for the three structures. The charge density plots show charge accumulation transverse to NW axis for 2 × 2 NWs, consistent with their one-dimensional nature. A late start of the optical response, to the electric field perpendicular to the wire axis, indicates that well-aligned ultrathin Pd wires can effectively be used as polarizers of the light. Our systematic study also resolves discrepancies in the previous reports on Pd ZZ NWs.

  16. Visualizing Resonances in the Complex Plane with Vibrational Phase Contrast Coherent Anti-Stokes Raman Scattering (CARS)

    NARCIS (Netherlands)

    Jurna, M.; Garbacik, E.T.; Korterik, Jeroen P.; Herek, Jennifer Lynn; Otto, Cornelis; Offerhaus, Herman L.

    2010-01-01

    In coherent anti-Stokes Raman scattering (CARS), the emitted signal carries both amplitude and phase information of the molecules in the focal volume. Most CARS experiments ignore the phase component, but its detection allows for two advantages over intensity-only CARS. First, the pure resonant

  17. Observation of sound-induced corneal vibrational modes by optical coherence tomography

    OpenAIRE

    Akca, B. Imran; Chang, Ernest W.; Kling, Sabine; Ramier, Antoine; Scarcelli, Giuliano; Marcos, Susana; Yun, Seok H.

    2015-01-01

    The mechanical stability of the cornea is critical for maintaining its normal shape and refractive function. Here, we report an observation of the mechanical resonance modes of the cornea excited by sound waves and detected by using phase-sensitive optical coherence tomography. The cornea in bovine eye globes exhibited three resonance modes in a frequency range of 50-400 Hz. The vibration amplitude of the fundamental mode at 80-120 Hz was ~8 µm at a sound pressure level of 100 dB (2 Pa). Vibr...

  18. Fiber optic vibration sensor for high-power electric machines realized using 3D printing technology

    Science.gov (United States)

    Igrec, Bojan; Bosiljevac, Marko; Sipus, Zvonimir; Babic, Dubravko; Rudan, Smiljko

    2016-03-01

    The objective of this work was to demonstrate a lightweight and inexpensive fiber-optic vibration sensor, built using 3D printing technology, for high-power electric machines and similar applications. The working principle is based on modulating the light intensity using a blade attached to a bendable membrane. The sensor prototype was manufactured using PolyJet Matrix technology with DM 8515 Grey 35 Polymer. The sensor shows linear response, expected bandwidth (< 150 Hz), and from our measurements we estimated the damping ratio for used polymer to be ζ ≍ 0.019. The developed prototype is simple to assemble, adjust, calibrate and repair.

  19. High Sensitivity Detection of Broadband Acoustic Vibration Using Optical Demodulation Method

    Science.gov (United States)

    Zhang, Zhen

    Measuring the high frequency acoustic vibrations represents the fundamental interest in revealing the intrinsic dynamic characteristic of board range of systems, such as the growth of the fetus, blood flow in human palms, and vibrations of carbon nanotube. However, the acoustic wave detection capability is limited by the detection bandwidth and sensitivity of the commonly used piezoelectric based ultrasound detectors. To overcome these limitations, this thesis focuses on exploring the optical demodulation method for highly sensitive detection of broadband acoustic vibration. First, a transparent optical ultrasonic detector has been developed using micro-ring resonator (MRR) made of soft polymeric materials. It outperforms the traditional piezoelectric detectors with broader detection bandwidth, miniaturized size and wide angular sensitivity. Its ease of integration into photoacoustic microscopy system has resulted in the great improvement of the imaging resolution. A theoretic framework has been developed to establish the quantitative understanding of its unique distance and angular dependent detection characteristics and was subsequently validated experimentally. The developed theoretic framework provides a guideline to fully accounts for the trade-offs between axial and lateral resolution, working distance, and the field of view in developing optimal imaging performance for a wide range of biological and clinical applications. MRR-based ultrasonic detector is further integrated into confocal fluorescence microscopy to realize the simultaneous imaging of fluorescence and optical absorption of retinal pigment epithelium, achieving multi-contrast imaging at sub-cellular level. The needs to resolve the fine details of the biological specimen with the resolution beyond the diffraction limit further motivate the development of optical demodulated ultrasonic detection method based on near-field scanning optical microscopy (NSOM). The nano-focusing probe was developed

  20. Crystal structure, vibrational and optical properties of N-(3-ammoniumpropyl)-1,3 diammoniumpropane hexabromobismuthate monohydrate: [C6H20N3]BiBr6 H2O

    Science.gov (United States)

    Elfaleh, N.; Kamoun, S.

    2014-10-01

    The chemical preparation, the main structural, vibrational and optical features are given for a new zero dimensional alkyl tri-ammonium bismuth halogenide. (C6H20N3)BiBr6 · H2O crystallize in triclinic system, space group P1bar. The crystal structure consists of discrete ionic pairs of N-(3-ammoniumpropyl)-1,3 diammoniumpropane cations, hexabromobismuthate anions and neutral water molecules linked via simple and bifurcated N-H⋯Br(OW) and O(W)-H⋯Br hydrogen bonds. Infrared and Raman spectra of (C6H20N3)BiBr6 H2O were recorded at 298 K and discussed. The assignment of the observed IR and Raman lines was performed by comparison with the homologous compounds. Optical properties are investigated by optical absorption UV-visible and photoluminescence (PL) techniques. The optical absorption spectra reveal the appearance of sharp optical gaps of 3.10 eV as well as two strong green-yellow photoluminescence emissions are observed at room temperature.

  1. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; X = F, Cl, Br, I)

    Science.gov (United States)

    Singh, J. S.

    2014-01-01

    Raman (200-4000 cm-1) and FT-IR (400-4000 cm-1) spectra of uracil and 5-halogenated uracils (5-X-uracils; X = F, Cl, Br, I) have been recorded and analyzed in the range 200-4000 cm-1. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Ab initio and DFT calculations [using Becke's exchange in conjunction with Lee-Yang-Parr's correlation functional and Becke's three-parameter hybrid method (B3LYP)] were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-halogenated uracils by employing Gaussian-03 program. Gauss View software was used to make the vibrational analysis. Raman and IR spectra have been computed theoretically for the uracil and 5-halogenated molecules. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. Quantum chemical calculations helped in the reassignments of some fundamental vibrational modes. Most of the B3LYP/6-311++G∗∗ vibrational frequencies are in excellent agreement with available experimental assignments. The ring breathing and kekule stretching modes are found to lower magnitudes compared to those for uracil which could be due to mass effect of halogen atom in place of the hydrogen atom. The C-X (X = F, Cl, Br, I) stretching frequency is distinctly separated from the CH/NH ring stretching frequencies on the pyrimidine ring. All other bands have also been assigned different fundamentals/overtones/combinations.

  2. Effects of topological defects and diatom vacancies on characteristic vibration modes and Raman intensities of zigzag single-walled carbon nanotubes.

    Science.gov (United States)

    Saidi, Wissam A

    2014-09-04

    Defects are ubiquitous in carbon nanotubes (CNTs), despite their large formation energies, and have astounding effects on their physicochemical properties. In this study, we employ density-functional theory (DFT) calculations to study systematically the atomic structure, stability, and characteristic vibrations of pristine and defected zigzag CNTs, where the defects are of the form of Stone-Wales (SW) and diatom vacancies (DV). The DFT optimized structures and the phonon modes are subsequently used in conjunction with a semiempirical bond-polarization model to study the nonresonant Raman spectra. For each defect type, we find two CNT structures with defects parallel or oblique to the tube axis. For the SW defects, the two structures have similar formation energies, whereas for the DV defect, only defects parallel to the tube axis are likely to exist. The results show that the defects induce a blue shift in the radial breathing mode (RBM) of metallic CNTs, whereas this mode is not shifted for semiconducting CNTs. However, the RBM shift or its Raman profile is not sensitive to the defect type. The G-band showed more sensitivity to the defects in the form of a red/blue shift in the frequency, or a partial/complete defragmentation of the G bands.

  3. New Method to Study the Vibrational Modes of Biomolecules in the Terahertz Range Based on a Single-Stage Raman Spectrometer.

    Science.gov (United States)

    Kalanoor, Basanth S; Ronen, Maria; Oren, Ziv; Gerber, Doron; Tischler, Yaakov R

    2017-03-31

    The low-frequency vibrational (LFV) modes of biomolecules reflect specific intramolecular and intermolecular thermally induced fluctuations that are driven by external perturbations, such as ligand binding, protein interaction, electron transfer, and enzymatic activity. Large efforts have been invested over the years to develop methods to access the LFV modes due to their importance in the studies of the mechanisms and biological functions of biomolecules. Here, we present a method to measure the LFV modes of biomolecules based on Raman spectroscopy that combines volume holographic filters with a single-stage spectrometer, to obtain high signal-to-noise-ratio spectra in short acquisition times. We show that this method enables LFV mode characterization of biomolecules even in a hydrated environment. The measured spectra exhibit distinct features originating from intra- and/or intermolecular collective motion and lattice modes. The observed modes are highly sensitive to the overall structure, size, long-range order, and configuration of the molecules, as well as to their environment. Thus, the LFV Raman spectrum acts as a fingerprint of the molecular structure and conformational state of a biomolecule. The comprehensive method we present here is widely applicable, thus enabling high-throughput study of LFV modes of biomolecules.

  4. Characterization of bacterial spore germination using phase-contrast and fluorescence microscopy, Raman spectroscopy and optical tweezers.

    Science.gov (United States)

    Kong, Lingbo; Zhang, Pengfei; Wang, Guiwen; Yu, Jing; Setlow, Peter; Li, Yong-qing

    2011-05-01

    This protocol describes a method combining phase-contrast and fluorescence microscopy, Raman spectroscopy and optical tweezers to characterize the germination of single bacterial spores. The characterization consists of the following steps: (i) loading heat-activated dormant spores into a temperature-controlled microscope sample holder containing a germinant solution plus a nucleic acid stain; (ii) capturing a single spore with optical tweezers; (iii) simultaneously measuring phase-contrast images, Raman spectra and fluorescence images of the optically captured spore at 2- to 10-s intervals; and (iv) analyzing the acquired data for the loss of spore refractility, changes in spore-specific molecules (in particular, dipicolinic acid) and uptake of the nucleic acid stain. This information leads to precise correlations between various germination events, and takes 1-2 h to complete. The method can also be adapted to use multi-trap Raman spectroscopy or phase-contrast microscopy of spores adhered on a cover slip to simultaneously obtain germination parameters for multiple individual spores.

  5. Non-invasive optical detection of HBV based on serum surface-enhanced Raman spectroscopy

    Science.gov (United States)

    Zheng, Zuci; Wang, Qiwen; Weng, Cuncheng; Lin, Xueliang; Lin, Yao; Feng, Shangyuan

    2016-10-01

    An optical method of surface-enhanced Raman spectroscopy (SERS) was developed for non-invasive detection of hepatitis B surface virus (HBV). Hepatitis B virus surface antigen (HBsAg) is an established serological marker that is routinely used for the diagnosis of acute or chronic hepatitis B virus(HBV) infection. Utilizing SERS to analyze blood serum for detecting HBV has not been reported in previous literature. SERS measurements were performed on two groups of serum samples: one group for 50 HBV patients and the other group for 50 healthy volunteers. Blood serum samples are collected from healthy control subjects and patients diagnosed with HBV. Furthermore, principal components analysis (PCA) combined with linear discriminant analysis (LDA) were employed to differentiate HBV patients from healthy volunteer and achieved sensitivity of 80.0% and specificity of 74.0%. This exploratory work demonstrates that SERS serum analysis combined with PCA-LDA has tremendous potential for the non-invasive detection of HBV.

  6. Line-scan Raman microscopy complements optical coherence tomography for tumor boundary detection

    Science.gov (United States)

    Sudheendran, Narendran; Qi, Ji; Young, Eric D.; Lazar, Alexander J.; Lev, Dina C.; Pollock, Raphael E.; Larin, Kirill V.; Shih, Wei-Chuan

    2014-10-01

    Current technique for tumor resection requires biopsy of the tumor region and histological confirmation before the surgeon can be certain that the entire tumor has been resected. This confirmation process is time consuming both for the surgeon and the patient and also requires sacrifice of healthy tissue, motivating the development of novel technologies which can enable real-time detection of tumor-healthy tissue boundary for faster and more efficient surgeries. In this study, the potential of combining structural information from optical coherence tomography (OCT) and molecular information from line-scan Raman microscopy (LSRM) for such an application is presented. The results show a clear presence of boundary between myxoid liposarcoma and normal fat which is easily identifiable both from structural and molecular information. In cases where structural images are indistinguishable, for example, in normal fat and well differentiated liposarcoma (WDLS) or gastrointestinal sarcoma tumor (GIST) and myxoma, distinct molecular spectra have been obtained. The results suggest LSRM can effectively complement OCT to tumor boundary demarcation with high specificity.

  7. Saliva surface-enhanced Raman spectroscopy for noninvasive optical detection of nasopharyngeal cancer

    Science.gov (United States)

    Lin, Xueliang; Ge, Xiaosong; Xu, Zhihong; Zheng, Zuci; Huang, Wei; Hong, Quanxing; Lin, Duo

    2016-10-01

    The early cancer detection is of great significance to increase the patient's survival rate and reduce the risk of cancer development. Surface enhanced Raman spectroscopy (SERS) technique, a rapid, convenient, nondestructive optical detection method, can provide a characteristic "fingerprint" information of target substances, even achieving single molecule detection. Its ultra-high detection sensitivity has made it become one of the most potential biochemical detection methods. Saliva, a multi-constituent oral fluid, contains the bio-markers which is capable of reflecting the systemic health condition of human, showing promising potential as an effect medium for disease monitoring. Compared with the serum samples, the collection and processing of saliva is safer, more convenient and noninvasive. Thus, saliva test is becoming the hotspot issues of the noninvasive cancer research field. This review highlights and analyzes current application progress within the field of SERS saliva test in cancer detection. Meanwhile, the primary research results of SERS saliva for the noninvasive differentiation of nasopharyngeal cancer, normal and rhinitis obtained by our group are shown.

  8. Minimum variance control for mitigation of vibrations in adaptive optics systems.

    Science.gov (United States)

    Escárate, Pedro; Carvajal, Rodrigo; Close, Laird; Males, Jared; Morzinski, Katie; Agüero, Juan C

    2017-07-01

    In this paper, we address the design of a minimum variance controller (MVC) for the mitigation of vibrations in modern telescope adaptive optics (AO) systems. It is widely accepted that a main source of non-turbulent perturbations is the mechanical resonance induced by the wind or the instrumentation systems, such as fans and cooling pumps. To adequately mitigate vibrations, the application of frequency-based controllers has been considered in the past decade. In this work, we express the system model in terms of the tracking of a zero-input signal via the MVC. We show that the MVC is an equivalent representation of the linear quadratic Gaussian (LQG) controller for the AO system. We also show that by developing the MVC, we can obtain different expressions, in terms of transfer functions, that offer insights into the behavior and expected performance of the controller in the frequency domain. In addition, we analyze the impact of the accuracy of the system and perturbations model on the mitigation of vibrations.

  9. Development of an Optical Fiber Sensor Interrogation System for Vibration Analysis

    Directory of Open Access Journals (Sweden)

    Alfredo Lamberti

    2016-01-01

    Full Text Available Since the introduction of dynamic optical fiber sensor interrogation systems on the market it has become possible to perform vibration measurements at frequencies up to a few kHz. Nevertheless, the use of these sensors in vibration analysis has not become a standard practice yet. This is mainly caused by the fact that interrogators are stand-alone systems which focus on strain measurements while other types of signals are also required for vibration analysis (e.g., force signals. In this paper, we present a fiber Bragg grating (FBG interrogation system that enables accurate strain measurement simultaneously with other signals (e.g., excitation forces. The system is based on a Vertical Cavity Surface Emitting Laser (VCSEL and can easily be assembled with relatively low-cost off-the-shelf components. Dynamic measurements up to a few tens of kHz with a dynamic precision of around 3 nanostrain per square-root Hz can be performed. We evaluate the proposed system on two measurement examples: a steel beam with FBG sensors glued on top and a composite test specimen with a fiber sensor integrated within the material. We show that in the latter case the results of the interrogation system are superior in quality compared to a state-of-the-art commercially available interrogation system.

  10. Raman, DSC, ESR and optical properties of lithium cadmium zinc tellurite glasses

    Energy Technology Data Exchange (ETDEWEB)

    Sreenivasulu, V.; Upender, G.; Swapna,; Priya, V. Vamsi; Mouli, V. Chandra; Prasad, M., E-mail: prasad5336@yahoo.co.in

    2014-12-01

    The glasses with composition 64TeO{sub 2}–15ZnO–(20−x)CdO–xLi{sub 2}O–1V{sub 2}O{sub 5} (0≤x≤20 mol%) were prepared by conventional melt quenching technique. X-ray diffraction was used to confirm the amorphous nature. The optical absorption studies revealed that the cut-off wavelength decreases while optical energy gap (E{sub opt}) and Urbach energy (ΔE) values increase with an increase of Li{sub 2}O. Refractive index (n) evaluated from E{sub opt} was found to decrease with increase of Li{sub 2}O content. The physical parameters such as density (ρ), molar volume (V{sub m}) and oxygen packing density (OPD) have been analyzed and discussed. The electron paramagnetic resonance (EPR) spectra of VO{sup 2+} glasses have been recorded on X-band (v=9.14GHz) at room temperature. The spin Hamiltonian parameters of VO{sup 2+} ions have been calculated. It has been found that V{sup 4+} ions in these glasses exist as VO{sup 2+} in octahedral coordination with a tetragonal distortion. Raman spectroscopic studies showed that the glass network consists of TeO{sub 4}, TeO{sub 3+1}/TeO{sub 3} and ZnO{sub 4} units as basic structural units. The glass transition temperature (T{sub g}), onset crystallization (T{sub o}) and thermal stability (ΔT) were determined from Differential Scanning Calorimetry (DSC)

  11. High-sensitivity monitoring of micromechanical vibration using optical whispering gallery mode resonators

    Energy Technology Data Exchange (ETDEWEB)

    Schliesser, A; Anetsberger, G; Riviere, R; Arcizet, O; Kippenberg, T J [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, 85748 Garching (Germany)], E-mail: tjk@mpq.mpg.de

    2008-09-15

    The inherent coupling of optical and mechanical modes in high finesse optical microresonators provides a natural, highly sensitive transduction mechanism for micromechanical vibration. Using homodyne and polarization spectroscopy techniques, we achieve shot-noise limited displacement sensitivities of 10{sup -19} m Hz{sup -1/2}. In an unprecedented manner, this enables the detection and study of a variety of mechanical modes, which are identified as radial breathing, flexural and torsional modes using three-dimensional finite element modeling. Furthermore, a broadband equivalent displacement noise is measured and found to agree well with models for thermorefractive noise in silica dielectric cavities. Implications for ground-state cooling, displacement sensing and Kerr squeezing are discussed.

  12. Raman Cooling of Solids through Photonic Density of States Engineering

    CERN Document Server

    Chen, Yin-Chung

    2015-01-01

    The laser cooling of vibrational states of solids has been achieved through photoluminescence in rare-earth elements, optical forces in optomechanics, and the Brillouin scattering light-sound interaction. The net cooling of solids through spontaneous Raman scattering, and laser refrigeration of indirect band gap semiconductors, both remain unsolved challenges. Here, we analytically show that photonic density of states (DoS) engineering can address the two fundamental requirements for achieving spontaneous Raman cooling: suppressing the dominance of Stokes (heating) transitions, and the enhancement of anti-Stokes (cooling) efficiency beyond the natural optical absorption of the material. We develop a general model for the DoS modification to spontaneous Raman scattering probabilities, and elucidate the necessary and minimum condition required for achieving net Raman cooling. With a suitably engineered DoS, we establish the enticing possibility of refrigeration of intrinsic silicon by annihilating phonons from ...

  13. Errors in the estimation method for the rejection of vibrations in adaptive optics systems

    Science.gov (United States)

    Kania, Dariusz

    2017-06-01

    In recent years the problem of the mechanical vibrations impact in adaptive optics (AO) systems has been renewed. These signals are damped sinusoidal signals and have deleterious effect on the system. One of software solutions to reject the vibrations is an adaptive method called AVC (Adaptive Vibration Cancellation) where the procedure has three steps: estimation of perturbation parameters, estimation of the frequency response of the plant, update the reference signal to reject/minimalize the vibration. In the first step a very important problem is the estimation method. A very accurate and fast (below 10 ms) estimation method of these three parameters has been presented in several publications in recent years. The method is based on using the spectrum interpolation and MSD time windows and it can be used to estimate multifrequency signals. In this paper the estimation method is used in the AVC method to increase the system performance. There are several parameters that affect the accuracy of obtained results, e.g. CiR - number of signal periods in a measurement window, N - number of samples in the FFT procedure, H - time window order, SNR, b - number of ADC bits, γ - damping ratio of the tested signal. Systematic errors increase when N, CiR, H decrease and when γ increases. The value for systematic error is approximately 10^-10 Hz/Hz for N = 2048 and CiR = 0.1. This paper presents equations that can used to estimate maximum systematic errors for given values of H, CiR and N before the start of the estimation process.

  14. Removing damped sinusoidal vibrations in adaptive optics systems using a DFT-based estimation method

    Science.gov (United States)

    Kania, Dariusz

    2017-06-01

    The problem of a vibrations rejection in adaptive optics systems is still present in publications. These undesirable signals emerge because of shaking the system structure, the tracking process, etc., and they usually are damped sinusoidal signals. There are some mechanical solutions to reduce the signals but they are not very effective. One of software solutions are very popular adaptive methods. An AVC (Adaptive Vibration Cancellation) method has been presented and developed in recent years. The method is based on the estimation of three vibrations parameters and values of frequency, amplitude and phase are essential to produce and adjust a proper signal to reduce or eliminate vibrations signals. This paper presents a fast (below 10 ms) and accurate estimation method of frequency, amplitude and phase of a multifrequency signal that can be used in the AVC method to increase the AO system performance. The method accuracy depends on several parameters: CiR - number of signal periods in a measurement window, N - number of samples in the FFT procedure, H - time window order, SNR, THD, b - number of A/D converter bits in a real time system, γ - the damping ratio of the tested signal, φ - the phase of the tested signal. Systematic errors increase when N, CiR, H decrease and when γ increases. The value of systematic error for γ = 0.1%, CiR = 1.1 and N = 32 is approximately 10^-4 Hz/Hz. This paper focuses on systematic errors of and effect of the signal phase and values of γ on the results.

  15. VELOCITY FIELD COMPUTATION IN VIBRATED GRANULAR MEDIA USING AN OPTICAL FLOW BASED MULTISCALE IMAGE ANALYSIS METHOD

    Directory of Open Access Journals (Sweden)

    Johan Debayle

    2011-05-01

    Full Text Available An image analysis method has been developed in order to compute the velocity field of a granular medium (sand grains, mean diameter 600 μm submitted to different kinds of mechanical stresses. The differential method based on optical flow conservation consists in describing a dense motion field with vectors associated to each pixel. A multiscale, coarse-to-fine, analytical approach through tailor sized windows yields the best compromise between accuracy and robustness of the results, while enabling an acceptable computation time. The corresponding algorithmis presented and its validation discussed through different tests. The results of the validation tests of the proposed approach show that the method is satisfactory when attributing specific values to parameters in association with the size of the image analysis window. An application in the case of vibrated sand has been studied. An instrumented laboratory device provides sinusoidal vibrations and enables external optical observations of sand motion in 3D transparent boxes. At 50 Hz, by increasing the relative acceleration G, the onset and development of two convective rolls can be observed. An ultra fast camera records the grain avalanches, and several pairs of images are analysed by the proposed method. The vertical velocity profiles are deduced and allow to precisely quantify the dimensions of the fluidized region as a function of G.

  16. Design of the optical Raman amplifier for the shore station of NEMO phase 2

    Energy Technology Data Exchange (ETDEWEB)

    D' Amico, A., E-mail: damico@lns.infn.i [LNS-INFN, Via S. Sofia 62 I-95123, Catania (Italy)

    2011-01-21

    A distributed Raman amplifier system for the NEMO phase 2 project has been simulated. The simulation goal was to optimize the Raman pump wavelengths in order to maximize the gain in the spectral region extending between 1530 and 1563 nm, where the DWDM channels of the data transport system are allocated. The results of the simulated gain will be shown.

  17. Surface-enhanced Raman scattering of amorphous silica gel adsorbed on gold substrates for optical fiber sensors

    Science.gov (United States)

    Degioanni, S.; Jurdyc, A. M.; Cheap, A.; Champagnon, B.; Bessueille, F.; Coulm, J.; Bois, L.; Vouagner, D.

    2015-10-01

    Two kinds of gold substrates are used to produce surface-enhanced Raman scattering (SERS) of amorphous silica obtained via the sol-gel route using tetraethoxysilane Si(OC2H5)4 (TEOS) solution. The first substrate consists of a gold nanometric film elaborated on a glass slide by sputter deposition, controlling the desired gold thickness and sputtering current intensity. The second substrate consists of an array of micrometer-sized gold inverted pyramidal pits able to confine surface plasmon (SP) enhancing electric field, which results in a distribution of electromagnetic energy inside the cavities. These substrates are optically characterized to observe SPR with, respectively, extinction and reflectance spectrometries. Once coated with thin layers of amorphous silica (SiO2) gel, these samples show Raman amplification of amorphous SiO2 bands. This enhancement can occur in SERS sensors using amorphous SiO2 gel as shells, spacers, protective coatings, or waveguides, and represents particularly a potential interest in the field of Raman distributed sensors, which use the amorphous SiO2 core of optical fibers as a transducer to make temperature measurements.

  18. Fiber optic Raman sensor to monitor the concentration ratio of nitrogen and oxygen in a cryogenic mixture

    Science.gov (United States)

    Tiwari, Vidhu S.; Kalluru, Rajamohan R.; Yueh, Fang Y.; Singh, Jagdish P.; St. Cyr, William; Khijwania, Sunil K.

    2007-06-01

    A spontaneous Raman scattering optical fiber sensor was developed for a specific need of the National Aeronautics and Space Administration (NASA) for long-term detection and monitoring of the purity of liquid oxygen (LO2) in the oxidizer feed line during ground testing of rocket engines. The Raman peak intensity ratios for liquid nitrogen (LN2) and LO2 with varied weight ratios (LN2/LO2) were analyzed for their applicability to impurity sensing. The study of the sensor performance with different excitation light sources has helped to design a miniaturized, cost-effective system for this application. The optimal system response time of this miniaturized sensor for LN2/LO2 measurement was found to be in the range of a few seconds. It will need to be further reduced to the millisecond range for real-time, quantitative monitoring of the quality of cryogenic fluids in a harsh envioronment.

  19. Identification and Quantification of Explosives in Nanolitre Solution Volumes by Raman Spectroscopy in Suspended Core Optical Fibers

    Directory of Open Access Journals (Sweden)

    Tanya M. Monro

    2013-09-01

    Full Text Available A novel approach for identifying explosive species is reported, using Raman spectroscopy in suspended core optical fibers. Numerical simulations are presented that predict the strength of the observed signal as a function of fiber geometry, with the calculated trends verified experimentally and used to optimize the sensors. This technique is used to identify hydrogen peroxide in water solutions at volumes less than 60 nL and to quantify microgram amounts of material using the solvent’s Raman signature as an internal calibration standard. The same system, without further modifications, is also used to detect 1,4-dinitrobenzene, a model molecule for nitrobenzene-based explosives such as 2,4,6-trinitrotoluene (TNT.

  20. Vibration Monitoring Using Fiber Optic Sensors in a Lead-Bismuth Eutectic Cooled Nuclear Fuel Assembly †

    Science.gov (United States)

    De Pauw, Ben; Lamberti, Alfredo; Ertveldt, Julien; Rezayat, Ali; van Tichelen, Katrien; Vanlanduit, Steve; Berghmans, Francis

    2016-01-01

    Excessive fuel assembly vibrations in nuclear reactor cores should be avoided in order not to compromise the lifetime of the assembly and in order to prevent the occurrence of safety hazards. This issue is particularly relevant to new reactor designs that use liquid metal coolants, such as, for example, a molten lead-bismuth eutectic. The flow of molten heavy metal around and through the fuel assembly may cause the latter to vibrate and hence suffer degradation as a result of, for example, fretting wear or mechanical fatigue. In this paper, we demonstrate the use of optical fiber sensors to measure the fuel assembly vibration in a lead-bismuth eutectic cooled installation which can be used as input to assess vibration-related safety hazards. We show that the vibration characteristics of the fuel pins in the fuel assembly can be experimentally determined with minimal intrusiveness and with high precision owing to the small dimensions and properties of the sensors. In particular, we were able to record local strain level differences of about 0.2 μϵ allowing us to reliably estimate the vibration amplitudes and modal parameters of the fuel assembly based on optical fiber sensor readings during different stages of the operation of the facility, including the onset of the coolant circulation and steady-state operation. PMID:27110782

  1. Computational Modeling of the Size Effects on the Optical Vibrational Modes of H-Terminated Ge Nanostructures

    Directory of Open Access Journals (Sweden)

    Miguel Cruz-Irisson

    2013-04-01

    Full Text Available The vibrational dispersion relations of porous germanium (pGe and germanium nanowires (GeNWs were calculated using the ab initio density functional perturbation theory with a generalized gradient approximation with norm-conserving pseudopotentials. Both pores and nanowires were modeled using the supercell technique. All of the surface dangling bonds were saturated with hydrogen atoms. To address the difference in the confinement between the pores and the nanowires, we calculated the vibrational density of states of the two materials. The results indicate that there is a slight shift in the highest optical mode of the Ge-Ge vibration interval in all of the nanostructures due to the phonon confinement effects. The GeNWs exhibit a reduced phonon confinement compared with the porous Ge due to the mixed Ge-dihydride vibrational modes around the maximum bulk Ge optical mode of approximately 300 cm−1; however, the general effects of such confinements could still be noticed, such as the shift to lower frequencies of the highest optical mode belonging to the Ge vibrations.

  2. Raman spectroscopy of blood in-vitro

    Science.gov (United States)

    Villanueva-Luna, A. E.; Castro-Ramos, J.; Vazquez-Montiel, S.; Flores-Gil, A.; Ortiz-Lima, C. M.; Delgado-Atencio, J. A.

    2012-03-01

    We present Raman spectra from a sample of 8 volunteers that have different type of blood. The experimental data were carried out using a 785 nm excitation laser and an ocean optics spectrometer of 6 cm-1 resolution, with a used spectral region from 1000 to 1800 cm-1. We find Raman features at 1000 and 1542 cm-1 regarded with hemoglobin and its derivatives. Also we find Raman features at 1248 and 1342 cm-1 that are now regarded with pure fibrin. In this work, we use Principal Component analysis (PCA) to determine all variations of our samples, which allows us to define a classification of the influence of the blood type. Finally, we found vibrational lines of cholesterol, glucose and triglycerides that are reported in literature.

  3. Quantum and Raman Noise in a Depleted Fiber Optical Parametric Amplifier

    DEFF Research Database (Denmark)

    Friis, Søren Michael Mørk; Rottwitt, Karsten; McKinstrie, Colin J.

    2013-01-01

    The noise properties of both phase-sensitive and phase-insensitive saturated parametric amplifiers are studied using a semi-classical approach. Vacuum fluctuations as well as spontaneous Raman scattering are included in the analysis.......The noise properties of both phase-sensitive and phase-insensitive saturated parametric amplifiers are studied using a semi-classical approach. Vacuum fluctuations as well as spontaneous Raman scattering are included in the analysis....

  4. Pressure-dependent optical and vibrational properties of monolayer molybdenum disulfide

    KAUST Repository

    Nayak, Avinash P.

    2015-01-14

    Controlling the band gap by tuning the lattice structure through pressure engineering is a relatively new route for tailoring the optoelectronic properties of two-dimensional (2D) materials. Here, we investigate the electronic structure and lattice vibrational dynamics of the distorted monolayer 1T-MoS2 (1T′) and the monolayer 2H-MoS2 via a diamond anvil cell (DAC) and density functional theory (DFT) calculations. The direct optical band gap of the monolayer 2H-MoS2 increases by 11.7% from 1.85 to 2.08 eV, which is the highest reported for a 2D transition metal dichalcogenide (TMD) material. DFT calculations reveal a subsequent decrease in the band gap with eventual metallization of the monolayer 2H-MoS2, an overall complex structure-property relation due to the rich band structure of MoS2. Remarkably, the metastable 1T′-MoS2 metallic state remains invariant with pressure, with the J2, A1g, and E2g modes becoming dominant at high pressures. This substantial reversible tunability of the electronic and vibrational properties of the MoS2 family can be extended to other 2D TMDs. These results present an important advance toward controlling the band structure and optoelectronic properties of monolayer MoS2 via pressure, which has vital implications for enhanced device applications.

  5. Optical Fourier transform based in-plane vibration characterization for MEMS comb structure.

    Science.gov (United States)

    Gao, Yongfeng; Cao, Liangcai; You, Zheng; Zhao, Jiahao; Zhang, Zichen; Yang, Jianzhong

    2013-02-25

    On-line and on-wafer characterizations of mechanical properties of Micro-Electro-Mechanical-System (MEMS) with efficiency are very important to the mass production of MEMS foundry in the near future. However, challenges still remain. In this paper, we present an in-plane vibration characterizing method for MEMS comb using optical Fourier transform (OFT). In the experiment, the intensity distribution at the focal plane was captured to characterize the displacement of the vibrator in the MEMS comb structure. A typical MEMS comb was tested to verify the principle. The shape and the movement of MEMS comb was imitated and tested to calibrate the measurement by using a spatial light modulator (SLM). The relative standard deviations (RSD) of the measured displacements were better than 5%, where the RSD is defined as the ratio of the standard deviation to the mean. It is convinced that the presented method is feasible for on-line and on-wafer characterizations for MEMS with great convenience, high efficiency and low cost.

  6. Vibrational spectroscopic, structural and nonlinear optical activity studies on 6-aminonicotinamide: A DFT approach

    Science.gov (United States)

    Asath, R. Mohamed; Premkumar, S.; Rekha, T. N.; Jawahar, A.; Mathavan, T.; Benial, A. Milton Franklin

    2016-05-01

    The conformational analysis was carried out for 6-aminonicotinamide (ANA) using potential energy surface scan method and the most stable optimized conformer was predicted. The theoretical vibrational frequencies were calculated for the optimized geometry using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program. The Mulliken atomic charge values were calculated. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intermolecular charge transfer studies and the related molecular properties were calculated. The ultraviolet-visible spectrum was simulated for both in the gas phase and liquid phase (ethanol) and the л to л* electronic transition was predicted. The nonlinear optical (NLO) activity was studied by means of the first order hyperpolarizability value, which was 8.61 times greater than the urea and the natural bond orbital analysis was also performed to confirm the NLO activity of the molecule. Hence, the ANA molecule is a promising candidate for the NLO materials.

  7. Vibrational spectroscopic, structural and nonlinear optical activity studies on 6-aminonicotinamide: A DFT approach

    Energy Technology Data Exchange (ETDEWEB)

    Asath, R. Mohamed; Premkumar, S.; Mathavan, T.; Benial, A. Milton Franklin, E-mail: miltonfranklin@yahoo.com [Department of Physics, N.M.S.S.V.N College, Madurai-625019, Tamilnadu (India); Rekha, T. N. [PG & Research Department of Physics, Lady Doak College, Madurai 625002, Tamilnadu (India); Jawahar, A. [Department of Chemistry, N.M.S.S.V.N College, Madurai-625019, Tamilnadu (India)

    2016-05-23

    The conformational analysis was carried out for 6-aminonicotinamide (ANA) using potential energy surface scan method and the most stable optimized conformer was predicted. The theoretical vibrational frequencies were calculated for the optimized geometry using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program. The Mulliken atomic charge values were calculated. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intermolecular charge transfer studies and the related molecular properties were calculated. The ultraviolet-visible spectrum was simulated for both in the gas phase and liquid phase (ethanol) and the π to π* electronic transition was predicted. The nonlinear optical (NLO) activity was studied by means of the first order hyperpolarizability value, which was 8.61 times greater than the urea and the natural bond orbital analysis was also performed to confirm the NLO activity of the molecule. Hence, the ANA molecule is a promising candidate for the NLO materials.

  8. Proof-of-concept demonstration of free-form optics enhanced confocal Raman spectroscopy in combination with optofluidic lab-on-chip

    Science.gov (United States)

    Liu, Qing; De Coster, Diane; Loterie, Damien; Van Erps, Jürgen; Vervaeke, Michael; Missinne, Jeroen; Thienpont, Hugo; Ottevaere, Heidi

    2016-07-01

    Raman spectroscopy is a powerful optical and non-destructive technique and a well-known method for analysis purposes, especially to determine the molecular fingerprint of substances. Traditionally, such analyses are done in a specialized lab, with considerable requirements in terms of equipment, time and manual sampling of substances of interest. In this paper we take a step from bulky Raman spectroscopy laboratory analyses towards lab-on-chip (LOC) analyses. We present an optofluidic lab-on-chip for confocal Raman spectroscopy, which can be used for the analysis of liquids. The confocal detection suppresses the unwanted background from the polymer material out of which the chip is fabricated. We design the free-form optical reflector using non-sequential ray-tracing combined with a mathematical code to simulate the Raman scattering behavior of the substance under test. We prototype the device in Polymethyl methacrylate (PMMA) by means of ultraprecision diamond tooling. In a proof-of-concept demonstration, we first show the confocal behavior of our Raman lab-on-chip system by measuring the Raman spectrum of ethanol. In a next step, we compare the Raman spectra measured in our lab-on-chip with spectra measured with a commercial Raman spectrometer. Finally, to calibrate the system we perform Raman measurements on urea solutions with different concentrations. We achieve a detection limit that corresponds to a noise equivalent concentration of 20mM. Apart from strongly reducing the background perturbations, our confocal Raman spectroscopy system has other advantages as well. The reflector design is robust from a mechanical point of view and has the potential for mass-manufacturing using hot embossing or injection molding.

  9. Crystal growth, vibrational, optical, thermal and theoretical studies of a nonlinear optical material: 2-Methyl 3,5-dinitrobenzoic acid

    Energy Technology Data Exchange (ETDEWEB)

    Sangeetha, K. [Department of Physics, Sri Sarada College for Women, Salem-16 (India); Guru Prasad, L. [Department of Science & Humanities, M. Kumarasamy College of Engineering, Karur (India); Mathammal, R. [Department of Physics, Sri Sarada College for Women, Salem-16 (India)

    2016-11-15

    Single crystals of 2-methyl 3,5-dinitro benzoic acid with reasonable size have been grown by slow evaporation solution growth method using ethanol as solvent. Quantum chemical calculation of 2-methyl 3,5-Dinitro benzoic acid was carried out by using DFT/B3LYP/6-31+G(d,p) method. The powder X-ray diffraction pattern was recorded and indexed. Both the experimental and theoretical vibrational spectrum validates the presence of functional groups. Polarizability, first order hyperpolarizability and the electric dipole moment values have been computed theoretically. The {sup 1}H and {sup 13}C NMR chemical shift of the molecule was calculated and compared with experimental results. TG/DSC analysis has been employed to understand the thermal and physio-chemical stability of the title compound. Frequency conversion property of the crystal was tested by Kurtz and Perry method. Optical absorption behavior of the grown crystal was examined by recording the optical spectrum and band gap energy was also estimated. The calculated HOMO and LUMO energy shows the charge transfer nature of the molecule.

  10. Optical absorptions and Raman scattering of metalloporphycenes reveal electronic and vibronic properties distinct from those of metalloporphyrins

    Energy Technology Data Exchange (ETDEWEB)

    Oertling, W.A.; Wu, Weishih; Lopez-Garriga, J.J.; Kim, Younkyoo; Chang, Chi, K. (Michigan State Univ., East Lansing (USA))

    1991-01-02

    The newly synthesized metalloporphycenes represent a class of molecules that are structural isomers of metalloporphyrins. In particular, the Ni{sup II} and Cu{sup II} complexes of 2,7,12,17-tetrapropylporphycene (NiPPC and CuPPC) display UV-visible absorption and resonance Raman (RR) spectra superficially like those of analogous complexes of octaethylporphyrin (OEP). However, close examination of absorption band positions and spectral shifts caused by metal substitution and ring bromination, as well as relative oscillator strengths, suggest that, unlike those of metalloporphyrins, the {pi} {yields} {pi}* states of NiPPC and CuPPC are adequately defined by one-electron wave functions. Thus, the {pi}-electron configuration interaction that gives rise to Gouterman's Q and B metalloporphyrin excited states is weak in metalloporphycenes. Rather, these novel complexes appear to be a near-perfect example of Platt's long-field molecules. Raman spectra in resonance with the major absorptions of CuPPC show little evidence of Jahn-Teller or Herzber-Teller coupling. Thus, the rich vibronic coupling present in metalloporphyrins giving rise to the celebrated anomalously polarized scattering most likely does not complicate the spectra of metalloporphycenes. Vibrational analyses of RR spectra of specifically deuterated derivatives of NiPPC give some insight into the normal mode compositions.

  11. Optical diagnostic of hepatitis B (HBV) and C (HCV) from human blood serum using Raman spectroscopy

    Science.gov (United States)

    Anwar, Shahzad; Firdous, Shamaraz

    2015-06-01

    Hepatitis is the second most common disease worldwide with half of the cases arising in the developing world. The mortality associated with hepatitis B and C can be reduced if the disease is detected at the early stages of development. The aim of this study was to investigate the potential of Raman spectroscopy as a diagnostic tool to detect biochemical changes accompanying hepatitis progression. Raman spectra were acquired from 20 individuals with six hepatitis B infected patients, six hepatitis C infected patients and eight healthy patients in order to gain an insight into the determination of biochemical changes for early diagnostic. The human blood serum was examined at a 532 nm excitation laser source. Raman characteristic peaks were observed in normal sera at 1006, 1157 and 1513 cm-1, while in the case of hepatitis B and C these peaks were found to be blue shifted with decreased intensity. New Raman peaks appeared in HBV and HCV infected sera at 1194, 1302, 844, 905, 1065 and 1303 cm-1 respectively. A Mat lab subroutine and frequency domain filter program is developed and applied to signal processing of Raman scattering data. The algorithms have been successfully applied to remove the signal noise found in experimental scattering signals. The results show that Raman spectroscopy displays a high sensitivity to biochemical changes in blood sera during disease progression resulting in exceptional prediction accuracy when discriminating between normal and malignant. Raman spectroscopy shows enormous clinical potential as a rapid non-invasive diagnostic tool for hepatitis and other infectious diseases.

  12. Ultra-High Temperature Sensors Based on Optical Property Modulation and Vibration-Tolerant Interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Nabeel A. Riza

    2006-09-30

    The goals of the Year 2006 Continuation Phase 2 three months period (April 1 to Sept. 30) of this project were to (a) conduct a probe elements industrial environment feasibility study and (b) fabricate embedded optical phase or microstructured SiC chips for individual gas species sensing. Specifically, SiC chips for temperature and pressure probe industrial applications were batch fabricated. Next, these chips were subject to a quality test for use in the probe sensor. A batch of the best chips for probe design were selected and subject to further tests that included sensor performance based on corrosive chemical exposure, power plant soot exposure, light polarization variations, and extreme temperature soaking. Experimental data were investigated in detail to analyze these mentioned industrial parameters relevant to a power plant. Probe design was provided to overcome mechanical vibrations. All these goals have been achieved and are described in detail in the report. The other main focus of the reported work is to modify the SiC chip by fabricating an embedded optical phase or microstructures within the chip to enable gas species sensing under high temperature and pressure. This has been done in the Kar UCF Lab. using a laser-based system whose design and operation is explained. Experimental data from the embedded optical phase-based chip for changing temperatures is provided and shown to be isolated from gas pressure and species. These design and experimentation results are summarized to give positive conclusions on the proposed high temperature high pressure gas species detection optical sensor technology.

  13. Analysis of fiber optic gyroscope vibration error based on improved local mean decomposition and kernel principal component analysis.

    Science.gov (United States)

    Song, Rui; Chen, Xiyuan

    2017-03-10

    The fiber optic gyroscope (FOG), one version of an all solid-state rotation sensor, has been widely used in navigation and position applications. However, the elastic-optic effect of fiber will introduce a non-negligible error in the output of FOG in a vibration and shock environment. To overcome the limitations of mechanism structure improvement methods and the traditional nonlinear analysis approaches, a hybrid algorithm of an optimized local mean decomposition-kernel principal component analysis (OLMD-KPCA) method is proposed in this paper. The vibration signal features of higher frequency components are analyzed by OLMD and their energy is calculated to take shape as the input vector of KPCA. In addition, the output data of three axis gyroscopes in an inertial measurement unit (IMU) under vibration experiment are used to validate the effectiveness and generalization ability of the proposed approach. When compared to the wavelet transform (WT), experimental results demonstrate that the OLMD-KPCA method greatly reduces the vibration noise in the FOG output. Besides, the Allan variance analysis results indicate the error coefficients could be decreased by one order of magnitude and the algorithm stability of OLMD-KPCA is proven by another two sets of data under different vibration conditions.

  14. Enhancement of Optical Adaptive Sensing by Using a Dual-Stage Seesaw-Swivel Actuator with a Tunable Vibration Absorber

    Directory of Open Access Journals (Sweden)

    Po-Chien Chou

    2011-05-01

    Full Text Available Technological obstacles to the use of rotary-type swing arm actuators to actuate optical pickup modules in small-form-factor (SFF disk drives stem from a hinge’s skewed actuation, subsequently inducing off-axis aberrations and deteriorating optical quality. This work describes a dual-stage seesaw-swivel actuator for optical pickup actuation. A triple-layered bimorph bender made of piezoelectric materials (PZTs is connected to the suspension of the pickup head, while the tunable vibration absorber (TVA unit is mounted on the seesaw swing arm to offer a balanced force to reduce vibrations in a focusing direction. Both PZT and TVA are designed to satisfy stable focusing operation operational requirements and compensate for the tilt angle or deformation of a disc. Finally, simulation results verify the performance of the dual-stage seesaw-swivel actuator, along with experimental procedures and parametric design optimization confirming the effectiveness of the proposed system.

  15. Quartz microfluidic chip for tumour cell identification by Raman spectroscopy in combination with optical traps.

    Science.gov (United States)

    Dochow, Sebastian; Beleites, Claudia; Henkel, Thomas; Mayer, Günter; Albert, Jens; Clement, Joachim; Krafft, Christoph; Popp, Jürgen

    2013-03-01

    Three important technical innovations are reported here towards Raman-activated cell sorting. Firstly, a microfluidic chip made of quartz is introduced which integrates injection of single cells, trapping by laser fibres and sorting of cells. Secondly, a chip holder was designed to provide simple, accurate and stable adjustment of chips, microfluidic connections and the trapping laser fibres. The new setup enables to the collection of Raman spectra of single cells at 785 nm excitation with 10 s exposure time. Lastly, a new type of modelling the various background contributions is described, improving Raman-based cell identification by the classification algorithm linear discriminant analysis. Mean sensitivity and specificity determined by iterated 10-fold cross validation were 96 and 99 %, respectively, for the distinction of leucocytes extracted from blood, breast cancer cells BT-20 and MCF-7, and leukaemia cells OCI-AML3.

  16. Femtosecond time-resolved impulsive stimulated Raman spectroscopy using sub-7-fs pulses: Apparatus and applications

    Energy Technology Data Exchange (ETDEWEB)

    Kuramochi, Hikaru [Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa, Wako 351-0198 (Japan); Takeuchi, Satoshi; Tahara, Tahei, E-mail: tahei@riken.jp [Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa, Wako 351-0198 (Japan); Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics (RAP), 2-1 Hirosawa, Wako 351-0198 (Japan)

    2016-04-15

    We describe details of the setup for time-resolved impulsive stimulated Raman spectroscopy (TR-ISRS). In this method, snapshot molecular vibrational spectra of the photoreaction transients are captured via time-domain Raman probing using ultrashort pulses. Our instrument features transform-limited sub-7-fs pulses to impulsively excite and probe coherent nuclear wavepacket motions, allowing us to observe vibrational fingerprints of transient species from the terahertz to 3000-cm{sup −1} region with high sensitivity. Key optical components for the best spectroscopic performance are discussed. The TR-ISRS measurements for the excited states of diphenylacetylene in cyclohexane are demonstrated, highlighting the capability of our setup to track femtosecond dynamics of all the Raman-active fundamental molecular vibrations.

  17. The Raman Contribution to the Intensity Dependent Refractive Index in Optical Fibers

    DEFF Research Database (Denmark)

    Pedersen, Martin Erland Vestergaard; Pálsson, Tómas; Jespersen, Kim G.

    2011-01-01

    We report on the Raman contribution to the intensity dependent refractive index in step-index fibers with germanium doped silica core. The fR value is found to be 0.157 ± 0.07 for a field weighted germanium concentration between 5 and 25 mol %.......We report on the Raman contribution to the intensity dependent refractive index in step-index fibers with germanium doped silica core. The fR value is found to be 0.157 ± 0.07 for a field weighted germanium concentration between 5 and 25 mol %....

  18. Tip-enhanced near-field optical microscope with side-on and ATR-mode sample excitation for super-resolution Raman imaging of surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Heilman, A. L.; Gordon, M. J. [Department of Chemical Engineering, University of California Santa Barbara, Santa Barbara, California 93106-5080 (United States)

    2016-06-14

    A tip-enhanced near-field optical microscope with side-on and attenuated total reflectance (ATR) excitation and collection is described and used to demonstrate sub-diffraction-limited (super-resolution) optical and chemical characterization of surfaces. ATR illumination is combined with an Au optical antenna tip to show that (i) the tip can quantitatively transduce the optical near-field (evanescent waves) above the surface by scattering photons into the far-field, (ii) the ATR geometry enables excitation and characterization of surface plasmon polaritons (SPPs), whose associated optical fields are shown to enhance Raman scattering from a thin layer of copper phthalocyanine (CuPc), and (iii) SPPs can be used to plasmonically excite the tip for super-resolution chemical imaging of patterned CuPc via tip-enhanced Raman spectroscopy (TERS). ATR-illumination TERS is also quantitatively compared with the more conventional side-on illumination scheme. In both cases, spatial resolution was better than 40 nm and tip on/tip off Raman enhancement factors were >6500. Furthermore, ATR illumination was shown to provide similar Raman signal levels at lower “effective” pump powers due to additional optical energy delivered by SPPs to the active region in the tip-surface gap.

  19. In vivo Raman measurement of levofloxacin lactate in blood using a nanoparticle-coated optical fiber probe

    Science.gov (United States)

    Liu, Shupeng; Rong, Ming; Zhang, Heng; Chen, Na; Pang, Fufei; Chen, Zhenyi; Wang, Tingyun; Yan, Jianshe

    2016-01-01

    Monitoring drug concentrations in vivo is very useful for adjusting a drug dosage during treatment and for drug research. Specifically, cutting-edge “on-line” drug research relies on knowing how drugs are metabolized or how they interact with the blood in real-time. Thus, this study explored performing in vivo Raman measurements of the model drug levofloxacin lactate in the blood using a nanoparticle-coated optical fiber probe (optical fiber nano-probe). The results show that we were able to measure real-time changes in the blood concentration of levofloxacin lactate, suggesting that this technique could be helpful for performing drug analyses and drug monitoring in a clinical setting without repeatedly withdrawing blood from patients. PMID:27231590

  20. Optical properties of individual nano-sized gold particle pairs. Mie-scattering, fluorescence, and Raman-scattering

    Energy Technology Data Exchange (ETDEWEB)

    Olk, Phillip

    2008-07-01

    This thesis examines and exploits the optical properties of pairs of MNPs. Pairs of MNPs offer two further parameters not existent at single MNPs, which both affect the local optical fields in their vicinity: the distance between them, and their relative orientation with respect to the polarisation of the excitation light. These properties are subject of three chapters: One section examines the distance-dependent and orientation-sensitive scattering cross section (SCS) of two equally sized MNPs. Both near- and far-field interactions affect the spectral position and spectral width of the SCS. Far-field coupling affects the SCS even in such a way that a two-particle system may show both a blue- and redshifted SCS, depending only on the distance between the two MNPs. The maximum distance for this effect is the coherence length of the illumination source - a fact of importance for SCS-based experiments using laser sources. Another part of this thesis examines the near-field between two MNPs and the dependence of the locally enhanced field on the relative particle orientation with respect to the polarisation of the excitation light. To attain a figure of merit, the intensity of fluorescence light from dye molecules in the surrounding medium was measured at various directions of polarisation. The field enhancement was turned into fluorescence enhancement, even providing a means for sensing the presence of very small MNPs of 12 nm in diameter. In order to quantify the near-field experimentally, a different technique is devised in a third section of this thesis - scanning particle-enhanced Raman microscopy (SPRM). This device comprises a scanning probe carrying an MNP which in turn is coated with a molecule of known Raman signature. By manoeuvring this outfit MNP into the vicinity of an illuminated second MNP and by measuring the Raman signal intensity, a spatial mapping of the field enhancement was possible. (orig.)

  1. Raman spectroscopy for cancer detection and characterization in metastasis models

    Science.gov (United States)

    Koga, Shigehiro; Oshima, Yusuke; Sato, Mitsunori; Ishimaru, Kei; Yoshida, Motohira; Yamamoto, Yuji; Matsuno, Yusuke; Watanabe, Yuji

    2017-02-01

    Raman spectroscopy provides a wealth of diagnostic information to the surgeon with in situ cancer detection and label-free histopathology in clinical practice. Raman spectroscopy is a developing optical technique which can analyze biological tissues with light scattering. The difference in frequencies between the incident light and the scattering light are called Raman shifts, which correspond to the vibrational energy of the molecular bonds. Raman spectrum gives information about the molecular structure and composition in biological specimens. We had been previously reported that Raman spectroscopy could distinguish various histological types of human lung cancer cells from normal cells in vitro. However, to identify and detect cancer diagnostic biomarkers in vivo on Raman spectroscopy is still challenging, because malignancy can be characterized not only by the cancer cells but also by the environmental factors including immune cells, stroma cells, secretion vesicles and extracellular matrix. Here we investigate morphological and molecular dynamics in both cancer cells and their environment in xenograft models and spontaneous metastasis models using Raman spectroscopy combined with fluorescence microscopy and photoluminescence imaging. We are also constructing a custom-designed Raman spectral imaging system for both in vitro and in vivo assay of tumor tissues to reveal the metastasis process and to evaluate therapeutic effects of anti-cancer drugs and their drug delivery toward the clinical application of the technique.

  2. A surface-enhanced Raman scattering (SERS-active optical fiber sensor based on a three-dimensional sensing layer

    Directory of Open Access Journals (Sweden)

    Chunyu Liu

    2014-08-01

    Full Text Available To fabricate a new surface-enhanced Raman scattering (SERS-active optical fiber sensor, the design and preparation of SERS-active sensing layer is one of important topics. In this study, we fabricated a highly sensitive three-dimensional (3D SERS-active sensing layer on the optical fiber terminal via in situ polymerizing a porous polymer material on a flat optical fiber terminal through thermal-induced process, following with the photochemical silver nanoparticles growth. The polymerized polymer formed a 3D porous structure with the pore size of 0.29–0.81 μm, which were afterward decorated with abundant silver nanoparticles with the size of about 100 nm, allowing for higher SERS enhancement. This SERS-active optical fiber sensor was applied for the determination of 4-mercaptopyridine, crystal violet and maleic acid The enhancement factor of this SERS sensing layer can be reached as about 108. The optical fiber sensor with high sensitive SERS-active porous polymer is expected for online analysis and environment detection.

  3. Performance Analysis of a Hybrid Raman Optical Parametric Amplifier in the O- and E-Bands for CWDM PONs

    Directory of Open Access Journals (Sweden)

    Sasanthi Peiris

    2014-12-01

    Full Text Available We describe a hybrid Raman-optical parametric amplifier (HROPA operating at the O- and E-bands and designed for coarse wavelength division multiplexed (CWDM passive optical networks (PONs. We present the mathematical model and simulation results for the optimization of this HROPA design. Our analysis shows that separating the two amplification processes allows for optimization of each one separately, e.g., proper selection of pump optical powers and wavelengths to achieve maximum gain bandwidth and low gain ripple. Furthermore, we show that the proper design of optical filters incorporated in the HROPA architecture can suppress idlers generated during the OPA process, as well as other crosstalk that leaks through the passive optical components. The design approach enables error free performance for all nine wavelengths within the low half of the CWDM band, assigned to upstream traffic in a CWDM PON architecture, for all possible transmitter wavelength misalignments (±6 nm from the center wavelength of the channel band. We show that the HROPA can achieve error-free performance with a 170-nm gain bandwidth (e.g., 1264 nm–1436 nm, a gain of >20 dB and a gain ripple of <4 dB.

  4. Raman spectroscopic study of plasma-treated salmon DNA

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Geon Joon; Kim, Yong Hee; Choi, Eun Ha [Plasma Bioscience Research Center, Kwangwoon University, Seoul 139-701 (Korea, Republic of); Kwon, Young-Wan [Department of Chemistry, Korea University, Seoul 136-701 (Korea, Republic of)

    2013-01-14

    In this research, we studied the effect of plasma treatment on the optical/structural properties of the deoxyribonucleic acid (DNA) extracted from salmon sperm. DNA-cetyltrimethylammonium (CTMA) films were obtained by complexation of DNA with CTMA. Circular dichroism (CD) and Raman spectra indicated that DNA retained its double helical structure in the solid film. The Raman spectra exhibited several vibration modes corresponding to the nuclear bases and the deoxyribose-phosphate backbones of the DNA, as well as the alkylchains of CTMA. Dielectric-barrier-discharge (DBD) plasma treatment induced structural modification and damage to the DNA, as observed by changes in the ultraviolet-visible absorption, CD, and Raman spectra. The optical emission spectra of the DBD plasma confirmed that DNA modification was induced by plasma ions such as reactive oxygen species and reactive nitrogen species.

  5. APPLICATION OF THE SPECTRUM ANALYSIS WITH USING BERG METHOD TO DEVELOPED SPECIAL SOFTWARE TOOLS FOR OPTICAL VIBRATION DIAGNOSTICS SYSTEM

    Directory of Open Access Journals (Sweden)

    E. O. Zaitsev

    2016-01-01

    Full Text Available The objective of this paper is development and experimental verification special software of spectral analysis. Spectral analysis use of controlled vibrations objects. Spectral analysis of vibration based on use maximum-entropy autoregressive method of spectral analysis by the Berg algorithm. For measured signals use preliminary analysis based on regression analysis. This analysis of the signal enables to eliminate uninformative parameters such as – the noise and the trend. For preliminary analysis developed special software tools. Non-contact measurement of mechanical vibrations parameters rotating diffusely-reflecting surfaces used in circumstances where the use of contact sensors difficult or impossible for a number of reasons, including lack of access to the object, the small size of the controlled area controlled portion has a high temperature or is affected by strong electromagnetic fields. For control use offered laser measuring system. This measuring system overcomes the shortcomings interference or Doppler optical measuring systems. Such as measure the large amplitude and inharmonious vibration. On the basis of the proposed methods developed special software tools for use measuring laser system. LabVIEW using for developed special software. Experimental research of the proposed method of vibration signals processing is checked in the analysis of the diagnostic information obtained by measuring the vibration system grinding diamond wheel cold solid tungsten-containing alloy TK8. A result of work special software tools was complex spectrum obtained «purified» from non-informative parameters. Spectrum of the signal corresponding to the vibration process observed object. 

  6. Optical cell for combinatorial in situ Raman spectroscopic measurements of hydrogen storage materials at high pressures and temperatures.

    Science.gov (United States)

    Hattrick-Simpers, Jason R; Hurst, Wilbur S; Srinivasan, Sesha S; Maslar, James E

    2011-03-01

    An optical cell is described for high-throughput backscattering Raman spectroscopic measurements of hydrogen storage materials at pressures up to 10 MPa and temperatures up to 823 K. High throughput is obtained by employing a 60 mm diameter × 9 mm thick sapphire window, with a corresponding 50 mm diameter unobstructed optical aperture. To reproducibly seal this relatively large window to the cell body at elevated temperatures and pressures, a gold o-ring is employed. The sample holder-to-window distance is adjustable, making this cell design compatible with optical measurement systems incorporating lenses of significantly different focal lengths, e.g., microscope objectives and single element lenses. For combinatorial investigations, up to 19 individual powder samples can be loaded into the optical cell at one time. This cell design is also compatible with thin-film samples. To demonstrate the capabilities of the cell, in situ measurements of the Ca(BH(4))(2) and nano-LiBH(4)-LiNH(2)-MgH(2) hydrogen storage systems at elevated temperatures and pressures are reported.

  7. Optical cell for combinatorial in situ Raman spectroscopic measurements of hydrogen storage materials at high pressures and temperatures

    Science.gov (United States)

    Hattrick-Simpers, Jason R.; Hurst, Wilbur S.; Srinivasan, Sesha S.; Maslar, James E.

    2011-03-01

    An optical cell is described for high-throughput backscattering Raman spectroscopic measurements of hydrogen storage materials at pressures up to 10 MPa and temperatures up to 823 K. High throughput is obtained by employing a 60 mm diameter × 9 mm thick sapphire window, with a corresponding 50 mm diameter unobstructed optical aperture. To reproducibly seal this relatively large window to the cell body at elevated temperatures and pressures, a gold o-ring is employed. The sample holder-to-window distance is adjustable, making this cell design compatible with optical measurement systems incorporating lenses of significantly different focal lengths, e.g., microscope objectives and single element lenses. For combinatorial investigations, up to 19 individual powder samples can be loaded into the optical cell at one time. This cell design is also compatible with thin-film samples. To demonstrate the capabilities of the cell, in situ measurements of the Ca(BH4)2 and nano-LiBH4-LiNH2-MgH2 hydrogen storage systems at elevated temperatures and pressures are reported.

  8. Tip-enhanced near-field Raman spectroscopy with a scanning tunneling microscope and side-illumination optics.

    Science.gov (United States)

    Yi, K J; He, X N; Zhou, Y S; Xiong, W; Lu, Y F

    2008-07-01

    Conventional Raman spectroscopy (RS) suffers from low spatial resolution and low detection sensitivity due to the optical diffraction limit and small interaction cross sections. It has been reported that a highly localized and significantly enhanced electromagnetic field could be generated in the proximity of a metallic tip illuminated by a laser beam. In this study, a tip-enhanced RS system was developed to both improve the resolution and enhance the detection sensitivity using the tip-enhanced near-field effects. This instrument, by combining RS with a scanning tunneling microscope and side-illumination optics, demonstrated significant enhancement on both optical sensitivity and spatial resolution using either silver (Ag)-coated tungsten (W) tips or gold (Au) tips. The sensitivity improvement was verified by observing the enhancement effects on silicon (Si) substrates. Lateral resolution was verified to be below 100 nm by mapping Ag nanostructures. By deploying the depolarization technique, an apparent enhancement of 175% on Si substrates was achieved. Furthermore, the developed instrument features fast and reliable optical alignment, versatile sample adaptability, and effective suppression of far-field signals.

  9. Localized surface plasmon resonances in nanostructures to enhance nonlinear vibrational spectroscopies: towards an astonishing molecular sensitivity

    Directory of Open Access Journals (Sweden)

    Dan Lis

    2014-11-01

    Full Text Available Vibrational transitions contain some of the richest fingerprints of molecules and materials, providing considerable physicochemical information. Vibrational transitions can be characterized by different spectroscopies, and alternatively by several imaging techniques enabling to reach sub-microscopic spatial resolution. In a quest to always push forward the detection limit and to lower the number of needed vibrational oscillators to get a reliable signal or imaging contrast, surface plasmon resonances (SPR are extensively used to increase the local field close to the oscillators. Another approach is based on maximizing the collective response of the excited vibrational oscillators through molecular coherence. Both features are often naturally combined in vibrational nonlinear optical techniques. In this frame, this paper reviews the main achievements of the two most common vibrational nonlinear optical spectroscopies, namely surface-enhanced sum-frequency generation (SE-SFG and surface-enhanced coherent anti-Stokes Raman scattering (SE-CARS. They can be considered as the nonlinear counterpart and/or combination of the linear surface-enhanced infrared absorption (SEIRA and surface-enhanced Raman scattering (SERS techniques, respectively, which are themselves a branching of the conventional IR and spontaneous Raman spectroscopies. Compared to their linear equivalent, those nonlinear vibrational spectroscopies have proved to reach higher sensitivity down to the single molecule level, opening the way to astonishing perspectives for molecular analysis.

  10. Optical fiber macro-bend seismic sensor for real-time vibration monitoring in harsh industrial environment

    Science.gov (United States)

    Poczęsny, T.; Prokopczuk, K.; Makowski, P. L.; Domański, A. W.

    2011-05-01

    Condition monitoring of electromechanical equipment for heavy industry places special requirements on the environmental sensors' construction. Widely available electronic devices can easily suffer from the electromagnetic interference or may pose fire hazard. An important category of dedicated sensing devices emerged during the expansion of fiber optic technology in the last few decades. In this paper, contributing in the basic research in the field, a novel kind of intrinsic intensity fiber optic vibration sensor is proposed. We present a fiber loop based opto-mechanical transducer utilized in two configurations: the inertial sensor system working as accelerometer and a distributed vibration sensor. The complete mathematical model for the latter type configuration has been introduced, as well as some results of preliminary experimental tests on both sensor concepts have been presented.

  11. A comparative evaluation of Raman and fluorescence spectroscopy for optical diagnosis of oral neoplasia

    Science.gov (United States)

    Majumder, S. K.; Krishna, H.; Sidramesh, M.; Chaturvedi, P.; Gupta, P. K.

    2011-08-01

    We report the results of a comparative evaluation of in vivo fluorescence and Raman spectroscopy for diagnosis of oral neoplasia. The study carried out at Tata Memorial Hospital, Mumbai, involved 26 healthy volunteers and 138 patients being screened for neoplasm of oral cavity. Spectral measurements were taken from multiple sites of abnormal as well as apparently uninvolved contra-lateral regions of the oral cavity in each patient. The different tissue sites investigated belonged to one of the four histopathology categories: 1) squamous cell carcinoma (SCC), 2) oral sub-mucous fibrosis (OSMF), 3) leukoplakia (LP) and 4) normal squamous tissue. A probability based multivariate statistical algorithm utilizing nonlinear Maximum Representation and Discrimination Feature for feature extraction and Sparse Multinomial Logistic Regression for classification was developed for direct multi-class classification in a leave-one-patient-out cross validation mode. The results reveal that the performance of Raman spectroscopy is considerably superior to that of fluorescence in stratifying the oral tissues into respective histopathologic categories. The best classification accuracy was observed to be 90%, 93%, 94%, and 89% for SCC, SMF, leukoplakia, and normal oral tissues, respectively, on the basis of leave-one-patient-out cross-validation, with an overall accuracy of 91%. However, when a binary classification was employed to distinguish spectra from all the SCC, SMF and leukoplakik tissue sites together from normal, fluorescence and Raman spectroscopy were seen to have almost comparable performances with Raman yielding marginally better classification accuracy of 98.5% as compared to 94% of fluorescence.

  12. Raman study of collective plasmon-longitudinal optical phonon excitations in cubic GaN and AlxGa1-xN epitaxial layers

    Science.gov (United States)

    Pusep, Yu. A.; Silva, M. T. O.; Fernandez, J. R. L.; Chitta, V. A.; Leite, J. R.; Frey, T.; As, D. J.; Schikora, D.; Lischka, K.

    2002-05-01

    The plasmon-longitudinal optical (LO) phonon collective excitations were studied by Raman scattering in cubic GaN doped with Si and in intrinsically doped cubic AlxGa1-xN alloys. The specific asymmetry of the corresponding Raman lines, associated with the dispersion of the coupled excitations was clearly detected in GaN. The spatial coherence of the relevant coupled oscillations was determined from the comparison of the experimental Raman spectra with the calculated ones. A broad line, which was previously attributed to the overdamped plasmon-LO phonon oscillations, was also observed in the GaN and AlxGa1-xN samples in the range between the transversal optical and LO phonon frequencies.

  13. 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

    to the redox state of the heme's iron ion, and to the presence of its sixth site, bound to exogenous ligand; O-2, NO or CO. However, in this study, the SERROA signals corresponding to these vibrations appear more sensitive to the Hb oxygen-binding properties than they appear in the SERRS or RRS. Moreover...

  14. Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid using ab initio HF and DFT method

    Science.gov (United States)

    Prabakaran, A.; Muthu, S.

    2012-12-01

    The FT-IR and FT-Raman spectra of (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid (2ADMA) were recorded in the region 4000-400 cm-1 and 4000-100 cm-1, respectively. The geometrical structure, harmonic vibrational frequency, infrared intensity, Raman activities and bonding features of this compound was carried out by ab initio HF and DFT methods with 6-31G (d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The electric dipole moment (μ) and the first-order hyperpolarizability (β0) values have been the computed quantum mechanically. The calculated HOMO and LUMO energies show that, the charge transfer occurs within the molecule. The charge delocalizations of these molecules have been analyzed using NBO analysis. The solvent effects have been calculated using TD-DFT in combination with the polarized continuum model (PCM), and the results are in good agreement with experimental measurements. The other molecular properties like Mulliken population analysis, electrostatic potential (ESP) and thermodynamic properties of the title compound at the different temperatures have been calculated. Finally, the calculation results were applied to simulate infrared and Raman spectra of the title compound which shows good agreement with observed spectra.

  15. Development of a Fiber-Optics Microspatially Offset Raman Spectroscopy Sensor for Probing Layered Materials.

    Science.gov (United States)

    Vandenabeele, Peter; Conti, Claudia; Rousaki, Anastasia; Moens, Luc; Realini, Marco; Matousek, Pavel

    2017-09-05

    Microspatially offset Raman spectroscopy (micro-SORS) has been proposed as a valuable approach to sample molecular information from layers that are covered by a turbid (nontransparent) layer. However, when large magnifications are involved, the approach is not straightforward, as spatial constraints exist to position the laser beam and the objective lens with the external beam delivery or, with internal beam delivery, the maximum spatial offset achievable is restricted. To overcome these limitations, we propose here a prototype of a new micro-SORS sensor, which uses bare glass fibers to transfer the laser radiation to the sample and to collect the Raman signal from a spatially offset zone to the Raman spectrometer. The concept also renders itself amenable to remote delivery and to the miniaturization of the probe head which could be beneficial for special applications, e.g., where access to sample areas is restricted. The basic applicability of this approach was demonstrated by studying several layered structure systems. Apart from proving the feasibility of the technique, also, practical aspects of the use of the prototype sensor are discussed.

  16. Application of spectroscopic methods (FT-IR, Raman, ECD and NMR) in studies of identification and optical purity of radezolid

    Science.gov (United States)

    Michalska, Katarzyna; Gruba, Ewa; Mizera, Mikołaj; Lewandowska, Kornelia; Bednarek, Elżbieta; Bocian, Wojciech; Cielecka-Piontek, Judyta

    2017-08-01

    In the presented study, N-{[(5S)-3-(2-fluoro-4‧-{[(1H-1,2,3-triazol-5-ylmethyl)amino]methyl}biphenyl-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide (radezolid) was synthesized and characterized using FT-IR, Raman, ECD and NMR. The aim of this work was to assess the possibility of applying classical spectral methods such as FT-IR, Raman, ECD and NMR spectroscopy for studies on the identification and optical purity of radezolid. The experimental interpretation of FT-IR and Raman spectra of radezolid was conducted in combination with theoretical studies. Density functional theory (DFT) with the B3LYP hybrid functional was used for obtaining radezolid spectra. Full identification was carried out by COSY, 1H {13C} HSQC and 1H {13C} HMBC experiments. The experimental NMR chemical shifts and spin-spin coupling constants were compared with theoretical calculations using the DFT method and B3LYP functional employing the 6-311 ++G(d,p) basis set and the solvent polarizable continuum model (PCM). The experimental ECD spectra of synthesized radezolid were compared with experimental spectra of the reference standard of radezolid. Theoretical calculations enabled us to conduct HOMO and LUMO analysis and molecular electrostatic potential maps were used to determine the active sites of microbiologically active form of radezolid enantiomer. The relationship between results of ab initio calculations and knowledge about chemical-biological properties of S-radezolid and other oxazolidinone derivatives are also discussed.

  17. Near-infrared-excited confocal Raman spectroscopy advances in vivo diagnosis of cervical precancer

    Science.gov (United States)

    Duraipandian, Shiyamala; Zheng, Wei; Ng, Joseph; Low, Jeffrey J. H.; Ilancheran, Arunachalam; Huang, Zhiwei

    2013-06-01

    Raman spectroscopy is a unique optical technique that can probe the changes of vibrational modes of biomolecules associated with tissue premalignant transformation. This study evaluates the clinical utility of confocal Raman spectroscopy over near-infrared (NIR) autofluorescence (AF) spectroscopy and composite NIR AF/Raman spectroscopy for improving early diagnosis of cervical precancer in vivo at colposcopy. A rapid NIR Raman system coupled with a ball-lens fiber-optic confocal Raman probe was utilized for in vivo NIR AF/Raman spectral measurements of the cervix. A total of 1240 in vivo Raman spectra [normal (n=993), dysplasia (n=247)] were acquired from 84 cervical patients. Principal components analysis (PCA) and linear discriminant analysis (LDA) together with a leave-one-patient-out, cross-validation method were used to extract the diagnostic information associated with distinctive spectroscopic modalities. The diagnostic ability of confocal Raman spectroscopy was evaluated using the PCA-LDA model developed from the significant principal components (PCs) [i.e., PC4, 0.0023% PC5, 0.00095% PC8, 0.00022%, (p<0.05)], representing the primary tissue Raman features (e.g., 854, 937, 1095, 1253, 1311, 1445, and 1654 cm-1). Confocal Raman spectroscopy coupled with PCA-LDA modeling yielded the diagnostic accuracy of 84.1% (a sensitivity of 81.0% and a specificity of 87.1%) for in vivo discrimination of dysplastic cervix. The receiver operating characteristic curves further confirmed that the best classification was achieved using confocal Raman spectroscopy compared to the composite NIR AF/Raman spectroscopy or NIR AF spectroscopy alone. This study illustrates that confocal Raman spectroscopy has great potential to improve early diagnosis of cervical precancer in vivo during clinical colposcopy.

  18. Characterization of pollen by vibrational spectroscopy.

    Science.gov (United States)

    Zimmermann, Boris

    2010-12-01

    Classification, discrimination, and biochemical assignment of vibrational spectra of pollen samples belonging to 43 different species of the order Pinales has been made using three different vibrational techniques. The comparative study of transmission (KBr pellet) and attenuated total reflection (ATR) Fourier transform infrared (FT-IR) and FT-Raman spectroscopies was based on substantial variability of pollen grain size, shape, and relative biochemical composition. Depending on the penetration depth of the probe light, vibrational techniques acquire predominant information either on pollen grain walls (FT-Raman and ATR-FT-IR) or intracellular material (transmission FT-IR). Compared with the other two methods, transmission FT-IR obtains more comprehensive information and as a result achieves superior spectral identification and discrimination of pollen. The results strongly indicate that biochemical similarities of pollen grains belonging to the same plant genus or family lead to similar features in corresponding vibrational spectra. The exploitation of that property in aerobiological monitoring was demonstrated by simple and rapid pollen identification based on relatively small spectral libraries, with the same (or better) taxonomic resolution as that provided by optical microscopy. Therefore, the clear correlation between vibrational spectra and pollen grain morphology, biochemistry, and taxonomy is obtained, while successful pollen identification illustrates the practicability of such an approach in environmental studies.

  19. Raman amplification in an optically high-powered data link dedicated to a 10 km long extension for submarine cabled observatories

    Science.gov (United States)

    Audo, F.; Perhirin, S.; Quintard, V.; Guegan, M.; Perennou, A.; Auffret, Y.

    2013-05-01

    We describe a quasi-all-optical extension dedicated to simplifying the deployment of submarine cabled observatories. Based on power-over-fiber technologies, high power supply and data are both transmitted in one optical fiber of a few kilometers in length. We study the Raman amplification on the down- and up-stream data in the static regime with the high optical power varying from 100 mW to 4 W over a 10 km long single-mode optical fiber. We focus on the data optical budget and signal to noise ratio dependence with respect to the high optical power value and the data optical wavelength. We also present the transmission quality in the dynamic regime of this quasi-all-optical extension.

  20. Fukui Function Analysis and Optical, Electronic, and Vibrational Properties of Tetrahydrofuran and Its Derivatives: A Complete Quantum Chemical Study

    Directory of Open Access Journals (Sweden)

    Apoorva Dwivedi

    2015-01-01

    Full Text Available The spectroscopic, optical, and electronic properties of tetrahydrofuran and its derivatives were investigated by FTIR techniques. We have done a comparative study of tetrahydrofuran and its derivatives with B3LYP with 6-311 G (d, p as the basis set. Here we have done a relative study of their structures, vibrational assignments, and thermal, electronic, and optical properties of ttetrahydrofuran and its derivatives. We have plotted frontier orbital HOMO-LUMO surfaces and molecular electrostatic potential surfaces to explain the reactive nature of tetrahydrofuran and its derivatives.

  1. Self-Raman Nd:YVO4 Laser and Electro-Optic Technology for Space-Based Sodium Lidar Instrument

    Science.gov (United States)

    Krainak, Michael A.; Yu, Anthony W.; Janches, Diego; Jones, Sarah L.; Blagojevic, Branimir; Chen, Jeffrey

    2014-01-01

    We are developing a laser and electro-optic technology to remotely measure Sodium (Na) by adapting existing lidar technology with space flight heritage. The developed instrumentation will serve as the core for the planning of an Heliophysics mission targeted to study the composition and dynamics of Earth's mesosphere based on a spaceborne lidar that will measure the mesospheric Na layer. We present performance results from our diode-pumped tunable Q-switched self-Raman c-cut Nd:YVO4 laser with intra-cavity frequency doubling that produces multi-watt 589 nm wavelength output. The c-cut Nd:YVO4 laser has a fundamental wavelength that is tunable from 1063-1067 nanometers. A CW (Continuous Wave) External Cavity diode laser is used as a injection seeder to provide single-frequency grating tunable output around 1066 nanometers. The injection-seeded self-Raman shifted Nd:VO4 laser is tuned across the sodium vapor D2 line at 589 nanometers. We will review technologies that provide strong leverage for the sodium lidar laser system with strong heritage from the Ice Cloud and Land Elevation Satellite-2 (ICESat-2) Advanced Topographic Laser Altimeter System (ATLAS). These include a space-qualified frequency-doubled 9 watts-at-532-nanometer wavelength Nd:YVO4 laser, a tandem interference filter temperature-stabilized fused-silica-etalon receiver and high-bandwidth photon-counting detectors.

  2. Intracavity-Pumped Raman Laser Action in a Mid-IR, Continuous-Wave (cw) MgO:PPLN Optical Parametric Oscillator

    Energy Technology Data Exchange (ETDEWEB)

    Okishev, A.V.; Zuegel, J.D.

    2006-12-13

    Intracavity-pumped Raman laser action in a fiber-laser–pumped, single-resonant, continuous-wave (cw) MgO:PPLN optical parametric oscillator with a high-Q linear resonator has been observed for the first time to our knowledge. Experimental results of this phenomenon investigation will be discussed.

  3. Intracavity-pumped Raman laser action in a mid IR, continuous-wave (cw) MgO:PPLN optical parametric oscillator.

    Science.gov (United States)

    Okishev, Andrey V; Zuegel, Jonathan D

    2006-12-11

    Intracavity-pumped Raman laser action in a fiber-laser-pumped, single-resonant, continuous-wave (cw) MgO:PPLN optical parametric oscillator with a high-Q linear resonator has been observed for the first time to our knowledge. Experimental results of this phenomenon investigation will be discussed.

  4. Noncritical phase-matched lithium triborate optical parametric oscillator for high resolution coherent anti-stokes Raman scattering spectroscopy and microscopy

    NARCIS (Netherlands)

    Jurna, M.; Korterik, Jeroen P.; Offerhaus, Herman L.; Otto, Cornelis

    2006-01-01

    An efficient, widely tunable, narrow-bandwidth, green-pumped, noncritical phase-matched lithium triborate based optical parametric oscillator (OPO) is applied to coherent anti-Stokes Raman scattering (CARS) spectroscopy and microscopy. The tunable signal beam (740–930 nm) of the OPO is combined with

  5. Study of the optical properties of aerosols in the Sao Paulo State by LIDAR Raman technique; Estudo das propriedades opticas dos aerossois no Estado de Sao Paulo com a tecnica de LIDAR Raman

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Renata Facundes da

    2010-07-01

    The investigation reported in this dissertation has been divided in two parts. The first part was made to carry out an independent calibration of a Raman LIDAR system for water vapor in the CLA installed using a methodology that was developed at Howard University, based on a careful analysis of the efficiency of the optical system components aimed at determining the efficiency and displaying the spectral response of the system. After this study, which led to a better understanding of the eld of instrumental system, the second part, presents a preliminary study of the optical properties of aerosols in the troposphere by evaluating parameters such as, for example, the vertical profiles of aerosol extinction, SR and LR, using a mobile Raman LIDAR system developed by Raymetrics LIDAR Systems, during campaigns conducted in some research institutes in the State of Sao Paulo. (author)

  6. Imaging with Raman spectroscopy.

    Science.gov (United States)

    Zhang, Yin; Hong, Hao; Cai, Weibo

    2010-09-01

    Raman spectroscopy, based on the inelastic scattering of a photon, has been widely used as an analytical tool in many research fields. Recently, Raman spectroscopy has also been explored for biomedical applications (e.g. cancer diagnosis) because it can provide detailed information on the chemical composition of cells and tissues. For imaging applications, several variations of Raman spectroscopy have been developed to enhance its sensitivity. This review article will provide a brief summary of Raman spectroscopy-based imaging, which includes the use of coherent anti-Stokes Raman spectroscopy (CARS, primarily used for imaging the C-H bond in lipids), surface-enhanced Raman spectroscopy (SERS, for which a variety of nanoparticles can be used as contrast agents), and single-walled carbon nanotubes (SWNTs, with its intrinsic Raman signal). The superb multiplexing capability of SERS-based Raman imaging can be extremely powerful in future research where different agents can be attached to different Raman tags to enable the interrogation of multiple biological events simultaneously in living subjects. The primary limitations of Raman imaging in humans are those also faced by other optical techniques, in particular limited tissue penetration. Over the last several years, Raman spectroscopy imaging has advanced significantly and many critical proof-of-principle experiments have been successfully carried out. It is expected that imaging with Raman Spectroscopy will continue to be a dynamic research field over the next decade.

  7. Structural, electronic, optical and vibrational properties of nanoscale carbons and nanowires: a colloquial review.

    Science.gov (United States)

    Cole, Milton W; Crespi, Vincent H; Dresselhaus, Mildred S; Dresselhaus, Gene; Fischer, John E; Gutierrez, Humberto R; Kojima, K; Mahan, Gerald D; Rao, Apparao M; Sofo, Jorge O; Tachibana, M; Wako, K; Xiong, Qihua

    2010-08-25

    This review addresses the field of nanoscience as viewed through the lens of the scientific career of Peter Eklund, thus with a special focus on nanocarbons and nanowires. Peter brought to his research an intense focus, imagination, tenacity, breadth and ingenuity rarely seen in modern science. His goal was to capture the essential physics of natural phenomena. This attitude also guides our writing: we focus on basic principles, without sacrificing accuracy, while hoping to convey an enthusiasm for the science commensurate with Peter's. The term 'colloquial review' is intended to capture this style of presentation. The diverse phenomena of condensed matter physics involve electrons, phonons and the structures within which excitations reside. The 'nano' regime presents particularly interesting and challenging science. Finite size effects play a key role, exemplified by the discrete electronic and phonon spectra of C(60) and other fullerenes. The beauty of such molecules (as well as nanotubes and graphene) is reflected by the theoretical principles that govern their behavior. As to the challenge, 'nano' requires special care in materials preparation and treatment, since the surface-to-volume ratio is so high; they also often present difficulties of acquiring an experimental signal, since the samples can be quite small. All of the atoms participate in the various phenomena, without any genuinely 'bulk' properties. Peter was a master of overcoming such challenges. The primary activity of Eklund's research was to measure and understand the vibrations of atoms in carbon materials. Raman spectroscopy was very dear to Peter. He published several papers on the theory of phonons (Eklund et al 1995a Carbon 33 959-72, Eklund et al 1995b Thin Solid Films 257 211-32, Eklund et al 1992 J. Phys. Chem. Solids 53 1391-413, Dresselhaus and Eklund 2000 Adv. Phys. 49 705-814) and many more papers on measuring phonons (Pimenta et al 1998b Phys. Rev. B 58 16016-9, Rao et al 1997a Nature

  8. Structural, electronic, optical and vibrational properties of nanoscale carbons and nanowires: a colloquial review

    Science.gov (United States)

    Cole, Milton W.; Crespi, Vincent H.; Dresselhaus, Mildred S.; Dresselhaus, Gene; Fischer, John E.; Gutierrez, Humberto R.; Kojima, K.; Mahan, Gerald D.; Rao, Apparao M.; Sofo, Jorge O.; Tachibana, M.; Wako, K.; Xiong, Qihua

    2010-08-01

    This review addresses the field of nanoscience as viewed through the lens of the scientific career of Peter Eklund, thus with a special focus on nanocarbons and nanowires. Peter brought to his research an intense focus, imagination, tenacity, breadth and ingenuity rarely seen in modern science. His goal was to capture the essential physics of natural phenomena. This attitude also guides our writing: we focus on basic principles, without sacrificing accuracy, while hoping to convey an enthusiasm for the science commensurate with Peter's. The term 'colloquial review' is intended to capture this style of presentation. The diverse phenomena of condensed matter physics involve electrons, phonons and the structures within which excitations reside. The 'nano' regime presents particularly interesting and challenging science. Finite size effects play a key role, exemplified by the discrete electronic and phonon spectra of C60 and other fullerenes. The beauty of such molecules (as well as nanotubes and graphene) is reflected by the theoretical principles that govern their behavior. As to the challenge, 'nano' requires special care in materials preparation and treatment, since the surface-to-volume ratio is so high; they also often present difficulties of acquiring an experimental signal, since the samples can be quite small. All of the atoms participate in the various phenomena, without any genuinely 'bulk' properties. Peter was a master of overcoming such challenges. The primary activity of Eklund's research was to measure and understand the vibrations of atoms in carbon materials. Raman spectroscopy was very dear to Peter. He published several papers on the theory of phonons (Eklund et al 1995a Carbon 33 959-72, Eklund et al 1995b Thin Solid Films 257 211-32, Eklund et al 1992 J. Phys. Chem. Solids 53 1391-413, Dresselhaus and Eklund 2000 Adv. Phys. 49 705-814) and many more papers on measuring phonons (Pimenta et al 1998b Phys. Rev. B 58 16016-9, Rao et al 1997a Nature

  9. Fiber-based optical parametric oscillator for high resolution coherent anti-Stokes Raman scattering (CARS) microscopy.

    Science.gov (United States)

    Gottschall, Thomas; Meyer, Tobias; Baumgartl, Martin; Dietzek, Benjamin; Popp, Jürgen; Limpert, Jens; Tünnermann, Andreas

    2014-09-08

    Imaging based on coherent anti-Stokes Raman scattering (CARS) relies on the interaction of high peak-power, synchronized picosecond pulses with narrow bandwidths and a well-defined frequency difference. Recently a new type of fiber-based CARS laser source based on four-wave-mixing (FWM) has been developed. In order to enhance its spectral resolution and efficiency, a FWM based fiber optical parametric oscillator (FOPO) is proposed in this work. The source delivers 180 mW with 5.6 kW peak power for the CARS pump and 130 mW with 2.9 kW peak power for the Stokes signal. CARS resonances around 2850 and 2930 cm(-1) can be resolved with a resolution of 1 cm(-1) enabling high-contrast, spectrally resolved CARS imaging of biological tissue.

  10. Micro- and nanodomain imaging in uniaxial ferroelectrics: Joint application of optical, confocal Raman, and piezoelectric force microscopy

    Science.gov (United States)

    Ya. Shur, V.; Zelenovskiy, P. S.

    2014-08-01

    The application of the most effective methods of the domain visualization in model uniaxial ferroelectrics of lithium niobate (LN) and lithium tantalate (LT) family, and relaxor strontium-barium niobate (SBN) have been reviewed in this paper. We have demonstrated the synergetic effect of joint usage of optical, confocal Raman, and piezoelectric force microscopies which provide extracting of the unique information about formation of the micro- and nanodomain structures. The methods have been applied for investigation of various types of domain structures with increasing complexity: (1) periodical domain structure in LN and LT, (2) nanodomain structures in LN, LT, and SBN, (3) nanodomain structures in LN with modified surface layer, (4) dendrite domain structure in LN. The self-assembled appearance of quasi-regular nanodomain structures in highly non-equilibrium switching conditions has been considered.

  11. Investigations of an Accelerometer-based Disturbance Feedforward Control for Vibration Suppression in Adaptive Optics of Large Telescopes

    Science.gov (United States)

    Glück, Martin; Pott, Jörg-Uwe; Sawodny, Oliver

    2017-06-01

    Adaptive Optics (AO) systems in large telescopes do not only correct atmospheric phase disturbances, but they also telescope structure vibrations induced by wind or telescope motions. Often the additional wavefront error due to mirror vibrations can dominate the disturbance power and contribute significantly to the total tip-tilt Zernike mode error budget. Presently, these vibrations are compensated for by common feedback control laws. However, when observing faint natural guide stars (NGS) at reduced control bandwidth, high-frequency vibrations (>5 Hz) cannot be fully compensated for by feedback control. In this paper, we present an additional accelerometer-based disturbance feedforward control (DFF), which is independent of the NGS wavefront sensor exposure time to enlarge the “effective servo bandwidth”. The DFF is studied in a realistic AO end-to-end simulation and compared with commonly used suppression concepts. For the observation in the faint (>13 mag) NGS regime, we obtain a Strehl ratio by a factor of two to four larger in comparison with a classical feedback control. The simulation realism is verified with real measurement data from the Large Binocular Telescope (LBT); the application for on-sky testing at the LBT and an implementation at the E-ELT in the MICADO instrument is discussed.

  12. Flexible Fiber-Optic High-Speed Imaging of Vocal Fold Vibration: A Preliminary Report.

    Science.gov (United States)

    Woo, Peak; Baxter, Peter

    2017-03-01

    High-speed video (HSV) imaging of vocal fold vibration has been possible only through the rigid endoscope. This study reports that a fiberscope-based high-speed imaging system may allow HSV imaging of naturalistic voicing. Twenty-two subjects were recorded using a commercially available black and white high-speed camera (Photron Motion Tools, 256 × 120 pixel, 2000 frames per second, 8 second acquisition time). The camera gain is set to +6 db. The camera is coupled to a standard fiber-optic laryngoscope (Olympus ENF P-4) with a 300-W Xenon light. Image acquisition was done by asking the subject to perform repeated phonation at modal phonation. Video images were processed using commercial video editing and video noise reduction software (After effects, Magix, and Neat Video 4.1). After video processing, the video images were analyzed using digital kymography (DKG). The HSV black and white video acquired by the camera is gray and lacks contrast. By adjustment of image contrast, brightness, and gamma and using noise reduction software, the flexible laryngoscopy image can be converted to video image files suitable for DKG and waveform analysis. The increased noise still makes edge tracking for objective analysis difficult, but subjective analysis of DKG plot is possible. This is the first report of HSV acquisition in an unsedated patient using a fiberscope. Image enhancement and noise reduction can enhance the HSV to allow extraction of the digital kymogram. Further image enhancement may allow for objective analysis of the vibratory waveform. Copyright © 2017 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

  13. Anharmonic vibrational and electronic spectral study of 2-amino-4-hydroxy-6-methylpyrimidine: A combined experimental (FTIR, FT-Raman, UV-Vis) and theoretical (DFT, MP2) approach

    Science.gov (United States)

    Faizan, Mohd; Bhat, Sheeraz Ahmad; Alam, Mohammad Jane; Afroz, Ziya; Ahmad, Shabbir

    2017-11-01

    A combined experimental and theoretical study of the structure, vibrational spectra and electronic spectra of 2-amino-4-hydroxy-6-methylpyrimidine in the ground electronic state are reported. Anharmonic frequencies for the most stable conformer have been simulated using GVPT2, VSCF and PT2-VSCF methods with potential energy surface calculated using MP2 and DFT level of theory with 6-311G(d,p) basis set. The vibrational spectra (FTIR and FT-Raman) are interpreted in terms of fundamental, combination and overtone bands. It is found that the experimental and the VPT2 computed frequencies are in well agreement. The experimental and the calculated UV-Vis spectrum in gas and ethanol solvent are found comparable. Furthermore, HOMO-LUMO analysis, NLO, MEP, and natural charges of the molecule are also reported.

  14. Vibrational spectroscopy (FT-IR and Laser-Raman) investigation, and computational (M06-2X and B3LYP) analysis on the structure of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone

    Science.gov (United States)

    Sert, Yusuf; Miroslaw, Barbara; Çırak, Çağrı; Doğan, Hatice; Szulczyk, Daniel; Struga, Marta

    2014-07-01

    In this study, the experimental and theoretical vibrational spectral analysis of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone have been carried out. The experimental FT-IR (4000-400 cm-1) and Laser-Raman spectra (4000-100 cm-1) have been recorded for the solid state samples. The theoretical vibrational frequencies and the optimized geometric parameters (bond lengths and angles) have been calculated for gas phase using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr) and M06-2X (the highly parametrized, empirical exchange correlation function) quantum chemical methods with 6-311++G(d,p) basis set. The diversity in molecular geometry of fluorophenyl substituted thiosemicarbazones has been discussed based on the X-ray crystal structure reports and theoretical calculation results from the literature. The assignments of the vibrational frequencies have been done on the basis of potential energy distribution (PED) analysis by using VEDA4 software. A good correlation was found between the computed and experimental geometric and vibrational data. In addition, the highest occupied (HOMO) and lowest unoccupied (LUMO) molecular orbital energy levels and other related molecular energy values of the compound have been determined using the same level of theoretical calculations.

  15. Impacts of the self-Raman effect and third-order dispersion on pulse-squeezed state generation using optical fibers

    Science.gov (United States)

    Yu, Shinn-Sheng; Lai, Yinchieh

    1995-12-01

    Based on a newly developed general quantum theory of nonlinear optical pulse propagation, the influences of the self-Raman effect and third-order dispersion on the achievable squeezing ratio in squeezing experiments with optical fibers at both the 1.3- and 1.55- mu m wavelengths are studied. In the presence of these effects, squeezing still survives, but the achievable squeezing will reach a limit as the propagation distance increases. Temperature dependence of the squeezing ratio is also examined. Copyright (c) 1995 Optical Society of America

  16. Vibrational relaxation beyond the linear damping limit in two-dimensional optical spectra of molecular aggregates

    Science.gov (United States)

    Perlík, Václav; Šanda, František

    2017-08-01

    We present a computational model for the spectra of molecular aggregates with signatures of vibronic progression. Vibronic dynamics is implemented by coupling the dynamics of Frenkel excitons with underdamped vibrations. Vibrational dynamics includes linear damping resulting in the exponential decay and quadratic damping inducing subexponential or power law relaxation and increasing vibrational decoherence as demonstrated on lineshapes of the absorption spectrum. Simulations of the third-order coherent response account for bath reorganization during excitonic transport, which allows us to study the line-shape evolution of cross peaks of 2D spectra.

  17. Realization of all-optical switch and diode via Raman gain process using a Kerr field

    Science.gov (United States)

    Abbas, Muqaddar; Qamar, Sajid; Qamar, Shahid

    2016-08-01

    The idea of optical photonic crystal, which is generated using two counter-propagating fields, is revisited to study gain-assisted all-optical switch and diode using Kerr field. Two counter-propagating fields with relative detuning Δ ν generate standing-wave field pattern which interacts with a four-level atomic system. The standing-wave field pattern acts like a static photonic crystal for Δ ν =0 , however, it behaves as a moving photonic crystal for Δ ν \

  18. Chemometrics-enhanced fiber optic Raman detection, discrimination and quantification of chemical agents simulants concealed in commercial bottles

    Directory of Open Access Journals (Sweden)

    Nataly J. Galan-Freyle

    2014-11-01

    Full Text Available Chemometric techniques such as partial least squares combined with discriminant analysis (PLS–DA and artificial neural networks (ANN analysis were used to enhance the detection, discrimination and quantification of chemical warfare agents simulants. Triethyl phosphate (TEP mixed with commercial products in their original containers was analyzed through the container walls using fiber-optic-coupled Raman spectroscopy. Experiments were performed by employing a custom built optical fiber probe operating at 488 nm. Detection was accomplished using mixtures of the contents of the commercial bottles and water. The bottle materials included green plastic, green glass, clear plastic, clear glass, amber glass and white plastic. To account for the low scattering-peak intensities of some bottle materials, integration times were increased. Short integration times provided no information for amber glass and white plastic. The limits of detection were on the order of 1–5%, depending on bottle materials and contents. Good discrimination was achieved with PLS–DA when models were generated from a dataset originating from the same type of bottle material. ANN performed better when large sets of data were used, discriminating TEP from bottle materials and contents, as well as accurately classifying over 90% of the data.

  19. Non-invasive diagnostic system and its opto-mechanical probe for combining confocal Raman spectroscopy and optical coherence tomography.

    Science.gov (United States)

    Klemes, Jan; Kotzianova, Adela; Pokorny, Marek; Mojzes, Peter; Novak, Jindrich; Sukova, Lada; Demuth, Jaroslav; Vesely, Jaroslav; Sasek, Ladislav; Velebny, Vladimir

    2017-11-01

    Non-invasive optical diagnostic methods allow important information about studied systems to be obtained in a non-destructive way. Complete diagnosis requires information about the chemical composition as well as the morphological structure of a sample. We report on the development of an opto-mechanical probe that combines Raman spectroscopy (RS) and optical coherence tomography (OCT), two methods that provide all the crucial information needed for a non-invasive diagnosis. The aim of this paper is to introduce the technical design, construction and optimization of a dual opto-mechanical probe combining two in-house developed devices for confocal RS and OCT. The unique benefit of the probe is a gradual acquisition of OCT and RS data, which allows to use the acquired OCT images to pinpoint locations of interest for RS measurements. The parameters and the correct functioning of the probe were verified by RS scanning of various samples (silicon wafer and ex vivo tissue) based on their OCT images - lateral as well as depth scanning was performed. Both the OCT and RS systems were developed, optimized and tested with the ultimate aim of verifying the functionality of the probe. Picture: Schematic illustration and visualization of the developed RS-OCT probe. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Pre-resonance enhancement of exceptional intensity in Aggregation-Induced Raman Optical Activity (AIROA) spectra of lutein derivatives

    Science.gov (United States)

    Zajac, G.; Lasota, J.; Dudek, M.; Kaczor, A.; Baranska, M.

    2017-02-01

    Recently reported new phenomenon of Aggregation-Induced Raman Optical Activity is demonstrated here for the first time in the pre-resonance conditions for lutein diacetate and 3‧-epi-lutein supramolecular self-assembles. We demonstrate that minor alterations in the lutein structure (e.g. acetylation of hydroxyl groups or different configuration at one of the chiral center) can lead to definitely different spectral profiles and optical properties due to formation of aggregates of different structure and type. Lutein forms only H-aggregates, lutein diacetate only J-aggregates, while 3‧-epi-lutein can occur in both forms simultaneously. Variety of aggregates' structures is so large that not only the type of aggregation is different, but also their chirality. It is remarkable that even in the pre-resonance conditions, aggregation of lutein derivatives can lead to the intense ROA signal, and moreover, 3‧-epi-lutein demonstrated the highest resonance ROA CID ratio that has ever been reported.

  1. Forest Fire Smoke Layers Observed in the Free Troposphere over Portugal with a Multiwavelength Raman Lidar: Optical and Microphysical Properties

    Directory of Open Access Journals (Sweden)

    Sérgio Nepomuceno Pereira

    2014-01-01

    Full Text Available Vertically resolved optical and microphysical properties of biomass burning aerosols, measured in 2011 with a multiwavelength Raman lidar, are presented. The transportation time, within 1-2 days (or less, pointed towards the presence of relatively fresh smoke particles over the site. Some strong layers aloft were observed with particle backscatter and extinction coefficients (at 355 nm greater than 5 Mm−1 sr−1 and close to 300 Mm−1, respectively. The particle intensive optical properties showed features different from the ones reported for aged smoke, but rather consistent with fresh smoke. The Ångström exponents were generally high, mainly above 1.4, indicating a dominating accumulation mode. Weak depolarization values, as shown by the small depolarization ratio of 5% or lower, were measured. Furthermore, the lidar ratio presented no clear wavelength dependency. The inversion of the lidar signals provided a set of microphysical properties including particle effective radius below 0.2 μm, which is less than values previously observed for aged smoke particles. Real and imaginary parts of refractive index of about 1.5-1.6 and 0.02i, respectively, were derived. The single scattering albedo was in the range between 0.85 and 0.93; these last two quantities indicate the nonnegligible absorbing characteristics of the observed particles.

  2. Super-multiplex vibrational imaging

    Science.gov (United States)

    Wei, Lu; Chen, Zhixing; Shi, Lixue; Long, Rong; Anzalone, Andrew V.; Zhang, Luyuan; Hu, Fanghao; Yuste, Rafael; Cornish, Virginia W.; Min, Wei

    2017-04-01

    The ability to visualize directly a large number of distinct molecular species inside cells is increasingly essential for understanding complex systems and processes. Even though existing methods have successfully been used to explore structure-function relationships in nervous systems, to profile RNA in situ, to reveal the heterogeneity of tumour microenvironments and to study dynamic macromolecular assembly, it remains challenging to image many species with high selectivity and sensitivity under biological conditions. For instance, fluorescence microscopy faces a ‘colour barrier’, owing to the intrinsically broad (about 1,500 inverse centimetres) and featureless nature of fluorescence spectra that limits the number of resolvable colours to two to five (or seven to nine if using complicated instrumentation and analysis). Spontaneous Raman microscopy probes vibrational transitions with much narrower resonances (peak width of about 10 inverse centimetres) and so does not suffer from this problem, but weak signals make many bio-imaging applications impossible. Although surface-enhanced Raman scattering offers high sensitivity and multiplicity, it cannot be readily used to image specific molecular targets quantitatively inside live cells. Here we use stimulated Raman scattering under electronic pre-resonance conditions to image target molecules inside living cells with very high vibrational selectivity and sensitivity (down to 250 nanomolar with a time constant of 1 millisecond). We create a palette of triple-bond-conjugated near-infrared dyes that each displays a single peak in the cell-silent Raman spectral window; when combined with available fluorescent probes, this palette provides 24 resolvable colours, with the potential for further expansion. Proof-of-principle experiments on neuronal co-cultures and brain tissues reveal cell-type-dependent heterogeneities in DNA and protein metabolism under physiological and pathological conditions, underscoring the

  3. Vibrational spectroscopy at high external pressures the diamond anvil cell

    CERN Document Server

    Ferraro, John R

    1984-01-01

    Vibrational Spectroscopy at High External Pressures: The Diamond Anvil Cell presents the effects of high pressure on the vibrational properties of materials as accomplished in a diamond anvil cell (DAC). The DAC serves the dual purpose of generating the pressures and being transparent to infrared radiation, allowing the observation of changes caused by pressure. The optical probes highlighted will deal principally with infrared and Raman scattering, although some observations in the visible region will also be presented. The book begins with a discussion of the effects of pressure and pres

  4. Electronic Speckle Pattern Shearing Interferometry using Photopolymer Diffractive Optical Elements for Vibration Measurements

    OpenAIRE

    Mihaylova, Emilia; Naydenova, Izabela; Martin, Suzanne; Toal, Vincent

    2004-01-01

    Electronic speckle pattern shearing interferometry (ESPSI) is superior to Electronic speckle pattern interferometry (ESPI) when strain distribution, arising from object deformation or vibration, need to be measured. This is because shearography provides data directly related to the spatial derivatives of the displacement. Further development of ESPSI systems could be beneficial for wider application to the measurement of mechanical characteristics of vibrating objects. Two electronic speckle ...

  5. Optical image hiding based on chaotic vibration of deformable moiré grating

    Science.gov (United States)

    Lu, Guangqing; Saunoriene, Loreta; Aleksiene, Sandra; Ragulskis, Minvydas

    2018-03-01

    Image hiding technique based on chaotic vibration of deformable moiré grating is presented in this paper. The embedded secret digital image is leaked in a form of a pattern of time-averaged moiré fringes when the deformable cover grating vibrates according to a chaotic law of motion with a predefined set of parameters. Computational experiments are used to demonstrate the features and the applicability of the proposed scheme.

  6. Long-range distributed temperature and strain optical fibre sensor based on the coherent detection of spontaneous Brillouin scattering with in-line Raman amplification

    Science.gov (United States)

    Alahbabi, Mohamed N.; Tat Cho, Yuh; Newson, Trevor P.

    2006-05-01

    We report an extended range distributed temperature and strain optical fibre sensor based on the coherent detection of spontaneous Brillouin scattering combined with Raman amplification. The Raman amplification was achieved within the sensing fibre using either co- or counter-propagating Raman pump configuration with respect to the probe pulse and experiments were conducted to investigate the optimum pump and probe power combination. Using Brillouin frequency shift measurements with co-propagating Raman pump configuration, a temperature resolution of 1.7 °C with a 20 m spatial resolution at 100 km was achieved. With the counter-propagating pump configuration, a temperature resolution of 5 °C with a 50 m spatial resolution at 150 km was achieved. Measuring both the power and frequency of the Brillouin signal, a simultaneous temperature and strain measurement was performed over 50 km using co-propagating Raman pump. Temperature and strain resolutions of 3.5 °C and 85 μɛ with 5 m spatial resolution were achieved.

  7. Calibrating single-ended fiber-optic raman spectra distributed temperature sensing data

    NARCIS (Netherlands)

    Hausner, M.B.; Suarez, F.; Glander, K.E.; Van de Giesen, N.C.; Selker, J.S.; Tyler, S.W.

    2011-01-01

    Hydrologic research is a very demanding application of fiber-optic distributed temperature sensing (DTS) in terms of precision, accuracy and calibration. The physics behind the most frequently used DTS instruments are considered as they apply to four calibration methods for single-ended DTS

  8. Combined Raman spectroscopy and optical coherence tomography device for tissue characterization

    NARCIS (Netherlands)

    Patil, Chetan A.; Bosschaart, Nienke; Bosschaart, Nienke; Keller, Matthew D.; van Leeuwen, Ton; Mahadevan-Jansen, Anita

    2008-01-01

    coherence tomography (OCT) along a common optical axis. The device enhances application of both RS and OCT by precisely guiding RS acquisition with OCT images while also compensating for the lack of molecular specificity in OCT with the biochemical specificity of RS. We characterize the system

  9. Absolute measurement of subnanometer scale vibration of cochlear partition of an excised guinea pig cochlea using spectral-domain phase-sensitive optical coherence tomography

    Science.gov (United States)

    Subhash, Hrebesh M.; Choudhury, Niloy; Jacques, Steven L.; Wang, Ruikang K.; Chen, Fangyi; Zha, Dingjun; Nuttall, Alfred L.

    2012-01-01

    Direct measurement of absolute vibration parameters from different locations within the mammalian organ of Corti is crucial for understanding the hearing mechanics such as how sound propagates through the cochlea and how sound stimulates the vibration of various structures of the cochlea, namely, basilar membrane (BM), recticular lamina, outer hair cells and tectorial membrane (TM). In this study we demonstrate the feasibility a modified phase-sensitive spectral domain optical coherence tomography system to provide subnanometer scale vibration information from multiple angles within the imaging beam. The system has the potential to provide depth resolved absolute vibration measurement of tissue microstructures from each of the delay-encoded vibration images with a noise floor of ~0.3nm at 200Hz.

  10. Imaging vibration of the cochlear partition of an excised guinea pig cochlea using phase-sensitive Fourier domain optical coherence tomography

    Science.gov (United States)

    Choudhury, Niloy; Zeng, Yaguang; Fridberger, Anders; Chen, Fangyi; Zha, Dingjun; Nuttall, Alfred L.; Wang, Ruikang K.

    2011-03-01

    Studying the sound stimulated vibrations of various membranes that form the complex structure of the organ of Corti in the cochlea of the inner ear is essential for understanding how the travelling sound wave of the basilar membrane couples its energy to the organ structures. In this paper we report the feasibility of using phase-sensitive Fourier domain optical coherence tomography (FD-OCT) to image the vibration of various micro-structures of the cochlea at the same time. An excised cochlea of a guinea pig was stimulated using sounds at various frequencies and vibration image was obtained. When measuring the apex area, vibration signal from different turns, which have different best response frequencies are obtained in the same image. The method has the potential to measure the response from a much wider region of the cochlea than any other currently used method. The noise floor for vibration image for the system at 200 Hz was ~0.3nm.

  11. Structural, vibrational and optical properties of a new self assembled organic–inorganic nanowire crystal (C{sub 6}H{sub 14}N){sub 2}[BiBr{sub 5}]. A Density Functional Theory approach

    Energy Technology Data Exchange (ETDEWEB)

    Dammak, Hajer, E-mail: hajerdm@gmail.com [Laboratoire de Physique Appliquée (LPA), Université de Sfax, Faculté des Sciences, BP1171, 3000 Sfax (Tunisia); Triki, Smail [UMR CNRS 6521, Chimie, Electrochimie Moléculaires, Chimie Analytique, Université de Bretagne Occidentale, BP 809, 29285 Brest Cedex (France); Mlayah, Adnen [Centre d’Elaboration de Matériaux et d’Etudes Structurales, CNRS-Université Paul Sabatier, 29 Rue Jeanne Marvig, 31055 Cedex 4 (France); Abid, Younes; Feki, Habib [Laboratoire de Physique Appliquée (LPA), Université de Sfax, Faculté des Sciences, BP1171, 3000 Sfax (Tunisia)

    2015-10-15

    Single crystal and thin films of a new organic–inorganic hybrid material (C{sub 6}H{sub 14}N){sub 2}[BiBr{sub 5}] were synthesized by the slow evaporation method at room temperature and characterized by X-ray diffraction, Raman spectroscopy, optical absorption and photoluminescence measurements. The crystal structure was determined in the monoclinic system with P2{sub 1}/c space group. The structure is built up from BiBr{sub 6} octahedra sharing two cis-bromine atoms and forming infinite [BiBr{sub 5}]{sub n} zig-zag chains surrounded by organic cations. Such a one-dimensional (1D) structure may be regarded as quantum wires system in which the [BiBr{sub 5}]{sub n} inorganic chains act as semiconductor wires and the (C{sub 6}H{sub 14}N) organic cations act as insulator barriers. The cohesion of the structure is achieved by an extensive network of N–H…Br hydrogen bonds. The Raman and Infrared spectra where interpreted by analogy with the homologous materials and by calculation of normal mode frequencies using the density functional theory (DFT) method. The optimized geometry and the calculated frequencies are in good agreement with the experimental data. - Highlights: • A new luminescent organic-inorganic material (C{sub 6}H{sub 14}N){sub 2}BiBr{sub 5} was synthesized. • Vibrational properties were studied by Raman and IR spectroscopy. • The UV–vis spectrum shows three absorption peaks at 3.01, 3.73 and at 4.4 eV. • This compound shows a strong blue emission at 2.71 eV.

  12. Near-infrared-excited confocal Raman spectroscopy advances in vivo diagnosis of cervical precancer.

    Science.gov (United States)

    Duraipandian, Shiyamala; Zheng, Wei; Ng, Joseph; Low, Jeffrey J H; Ilancheran, Arunachalam; Huang, Zhiwei

    2013-06-01

    Raman spectroscopy is a unique optical technique that can probe the changes of vibrational modes of biomolecules associated with tissue premalignant transformation. This study evaluates the clinical utility of confocal Raman spectroscopy over near-infrared (NIR) autofluorescence (AF) spectroscopy and composite NIR AF/Raman spectroscopy for improving early diagnosis of cervical precancer in vivo at colposcopy. A rapid NIR Raman system coupled with a ball-lens fiber-optic confocal Raman probe was utilized for in vivo NIR AF/Raman spectral measurements of the cervix. A total of 1240 in vivo Raman spectra [normal (n=993), dysplasia (n=247)] were acquired from 84 cervical patients. Principal components analysis (PCA) and linear discriminant analysis (LDA) together with a leave-one-patient-out, cross-validation method were used to extract the diagnostic information associated with distinctive spectroscopic modalities. The diagnostic ability of confocal Raman spectroscopy was evaluated using the PCA-LDA model developed from the significant principal components (PCs) [i.e., PC4, 0.0023%; PC5, 0.00095%; PC8, 0.00022%, (pspectroscopy coupled with PCA-LDA modeling yielded the diagnostic accuracy of 84.1% (a sensitivity of 81.0% and a specificity of 87.1%) for in vivo discrimination of dysplastic cervix. The receiver operating characteristic curves further confirmed that the best classification was achieved using confocal Raman spectroscopy compared to the composite NIR AF/Raman spectroscopy or NIR AF spectroscopy alone. This study illustrates that confocal Raman spectroscopy has great potential to improve early diagnosis of cervical precancer in vivo during clinical colposcopy.

  13. Cell Imaging by Spontaneous and Amplified Raman Spectroscopies

    Directory of Open Access Journals (Sweden)

    Giulia Rusciano

    2017-01-01

    Full Text Available Raman spectroscopy (RS is a powerful, noninvasive optical technique able to detect vibrational modes of chemical bonds. The high chemical specificity due to its fingerprinting character and the minimal requests for sample preparation have rendered it nowadays very popular in the analysis of biosystems for diagnostic purposes. In this paper, we first discuss the main advantages of spontaneous RS by describing the study of a single protozoan (Acanthamoeba, which plays an important role in a severe ophthalmological disease (Acanthamoeba keratitis. Later on, we point out that the weak signals that originated from Raman scattering do not allow probing optically thin samples, such as cellular membrane. Experimental approaches able to overcome this drawback are based on the use of metallic nanostructures, which lead to a huge amplification of the Raman yields thanks to the excitation of localized surface plasmon resonances. Surface-enhanced Raman scattering (SERS and tip-enhanced Raman scattering (TERS are examples of such innovative techniques, in which metallic nanostructures are assembled on a flat surface or on the tip of a scanning probe microscope, respectively. Herein, we provide a couple of examples (red blood cells and bacterial spores aimed at studying cell membranes with these techniques.

  14. Raman spectroscopic and mass spectrometric investigations of the hydrogen isotopes and isotopically labelled methane

    Energy Technology Data Exchange (ETDEWEB)

    Jewett, J.R., Fluor Daniel Hanford

    1997-02-24

    Suitable analytical methods must be tested and developed for monitoring the individual process steps within the fuel cycle of a fusion reactor and for tritium accountability. The utility of laser-Raman spectroscopy accompanied by mass spectrometry with an Omegatron was investigated using the analysis of all hydrogen isotopes and isotopically labeled methanes as an example. The Omegatron is useful for analyzing all hydrogen isotopes mixed with the stable helium isotopes. The application of this mass spectrometer were demonstrated by analyzing mixtures of deuterated methanes. In addition, it was employed to study the radiochemical Witzbach exchange reaction between tritium and methanes. A laser-Raman spectrometer was designed for analysis of tritium-containing gases and was built from individual components. A tritium-compatible, metal-sealed Raman cuvette having windows with good optical properties and additional means for measuring the stray light was first used successfully in this work. The Raman spectra of the hydrogen isotopes were acquired in the pure rotation mode and in the rotation-vibration mode and were used for on. The deuterated methanes were measured by Raman spectroscopy, the wavenumbers determined were assigned to the corresponding vibrations, and the wavenumbers for the rotational fine-structure were summarized in tables. The fundamental Vibrations of the deuterated methanes produced Witzbach reactions were detected and assigned. The fundamental vibrations of the molecules were obtained with Raman spectroscopy for the first time in this work. The @-Raman spectrometer assembled is well suited for the analysis of tritium- containing gases and is practical in combination with mass spectrometry using an Omegatron, for studying gases used in fusion.

  15. Feature extraction and identification in distributed optical-fiber vibration sensing system for oil pipeline safety monitoring

    Science.gov (United States)

    Wu, Huijuan; Qian, Ya; Zhang, Wei; Tang, Chenghao

    2017-09-01

    High sensitivity of a distributed optical-fiber vibration sensing (DOVS) system based on the phase-sensitivity optical time domain reflectometry (Φ-OTDR) technology also brings in high nuisance alarm rates (NARs) in real applications. In this paper, feature extraction methods of wavelet decomposition (WD) and wavelet packet decomposition (WPD) are comparatively studied for three typical field testing signals, and an artificial neural network (ANN) is built for the event identification. The comparison results prove that the WPD performs a little better than the WD for the DOVS signal analysis and identification in oil pipeline safety monitoring. The identification rate can be improved up to 94.4%, and the nuisance alarm rate can be effectively controlled as low as 5.6% for the identification network with the wavelet packet energy distribution features.

  16. Feature extraction and identification in distributed optical-fiber vibration sensing system for oil pipeline safety monitoring

    Science.gov (United States)

    Wu, Huijuan; Qian, Ya; Zhang, Wei; Tang, Chenghao

    2017-12-01

    High sensitivity of a distributed optical-fiber vibration sensing (DOVS) system based on the phase-sensitivity optical time domain reflectometry (Φ-OTDR) technology also brings in high nuisance alarm rates (NARs) in real applications. In this paper, feature extraction methods of wavelet decomposition (WD) and wavelet packet decomposition (WPD) are comparatively studied for three typical field testing signals, and an artificial neural network (ANN) is built for the event identification. The comparison results prove that the WPD performs a little better than the WD for the DOVS signal analysis and identification in oil pipeline safety monitoring. The identification rate can be improved up to 94.4%, and the nuisance alarm rate can be effectively controlled as low as 5.6% for the identification network with the wavelet packet energy distribution features.

  17. Evaluation of the suitability of ex vivo handled ovarian tissues for optical diagnosis by Raman microspectroscopy.

    Science.gov (United States)

    Krishna, C Murali; Sockalingum, G D; Venteo, L; Bhat, Rani A; Kushtagi, Pralhad; Pluot, M; Manfait, M

    2005-12-05

    A pilot Raman microspectroscopy study of formalin-fixed, paraffin-embedded, and deparaffinized sections from the same ovarian normal and malignant tissues was carried out. This approach was considered in order to evaluate the suitability of these ex vivo tissue handling procedures in discrimination as well as biochemical characterization. The spectra of formalin-fixed normal and malignant tissues exhibited no contamination due to formalin, which is indicated by the absence of strong formalin peaks; spectral features also show significant differences for normal and malignant tissues. The differences between spectral profiles of deparaffinized normal and malignant tissues are subtle and spectra show few residual sharp peaks of paraffin. Complete dominance of paraffin swamping signals from tissues was observed in the spectra of paraffin-embedded tissues. Principal components analysis (PCA), which was employed for discrimination of tissue type, provided good discrimination for formalin-fixed and paraffin-embedded tissue spectra. PCA of deparaffinized tissues resulted in a poor classification with significant overlap among the clusters. Thus, this study indicates that formalin fixation is the most suitable among the three procedures employed in the study. Significant differences between spectral profiles of normal and malignant formalin-fixed tissues can not only be exploited for discrimination but can also provide information on biochemical characteristics of the tissues. Deparaffinized tissues provide poor discrimination and information on tissue biochemistry is lost. Paraffin-embedded tissues may provide good discrimination, but predominance of paraffin in the spectra could jeopardize biochemical characterization. Prospectively, as a result of the better availability of paraffin-embedded tissues and problems associated with frozen sectioning of formalin-fixed tissues, the results of this study using paraffin-embedded tissues are very encouraging.

  18. Eradication of Multi-drug Resistant Bacteria by Ni Doped ZnO Nanorods: Structural, Raman and optical characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Jan, Tariq [Laboratory of Nanoscience and Technology, Department of Physics, International Islamic University Islamabad (Pakistan); Iqbal, Javed, E-mail: javed.saggu@iiu.edu.pk [Laboratory of Nanoscience and Technology, Department of Physics, International Islamic University Islamabad (Pakistan); Ismail, Muhammad; Mansoor, Qaisar [Institute of Biomedical and Genetic Engineering (IBGE), Islamabad (Pakistan); Mahmood, Arshad [Nano Devices Labs, National Institute of Lasers and Optronics (NILOP), Islamabad (Pakistan); Ahmad, Amaar [Laboratory of Nanoscience and Technology, Department of Physics, International Islamic University Islamabad (Pakistan)

    2014-07-01

    In this paper, ZnO nanorods doped with varying amounts of Ni have been prepared by chemical co-precipitation technique. Structural investigations provide the evidence that Ni is successfully doped into ZnO host matrix without having any secondary phases. Scanning electron microscopy (SEM) images reveal the formation of rodlike structure of undoped ZnO with average length and diameter of 1 μm and 80 nm, respectively. Raman spectroscopy results show that the E{sub 1}{sup LO} phonons mode band shifts to the higher values with Ni doping, which is attributed to large amount of crystal defects. Ni doping is also found to greatly influence the optical properties of ZnO nanorods. The influence of Ni doping on antibacterial characteristics of ZnO nanorods have been studied by measuring the growth curves of Escherichia coli (E. coli), Methicillin-resistant Staphylococcus aureus (S. aureus) and Pseudomonas aeruginosa (P. aeruginosa) bacteria in the presence of prepared nanorods. ZnO nanorods antibacterial potency is found to increase remarkably with Ni doping against S. aureus and P. aeruginosa microbials, which might possibly be due to the increase in reactive oxygen species (ROS) generation. Interestingly, it is observed that Ni doped ZnO nanorods completely eradicates these multi-drug resistant bacteria.

  19. FT-Raman, FT-IR, UV spectroscopic, NBO and DFT quantum chemical study on the molecular structure, vibrational and electronic transitions of clopidogrel hydrogen sulfate form 1: A comparison to form 2

    Science.gov (United States)

    Srivastava, Anubha; Mishra, Rashmi; Tandon, Poonam; Bansal, A. K.

    2013-03-01

    Clopidogrel hydrogen sulfate (+)-(S)-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetate sulfate (1:1), is a selective adenosine diphosphate (ADP) receptor antagonist often used in the treatment of coronary artery, peripheral vascular and cerebrovascular diseases. In the present communication, a comparative study of two polymorphic forms (forms 1 and 2) of clopidogrel hydrogen sulfate (CLP) has been reported. There is difference in conformation and intermolecular hydrogen bonding pattern of two forms. These differences are nicely reflected in the vibrational spectra. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands of CLP form 1 are interpreted with the aid of structure optimizations and normal mode analysis based on ab initio HF and DFT method employing 6-311++G(d,p) basis. Polymorphism in CLP have been studied using various characterization tools like FT-Raman, FT-IR spectroscopy and DSC in combination with the quantum chemical calculations. UV-vis spectroscopic studies along with HOMO-LUMO analysis of both polymorphs were performed. The solvent effect calculated by TD-DFT/IEF-PCM/6-31G model results complements with the experimental findings. Stability of the molecule arising from hyper conjugative interactions and charge delocalization has been analyzed using natural bond orbital (NBO) analysis.

  20. Collisional Dynamics, Lasing and Stimulated Raman Scattering in Optically Pumped Cesium and Potassium Vapors

    Science.gov (United States)

    2012-03-22

    system of rate equations with terms describing radiative rates, driving rates (form iΩjρij) and transition rates (form iωijρij) where the Ω are the Rabi ...longer than the cell. The flat high reflector and output coupler ( Lattice Electro Optics, Inc. ROC = 25 cm) form a stable 48 cm cavity. We tested...The potential terms in the Hamiltonian can be written using the Rabi frequency, Ωij = Eijµij h , and the frequency terms can be written as ∆nm = ωnm

  1. Theory of Spatial Coherence in Near-Field Raman Scattering

    Directory of Open Access Journals (Sweden)

    Luiz Gustavo Cançado

    2014-09-01

    Full Text Available A theoretical study describing the coherence properties of near-field Raman scattering in two- and one-dimensional systems is presented. The model is applied to the Raman modes of pristine graphene and graphene edges. Our analysis is based on the tip-enhanced Raman scheme, in which a sharp metal tip located near the sample surface acts as a broadband optical antenna that transfers the information contained in the spatially correlated (but nonpropagating near field to the far field. The dependence of the scattered signal on the tip-sample separation is explored, and the theory predicts that the signal enhancement depends on the particular symmetry of a vibrational mode. The model can be applied to extract the correlation length L_{c} of optical phonons from experimentally recorded near-field Raman measurements. The coherence properties of optical phonons have been broadly explored in the time and frequency domains, and the spatially resolved approach presented here provides a complementary methodology for the study of local material properties at the nanoscale.

  2. Infrared and Raman Study of the Recluse Spider Silk

    Science.gov (United States)

    Wang, S. L.; Wang, Qijue; Xing, Zhen; Schniepp, H. C.; Qazilbash, M. M.

    Spider silk exhibits remarkable mechanical properties, such as high tensile strength and toughness. We want to gain insight into the composition and structure of spider silk to discover the origin of these properties. We are especially interested in the organization of the crystalline beta sheets that are expected to contribute to the high strength of the silk from the recluse spider, Loxosceles laeta. The recluse spider produces a silk that has a unique geometry amongst arachnids. We measure the silk's optical properties, particularly the infrared-active and Raman-active vibrations. Broadband infrared transmission spectra were collected in the spectral range between 600 cm-1 and 4000 cm-1, with light polarized parallel and perpendicular to the long axis of the silk. Raman micro-spectroscopy was performed in the spectral range 500 cm-1 and 4000 cm- 1 with a 514 nm laser. The infrared and Raman vibrational modes are fit with Lorentzian and pseudo-Voigt functions. The vibrational modes are assigned to specific structures and electronic bonds in the silk. This work was supported by NASA/ Virginia Space Grant Consortium.

  3. Advances in chemical physics modern nonlinear optics, pt.1

    CERN Document Server

    Rice, Stuart A

    2009-01-01

    Partial table of contents: Hyper-Rayleigh and Hyper-Raman Rotational and Vibrational Spectroscopy (T. Bancewicz & Z. Ożgo). Polarization Properties of Hyper-Rayleigh and Hyper-Raman Scatterings (M. Kozierowski). Fast Molecular Reorientation in Liquid Crystals Probed by Nonlinear Optics (J. Lalanne, et al.). Nonlinear Propagation of Laser Light of Different Polarizations (G. Rivoire). Nonlinear Magneto-Optics of Magnetically Ordered Crystals (R. Zawodny). Dynamical Questions in Quantum Optics (A. Shumovsky). Quantum Resonance Fluorescence from Mutually Correlated Atoms (Z. Fi

  4. Dynamics of an [Fe4S4(SPh)4]2- cluster explored via IR, Raman, and nuclear resonance vibrational spectroscopy (NRVS)-analysis using 36S substitution, DFT calculations, and empirical force fields.

    Science.gov (United States)

    Xiao, Yuming; Koutmos, Markos; Case, David A; Coucouvanis, Dimitri; Wang, Hongxin; Cramer, Stephen P

    2006-05-14

    We have used four vibrational spectroscopies--FT-IR, FT-Raman, resonance Raman, and 57Fe nuclear resonance vibrational spectroscopy (NRVS)--to study the normal modes of the Fe-S cluster in [(n-Bu)4N]2[Fe4S4(SPh)4]. This [Fe4S4(SR)4]2- complex serves as a model for the clusters in 4Fe ferredoxins and high-potential iron proteins (HiPIPs). The IR spectra exhibited differences above and below the 243 K phase transition. Significant shifts with 36S substitution into the bridging S positions were also observed. The NRVS results were in good agreement with the low temperature data from the conventional spectroscopies. The NRVS spectra were interpreted by normal mode analysis using optimized Urey-Bradley force fields (UBFF) as well as from DFT theory. For the UBFF calculations, the parameters were refined by comparing calculated and observed NRVS frequencies and intensities. The frequency shifts after 36S substitution were used as an additional constraint. A D 2d symmetry Fe4S4S'4 model could explain most of the observed frequencies, but a better match to the observed intensities was obtained when the ligand aromatic rings were included for a D 2d Fe4S4(SPh)4 model. The best results were obtained using the low temperature structure without symmetry constraints. In addition to stretching and bending vibrations, low frequency modes between approximately 50 and 100 cm(-1) were observed. These modes, which have not been seen before, are interpreted as twisting motions with opposing sides of the cube rotating in opposite directions. In contrast with a recent paper on a related Fe4S4 cluster, we find no need to assign a large fraction of the low frequency NRVS intensity to 'rotational lattice modes'. We also reassign the 430 cm(-1) band as primarily an elongation of the thiophenolate ring, with approximately 10% terminal Fe-S stretch character. This study illustrates the benefits of combining NRVS with conventional Raman and IR analysis for characterization of Fe-S centers. DFT

  5. Calibrating Single-Ended Fiber-Optic Raman Spectra Distributed Temperature Sensing Data

    Directory of Open Access Journals (Sweden)

    Nick van de Giesen

    2011-11-01

    Full Text Available Hydrologic research is a very demanding application of fiber-optic distributed temperature sensing (DTS in terms of precision, accuracy and calibration. The physics behind the most frequently used DTS instruments are considered as they apply to four calibration methods for single-ended DTS installations. The new methods presented are more accurate than the instrument-calibrated data, achieving accuracies on the order of tenths of a degree root mean square error (RMSE and mean bias. Effects of localized non-uniformities that violate the assumptions of single-ended calibration data are explored and quantified. Experimental design considerations such as selection of integration times or selection of the length of the reference sections are discussed, and the impacts of these considerations on calibrated temperatures are explored in two case studies.

  6. Development and integration of Raman imaging capabilities to Sandia National Laboratories hyperspectral fluorescence imaging instrument.

    Energy Technology Data Exchange (ETDEWEB)

    Timlin, Jerilyn Ann; Nieman, Linda T.

    2005-11-01

    Raman spectroscopic imaging is a powerful technique for visualizing chemical differences within a variety of samples based on the interaction of a substance's molecular vibrations with laser light. While Raman imaging can provide a unique view of samples such as residual stress within silicon devices, chemical degradation, material aging, and sample heterogeneity, the Raman scattering process is often weak and thus requires very sensitive collection optics and detectors. Many commercial instruments (including ones owned here at Sandia National Laboratories) generate Raman images by raster scanning a point focused laser beam across a sample--a process which can expose a sample to extreme levels of laser light and requires lengthy acquisition times. Our previous research efforts have led to the development of a state-of-the-art two-dimensional hyperspectral imager for fluorescence imaging applications such as microarray scanning. This report details the design, integration, and characterization of a line-scan Raman imaging module added to this efficient hyperspectral fluorescence microscope. The original hyperspectral fluorescence instrument serves as the framework for excitation and sample manipulation for the Raman imaging system, while a more appropriate axial transmissive Raman imaging spectrometer and detector are utilized for collection of the Raman scatter. The result is a unique and flexible dual-modality fluorescence and Raman imaging system capable of high-speed imaging at high spatial and spectral resolutions. Care was taken throughout the design and integration process not to hinder any of the fluorescence imaging capabilities. For example, an operator can switch between the fluorescence and Raman modalities without need for extensive optical realignment. The instrument performance has been characterized and sample data is presented.

  7. Vibrational Relaxation in Neat Crystals of Naphthalene by Picosecond CARS

    NARCIS (Netherlands)

    Hesp, Ben H.; Wiersma, Douwe A.

    1980-01-01

    Picosecond delayed CARS experiments on totally symmetric modes in naphthalene at 1.5 K are reported. The Raman lineshape of the vibrational excitons is lorentzian and vibrational relaxation can be surprisingly slow. The Raman lineshape of the Ag exciton level of the 766 cm-1 vibrational mode reveals

  8. Microelectronics Instrument Products Shock and Vibration Electro-Optics. Section D; Strength Analysis

    Science.gov (United States)

    1994-01-01

    The strength analysis report for FRR shall include only revisions to update the strength analysis reports for the flight design configuration. Since there have been no revisions to the design configuration since the PDR and the CDR this report shall consist of re-submitting the analysis previously performed. In addition the motors have been subjected to Sine vibration, Random vibration, and shock per the SXI specification. Both motor/encoders have passed all three tests. There was no evidence of damage to the motor/encoder and the motor/encoder performed as required by the Acceptance test procedure. No degradation was seen between the before and after performance tests. The testing verified the analysis that there were adequate mf@ty margins with regard to structural integrity. Separate reports are available from the test facility and are apart of the FRR submittal.

  9. Quantum chemical studies on structural, vibrational, nonlinear optical properties and chemical reactivity of indigo carmine dye

    Science.gov (United States)

    El-Mansy, M. A. M.

    2017-08-01

    Structural and vibrational spectroscopic studies were performed on indigo carmine (IC) isomers using FT-IR spectral analysis along with DFT/B3LYP method utilizing Gaussian 09 software. GaussView 5 program has been employed to perform a detailed interpretation of vibrational spectra. Simulation of infrared spectra has led to an excellent overall agreement with the observed spectral patterns. Mulliken population analyses on atomic charges, MEP, HOMO-LUMO, NLO, first order hyperpolarizability and thermodynamic properties have been examined by (DFT/B3LYP) method with the SDD basis set level. Density of state spectra (DOS) were calculated using GaussSum 3 at the same level of theory. Molecular modeling approved that DOS Spectra are the most significant tools for differentiating between two IC isomers so far. Moreover, The IC isomers (cis-isomer) have shown an extended applicability for manufacturing both NLO and photovoltaic devices such as solar cells.

  10. Intercomparison of aerosol optical parameters from WALI and R-MAN510 aerosol Raman lidars in the framework of HyMeX campaign

    Science.gov (United States)

    Boytard, Mai-Lan; Royer, Philippe; Chazette, Patrick; Shang, Xiaoxia; Marnas, Fabien; Totems, Julien; Bizard, Anthony; Bennai, Baya; Sauvage, Laurent

    2013-04-01

    The HyMeX program (Hydrological cycle in Mediterranean eXperiment) aims at improving our understanding of hydrological cycle in the Mediterranen and at a better quantification and forecast of high-impact weather events in numerical weather prediction models. The first Special Observation Period (SOP1) took place in September/October 2012. During this period two aerosol Raman lidars have been deployed at Menorca Island (Spain) : one Water-vapor and Aerosol Raman LIdar (WALI) operated by LSCE/CEA (Laboratoire des Sciences du Climat et de l'Environnement/Commissariat à l'Energie Atomique) and one aerosol Raman and dual-polarization lidar (R-Man510) developed and commercialized by LEOSPHERE company. Both lidars have been continuously running during the campaign and have provided information on aerosol and cloud optical properties under various atmospheric conditions (maritime background aerosols, dust events, cirrus clouds...). We will present here the results of intercomparisons between R-Man510, and WALI aerosol lidar systems and collocated sunphotometer measurements. Limitations and uncertainties on the retrieval of extinction coefficients, depolarization ratio, aerosol optical depths and detection of atmospheric structures (planetary boundary layer height, aerosol/cloud layers) will be discussed according atmospheric conditions. The results will also be compared with theoretical uncertainty assessed with direct/inverse model of lidar profiles.

  11. Raman fiber lasers

    CERN Document Server

    2017-01-01

    This book serves as a comprehensive, up-to-date reference about this cutting-edge laser technology and its many new and interesting developments. Various aspects and trends of Raman fiber lasers are described in detail by experts in their fields. Raman fiber lasers have progressed quickly in the past decade, and have emerged as a versatile laser technology for generating high power light sources covering a spectral range from visible to mid-infrared. The technology is already being applied in the fields of telecommunication, astronomy, cold atom physics, laser spectroscopy, environmental sensing, and laser medicine. This book covers various topics relating to Raman fiber laser research, including power scaling, cladding and diode pumping, cascade Raman shifting, single frequency operation and power amplification, mid-infrared laser generation, specialty optical fibers, and random distributed feedback Raman fiber lasers. The book will appeal to scientists, students, and technicians seeking to understand the re...

  12. Vibrational analysis, electronic structure and nonlinear optical properties of Levofloxacin by density functional theory

    Science.gov (United States)

    Gunasekaran, Sethu; Rajalakshmi, K.; Kumaresan, Subramanian

    2013-08-01

    The Fourier transform (FT-IR) spectrum of Levofloxacin was recorded in the region 4000-400 cm-1 and a complete vibrational assignment of fundamental vibrational modes of the molecule was carried out using density functional method. The observed fundamental modes have been compared with the harmonic vibrational frequencies computed using DFT (B3LYP) method by employing 6-31 G (d, p) basis sets. The most stable geometry of the molecule under investigation has been determined from the potential energy scan. The first-order hyperpolarizability (βo) and other related properties (μ, αo) of Levofloxacin are calculated using density functional theory (DFT) on a finite field approach. UV-vis spectrum of the molecule was recorded and the electronic properties, such as HOMO and LUMO energies were performed by DFT using 6-31 G (d, p) basis sets. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital analysis (NBO). The calculated HOMO and LUMO energies show that, the charge transfer occurs within the molecule. The other molecular properties like molecular electrostatic potential (MESP), Mulliken population analysis and thermodynamic properties of the title molecule have been calculated.

  13. Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.

    Science.gov (United States)

    Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M

    2017-01-04

    1H-Indazole derivatives exhibit a remarkable property since some of them form chiral supramolecular structures starting from achiral monomers. The present work deals with the study of three perfluorinated 1H-indazoles that resolve spontaneously as conglomerates. These conglomerates can contain either a pure enantiomer (one helix) or a mixture of both enantiomers (both helices) with an enantiomeric excess (e.e.) of one of them. The difficulty of the structural analysis of these types of compounds is thus clear. We outline a complete strategy to determine the structures and configurations (M or P helices) of the enantiomers (helices) forming the conglomerates of these perfluorinated 1H-indazoles based on X-ray crystallography, solid state NMR spectroscopy and different solid state vibrational spectroscopies that are either sensitive (VCD) or not (FarIR, IR and Raman) to chirality, together with quantum chemical calculations (DFT).

  14. Sensitivity of Particle Extinction and Backscattering Calculation from Mie-Raman Lidar Measurements to the Choice of Ångström Exponent

    Directory of Open Access Journals (Sweden)

    Suvorina Anastasia

    2016-01-01

    Full Text Available Vibrational Raman scattering from nitrogen is commonly used in Mie-Raman lidars for evaluation of particle backscattering (β and extinction (α coefficients. However, vibrational scattering is characterized by significant frequency shift of the Raman component, so for the calculation of α and β the assumption about the extinction Ångström exponent is needed. Simulation results presented in this study demonstrate that ambiguity in the choice of this exponent can be the significant source of uncertainty in the calculation of backscattering coefficients when optically thick aerosol layers are considered. Examples of lidar measurements and optical data calculated for different values of Ångström exponent are given.

  15. An optically transparent thin-layer electrochemical cell for the study of vibrational circular dichroism of chiral redox-active molecules.

    Science.gov (United States)

    Domingos, Sérgio R; Luyten, Henk; van Anrooij, Fred; Sanders, Hans J; Bakker, Bert H; Buma, Wybren J; Hartl, František; Woutersen, Sander

    2013-03-01

    An optically transparent thin-layer electrochemical (OTTLE) cell with a locally extended optical path has been developed in order to perform vibrational circular dichroism (VCD) spectroscopy on chiral molecules prepared in specific oxidation states by means of electrochemical reduction or oxidation. The new design of the electrochemical cell successfully addresses the technical challenges involved in achieving sufficient infrared absorption. The VCD-OTTLE cell proves to be a valuable tool for the investigation of chiral redox-active molecules.

  16. Temperature dependence of low-frequency polarized Raman scattering spectra in TlInS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Paucar, Raul; Wakita, Kazuki [Electronics and Computer Engineering, Chiba Institute of Technology, Chiba (Japan); Shim, YongGu; Mimura, Kojiro [Graduate School of Engineering, Osaka Prefecture University, Osaka (Japan); Alekperov, Oktay; Mamedov, Nazim [Institute of Physics, Azerbaijan National Academy of Sciences, Baku (Azerbaijan)

    2017-06-15

    In this work, we examined phase transitions in the layered ternary thallium chalcogenide TlInS{sub 2} by studying the temperature dependence of polarized Raman spectra with the aid of the Raman confocal microscope system. The Raman spectra were measured over the temperature range of 77-320 K (which includes the range of successive phase transitions) in the low-frequency region of 35-180 cm{sup -1}. The optical phonons that showed strong temperature dependence were identified as interlayer vibrations related to phase transitions, while the phonons that showed weak temperature dependence were identified as intralayer vibrations. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Raman Plus X: Biomedical Applications of Multimodal Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Nandan K. Das

    2017-07-01

    Full Text Available Raman spectroscopy is a label-free method of obtaining detailed chemical information about samples. Its compatibility with living tissue makes it an attractive choice for biomedical analysis, yet its translation from a research tool to a clinical tool has been slow, hampered by fundamental Raman scattering issues such as long integration times and limited penetration depth. In this review we detail the how combining Raman spectroscopy with other techniques yields multimodal instruments that can help to surmount the translational barriers faced by Raman alone. We review Raman combined with several optical and non-optical methods, including fluorescence, elastic scattering, OCT, phase imaging, and mass spectrometry. In each section we highlight the power of each combination along with a brief history and presentation of representative results. Finally, we conclude with a perspective detailing both benefits and challenges for multimodal Raman measurements, and give thoughts on future directions in the field.

  18. Surface enhanced Raman scattering

    CERN Document Server

    Furtak, Thomas

    1982-01-01

    In the course of the development of surface science, advances have been identified with the introduction of new diagnostic probes for analytical characterization of the adsorbates and microscopic structure of surfaces and interfaces. Among the most recently de­ veloped techniques, and one around which a storm of controversy has developed, is what has now been earmarked as surface enhanced Raman scattering (SERS). Within this phenomenon, molecules adsorbed onto metal surfaces under certain conditions exhibit an anomalously large interaction cross section for the Raman effect. This makes it possible to observe the detailed vibrational signature of the adsorbate in the ambient phase with an energy resolution much higher than that which is presently available in electron energy loss spectroscopy and when the surface is in contact with a much larger amount of material than that which can be tolerated in infrared absorption experiments. The ability to perform vibrational spectroscopy under these conditions would l...

  19. Two-Stage Vibration Isolation for Flexible Satellite Bus and Optic Payload Structures

    Science.gov (United States)

    2015-11-27

    and damper model and with neglectable mass . Subscripts denote degree of freedoms corresponding to actuators ( R ), actuator isolators’ locations on... damper inserted inside the elastic element. Comparing with liquid damper and viscoelastic material damper , this damper has such merits as simple...satellite bus and the optic payload are rigid body. This study indicates that a large mass ratio between the satellite bus and the optical payload can

  20. ULTRA-HIGH TEMPERATURE SENSORS BASED ON OPTICAL PROPERTY MODULATION AND VIBRATION-TOLERANT INTERFEROMETRY

    Energy Technology Data Exchange (ETDEWEB)

    Nabeel A. Riza

    2004-11-10

    The goals of the first six months of this project were to lay the foundations for both the SiC front-end optical chip fabrication as well as the free-space laser beam interferometer designs and preliminary tests. In addition, a Phase I goal was to design and experimentally build the high temperature and pressure infrastructure and test systems that will be used in the next 6 months for proposed sensor experimentation and data processing. All these goals have been achieved and are described in detail in the report. Both design process and diagrams for the mechanical elements as well as the optical systems are provided. In addition, photographs of the fabricated SiC optical chips, the high temperature & pressure test chamber instrument, the optical interferometer, the SiC sample chip holder, and signal processing data are provided. The design and experimentation results are summarized to give positive conclusions on the proposed novel high temperature optical sensor technology. The goals of the second six months of this project were to conduct high temperature sensing tests using the test chamber and optical sensing instrument designs developed in the first part of the project. In addition, a Phase I goal was to develop the basic processing theory and physics for the proposed first sensor experimentation and data processing. All these goals have been achieved and are described in detail. Both optical experimental design process and sensed temperature are provided. In addition, photographs of the fabricated SiC optical chips after deployment in the high temperature test chamber are shown from a material study point-of-view.

  1. Shape and vibration control of active laminated plates for RF and optical applications

    Science.gov (United States)

    Punhani, Amitesh; Washington, Gregory N.

    2006-03-01

    Active shape and vibration control of large structures have long been desired for many practical applications. PVDF being one of the most suitable materials for these applications due to its strong piezoelectric properties and availability in thin sheets has been the focal point of most researchers in this area. Most of the research has been done to find an open loop solution, which would be able to shape the structure as per the desired requirements in an ideal atmosphere. Unmodeled dynamics and external disturbances prevent the open loop (no feedback) solution from achieving the desired shape. This research develops a dynamic model of a laminated plate consisting of two layers of PVDF film joined with a layer of epoxy. The orthotropic properties of PVDF have been modeled and the epoxy layer is considered to be isotropic. A general control model is developed, which would work for most boundary conditions and developed for a simply supported beam with patch actuators. The methodology is then extended for a simply supported laminated plate. This model could be used for real time dynamic disturbance rejection and shape and vibration control of the structure.

  2. Sensitivity-enhanced transmission Raman spectroscopy.

    Science.gov (United States)

    Pelletier, Michael J

    2013-08-01

    Transmission Raman sensitivity for a representative commercial pharmaceutical tablet was increased by a factor of 40 using optics that returned lost laser and Raman photons to the tablet surface. A new achromatic one-way mirror is introduced that uses the spatial coherence of laser light to nondestructively force laser photons through the reflective tablet coating. Transmission Raman mapping and spatially offset Raman spectroscopy (SORS) mapping were developed and used to better understand the sensitivity-enhancement technology. Fundamental limitations of the sensitivity-enhancement approach are described and used to guide the design of the optics. The sensitivity-enhancement optics are compatible with commercial transmission Raman instruments.

  3. Polarized Raman spectroscopic characterization of normal and oral cancer blood plasma

    Science.gov (United States)

    Pachaiappan, Rekha; Prakasarao, Aruna; Singaravelu, Ganesan

    2017-02-01

    In India oral cancer ranks the top due to the habitual usage of tobacco in its various forms and remains the major burden. Hence priority is given for early diagnosis as it is the better solution for cure or to improve the survival rate. For the past three decades, optical spectroscopic techniques have shown its capacity in the discrimination of normal and malignant samples. Many research works have conventional Raman in the effective detection of cancer using the variations in bond vibrations of the molecules. However in addition polarized Raman provides the orientation and symmetry of biomolecules. If so can polarized Raman be the better choice than the conventional Raman in the detection of cancer? The present study aimed to found the answer for the above query. The conventional and polarized Raman spectra were acquired for the same set of blood plasma samples of normal subjects and oral malignant (OSCC) patients. Thus, obtained Raman spectral data were compared using linear discriminant analysis coupled with artificial neural network (LDA-ANN). The depolarization ratio of biomolecules such as antioxidant, amino acid, protein and nucleic acid bases present in blood plasma was proven to be the best attributes in the categorization of the groups. The polarized Raman results were promising in discriminating oral cancer blood plasma from that of normal blood plasma with improved efficiency. The results will be discussed in detail.

  4. Sum-Frequency-Generation-Based Laser Sidebands for Tunable Femtosecond Raman Spectroscopy in the Ultraviolet

    Directory of Open Access Journals (Sweden)

    Liangdong Zhu

    2015-04-01

    Full Text Available Femtosecond stimulated Raman spectroscopy (FSRS is an emerging molecular structural dynamics technique for functional materials characterization typically in the visible to near-IR range. To expand its applications we have developed a versatile FSRS setup in the ultraviolet region. We use the combination of a narrowband, ~400 nm Raman pump from a home-built second harmonic bandwidth compressor and a tunable broadband probe pulse from sum-frequency-generation-based cascaded four-wave mixing (SFG-CFWM laser sidebands in a thin BBO crystal. The ground state Raman spectrum of a laser dye Quinolon 390 in methanol that strongly absorbs at ~355 nm is systematically studied as a standard sample to provide previously unavailable spectroscopic characterization in the vibrational domain. Both the Stokes and anti-Stokes Raman spectra can be collected by selecting different orders of SFG-CFWM sidebands as the probe pulse. The stimulated Raman gain with the 402 nm Raman pump is >21 times larger than that with the 550 nm Raman pump when measured at the 1317 cm−1 peak for the aromatic ring deformation and ring-H rocking mode of the dye molecule, demonstrating that pre-resonance enhancement is effectively achieved in the unique UV-FSRS setup. This added tunability in the versatile and compact optical setup enables FSRS to better capture transient conformational snapshots of photosensitive molecules that absorb in the UV range.

  5. Raman spectroscopy an intensity approach

    CERN Document Server

    Guozhen, Wu

    2017-01-01

    This book summarizes the highlights of our work on the bond polarizability approach to the intensity analysis. The topics covered include surface enhanced Raman scattering, Raman excited virtual states and Raman optical activity (ROA). The first chapter briefly introduces the Raman effect in a succinct but clear way. Chapter 2 deals with the normal mode analysis. This is a basic tool for our work. Chapter 3 introduces our proposed algorithm for the Raman intensity analysis. Chapter 4 heavily introduces the physical picture of Raman virtual states. Chapter 5 offers details so that the readers can have a comprehensive idea of Raman virtual states. Chapter 6 demonstrates how this bond polarizability algorithm is extended to ROA intensity analysis. Chapters 7 and 8 offer details on ROA, showing many findings on ROA mechanism that were not known or neglected before. Chapter 9 introduces our proposed classical treatment on ROA which, as combined with the results from the bond polarizability analysis, leads to a com...

  6. Phase Transitions and Domain Structure in Mixed Tetragonal-Rhombohedral BiFeO3 thin films using Raman Spectroscopy and Nonlinear Optics

    Science.gov (United States)

    Vlahos, E.; Kumar, A.; Denev, S.; Melville, A.; Adamo, C.; Ihlefeld, J. F.; Sheng, G.; Zeches, R. J.; Zhang, J. X.; He, Q.; Yang, C. H.; Erni, R.; Rossell, M. D.; J, A.; Hatt; Chu, Y.-H.; Wang, C. H.; Ederer, C.; Gopalan, V.; Chen, L. Q.; Schlom, D. G.; Spaldin, N. A.; Martin, L. W.; Ramesh, R.; Tenne, Dmitri

    2010-03-01

    We have shown that biaxially strained BiFeO3 thin films can undergo an isosymmetric phase transition from a rhombohedral-like to a tetragonal-like phase. This talk discusses the evolution of the tetragonal and the mixed phases in BiFeO3/YAlO3 thin films with varying film thickness using optical second harmonic generation (SHG) and Raman spectroscopy. 25nm, 75nm, and 225 nm thick films were studied; thinner films are dominated by the tetragonal phase, whereas thicker films exhibit both tetragonal and rhombohedral phases. The evolution of these phases as function of film thickness and temperature was experimentally determined.

  7. Pulsed laser deposition of poly(methyl methacrylate) thin films: experimental evidence by XRD, XPS, AFM, optical microscopy, Raman spectroscopy, and FTIR

    Science.gov (United States)

    Cristescu, R.; Socol, Gabriel; Mihailescu, Ion N.; Morjan, Ion G.; Soare, Iulia; Popescu, Mihai A.; Sava, F.; Morosanu, C. O.; Stamatin, I.; Andrei, A.; Neamtu, Johny

    2003-11-01

    We report the obtaining of thin organic films based on poly(methyl methacrylate) polymer by Pulsed Laser Deposition on silicon substrates and quartz slides. The films were characterized by complementary techniques: x-ray Diffraction, x-ray Photoelectron Spectroscopy, Atomic Force Microscopy, Optical Microscopy, Raman Spectroscopy and Fourier Transform Infrared Spectroscopy. The obtained structures are amorphous. The film composition and structure depend on both the laser fluence as well as on the temperature of the substrate during deposition. We put in evidence in freshly deposited films the presence of diamond-like carbon while its amount strongly increases by annealing at ~400°C in Argon atmosphere.

  8. Quasi-optical coherence vibration tomography technique for damage detection in beam-like structures based on auxiliary mass induced frequency shift

    Science.gov (United States)

    Zhong, Shuncong; Zhong, Jianfeng; Zhang, Qiukun; Maia, Nuno

    2017-09-01

    A novel quasi-optical coherence vibration tomography (Quasi-OCVT) measurement system suitable for structural damage detection is proposed by taking the concept of two-dimensional optical coherence vibration tomography (2D-OCVT) technique. An artificial quasi-interferogram fringe pattern (QIFP) similar to the interferogram of 2D-OCVT system, as a sensor, was pasted on the surface of a vibrating structure. Image sequences of QIFP were captured by a high-speed camera that worked as a detector. The period density of the imaged QIFP changed due to the structural vibration, from which the vibration information of the structure could be obtained. Noise influence on the measurement accuracy, torsional sensitivity and optical distortion effect of the Quasi-OCVT system were investigated. The efficiency and reliability of the proposed method were demonstrated by applying the system to damage detection of a cracked beam-like structure with a roving auxiliary mass. The roving of the mass along the cracked beam brings about the change of natural frequencies that could be obtained by the Quasi-OCVT technique. Therefore, frequency-shift curves can be achieved and these curves provide additional spatial information for structural damage detection. Same cases were also analyzed by the finite element method (FEM) and conventional accelerometer-based measurement method. Comparisons were carried out among these results. Results obtained by the proposed Quasi-OCVT method had a good agreement with the ones obtained by FEM, from which the damage could be directly detected. However, the results obtained by conventional accelerometer showed misleading ambiguous peaks at damage position owing to the mass effect on the structure, where the damage location cannot be identified confidently without further confirmation. The good performance of the cost-effective Quasi-OCVT method makes it attractive for vibration measurement and damage detection of beam-like structures.

  9. Study of EDFA and Raman system transmission reach with 256 Gb/s PM-16QAM signals over three optical fibers with 100 km spans.

    Science.gov (United States)

    Downie, John D; Hurley, Jason; Pikula, Dragan; Ten, Sergey; Towery, Chris

    2013-07-15

    We compare the transmission performance of three different optical fibers in separate 256 Gb/s PM-16QAM systems amplified with erbium doped fiber amplifiers (EDFAs) and distributed Raman amplification. The span length in each system is 100 km. The fibers studied include standard single-mode fiber, single-mode fiber with ultra-low loss, and ultra-low loss fiber with large effective area. We find that the single-mode fiber with ultra-low loss and the large effective area fiber with ultra-low loss afford reach advantages of up to about 31% and 80%, respectively, over standard fiber measured at distances with 3 dB margin over the forward error correction (FEC) threshold. The Raman amplified systems provide about 50% reach length enhancement over the EDFA systems for all three fibers in the experimental set-up. For the best performing fiber with large effective area and ultra-low loss, the absolute reach lengths with 3 dB margin are greater than 1140 km and 1700 km for the for EDFA and Raman systems, respectively.

  10. Characterization of the zircon mineral by micro-Raman spectroscopy, optical and scanning electron microscopy; Caracterizacao do mineral zircao atraves de espectroscopia micro-Raman, microscopia optica e MEV

    Energy Technology Data Exchange (ETDEWEB)

    Dias, A.N.C.; Tello, C.A.S.; Soares, C.J.; Novaes, F.P.; Selmini, M.C.; Oliveira, R.D.; Barra, B.C.; Osorio, A.M.A.B., E-mail: diasanc@bol.com.b [UNESP, Presidente Prudente, SP (Brazil). Dept. de Fisica, Quimica e Biologia

    2007-07-01

    Results concerning the characterization of the zircon mineral by micro-Raman spectroscopy, optical microscopy and scanning electron microscopy (SEM) are presented in this work. The main objective was the implementation of a new methodology for dating zircon using the Fission Track Method (FTM). It is shown that if there is even a small region which presents an uniform distribution of fission tracks, it is possible to use the method for dating minerals. This is important because so far the scientific community has only been using grains which show fission track uniformity on all grain surface. This restriction reduces, significantly, the amount of datable grains, generating great systematic errors. The sample used in this work was collected in the state of Paraiba, Brazil, and is called JP. The results have been rather meaningful and this methodology will be applied for dating geological formations which belong to Bauru Group

  11. Vibration-immune compact optical metrology to enable production-line quantification of fine scale features

    Science.gov (United States)

    Novak, Erik

    2017-08-01

    Inspectors attempting to quantify defects and fine-scale features on precision machined surfaces are often limited by the capabilities and form factors of existing measurement techniques. Inspectors most often rely on imprecise and inaccurate visual comparison tools or pin gauges to determine the geometry of surface features. This paper will describe key attributes of a metrology system for quantification of small features in a production environment and present critical performance tests on the system including vertical and lateral resolution and correlation with other techniques. Additionally, various new applications will be discussed which are fundamentally enabled through access to a portable, vibration-immune, system that is both quantitative and easy-to-use.

  12. Laterally Vibrating Resonator Based Elasto-Optic Modulation in Aluminum Nitride

    Science.gov (United States)

    2016-08-15

    for E3,eff , so as to include the effect of the electro-optic coefficient. FEM simulations using COMSOL are shown for the mechanical mode at 843 MHz...photonic racetrack resonator is centered at a position corresponding to the placement of a virtual CMR electrode. COMSOL FEM simulations of: (a

  13. Inducing spin-dependent tunneling to probe magnetic correlations in optical lattices

    DEFF Research Database (Denmark)

    Pedersen, Kim-Georg; Andersen, Brian; Syljuåsen, Olav

    2012-01-01

    We suggest a simple experimental method for probing antiferromagnetic spin correlations of two-component Fermi gases in optical lattices. The method relies on a spin selective Raman transition to excite atoms of one spin species to their first excited vibrational mode where the tunneling is large...

  14. Random Raman lasing

    CERN Document Server

    Hokr, Brett H; Mason, John D; Beier, Hope T; Rockwll, Benjamin A; Thomas, Robert J; Noojin, Gary D; Petrov, Georgi I; Golovan, Leonid A; Yakovlev, Vladislav V

    2013-01-01

    Propagation of light in a highly scattering medium is among the most fascinating optical effect that everyone experiences on an everyday basis and possesses a number of fundamental problems which have yet to be solved. Conventional wisdom suggests that non-linear effects do not play a significant role because the diffusive nature of scattering acts to spread the intensity, dramatically weakening these effects. We demonstrate the first experimental evidence of lasing on a Raman transition in a bulk three-dimensional random media. From a practical standpoint, Raman transitions allow for spectroscopic analysis of the chemical makeup of the sample. A random Raman laser could serve as a bright Raman source allowing for remote, chemically specific, identification of powders and aerosols. Fundamentally, the first demonstration of this new light source opens up an entire new field of study into non-linear light propagation in turbid media, with the most notable application related to non-invasive biomedical imaging.

  15. Two dimensional vibrations of the guinea pig apex organ of Corti measured in vivo using phase sensitive Fourier domain optical coherence tomography

    Science.gov (United States)

    Ramamoorthy, Sripriya; Zhang, Yuan; Petrie, Tracy; Fridberger, Anders; Ren, Tianying; Wang, Ruikang; Jacques, Steven L.; Nuttall, Alfred L.

    2015-02-01

    In this study, we measure the in vivo apical-turn vibrations of the guinea pig organ of Corti in both axial and radial directions using phase-sensitive Fourier domain optical coherence tomography. The apical turn in guinea pig cochlea has best frequencies around 100 - 500 Hz which are relevant for human speech. Prior measurements of vibrations in the guinea pig apex involved opening the otic capsule, which has been questioned on the basis of the resulting changes to cochlear hydrodynamics. Here this limitation is overcome by measuring the vibrations through bone without opening the otic capsule. Furthermore, we have significantly reduced the surgery needed to access the guinea pig apex in the axial direction by introducing a miniature mirror inside the bulla. The method and preliminary data are discussed in this article.

  16. Vibrational Spectral Studies and Ab initio Computations of a Nonlinear Food Dye Carmoisine

    Science.gov (United States)

    Snehalatha, M.; Ravikumar, C.; Sekar, N.; Jayakumar, V. S.; Joe, I. Hubert

    2008-11-01

    FT-IR and Raman techniques were employed for the vibrational characterization of the food dye Carmoisine (E122). The equilibrium geometry, various bonding features, and harmonic vibrational wavenumbers have been investigated with the help of density functional theory (DFT) calculations. The first hyperpolarizability of the molecule is calculated. A good correlation was found between the computed and experimental wavenumbers. Azo stretching wavenumbers have been lowered due to conjugation and π-electron delocalization. The optimized structure indicates intramolecular C-H …O=S hydrogen bonding in the molecule. Intramolecular charge transfer (ICT) responsible for the optical nonlinearity of the dye molecule has been discussed theoretically and experimentally.

  17. Low-Resolution Raman-Spectroscopy Combustion Thermometry

    Science.gov (United States)

    Nguyen, Quang-Viet; Kojima, Jun

    2008-01-01

    A method of optical thermometry, now undergoing development, involves low-resolution measurement of the spectrum of spontaneous Raman scattering (SRS) from N2 and O2 molecules. The method is especially suitable for measuring temperatures in high pressure combustion environments that contain N2, O2, or N2/O2 mixtures (including air). Methods based on SRS (in which scattered light is shifted in wavelength by amounts that depend on vibrational and rotational energy levels of laser-illuminated molecules) have been popular means of probing flames because they are almost the only methods that provide spatially and temporally resolved concentrations and temperatures of multiple molecular species in turbulent combustion. The present SRS-based method differs from prior SRS-based methods that have various drawbacks, a description of which would exceed the scope of this article. Two main differences between this and prior SRS-based methods are that it involves analysis in the frequency (equivalently, wavelength) domain, in contradistinction to analysis in the intensity domain in prior methods; and it involves low-resolution measurement of what amounts to predominantly the rotational Raman spectra of N2 and O2, in contradistinction to higher-resolution measurement of the vibrational Raman spectrum of N2 only in prior methods.

  18. Structure, morphology and Raman and optical spectroscopic analysis of In1-xCuxP thin films grown by MOCVD technique for solar cell applications

    Science.gov (United States)

    Alshahrie, Ahmed; Juodkazis, S.; Al-Ghamdi, A. A.; Hafez, M.; Bronstein, L. M.

    2017-10-01

    Nanocrystalline In1-xCuxP thin films (0 ≤ x ≤ 0.5) have been deposited on quartz substrates by a Metal-Organic Chemical Vapor Deposition (MOCVD) technique. The effect of the copper ion content on the structural crystal lattice, morphology and optical behavior of the InP thin films was assessed using X-ray diffraction, scanning electron microscopy, atomic force microscopy, Raman spectroscopy and spectrophotometry. All films exhibited a crystalline cubic zinc blende structure, inferring the solubility of the Cu atoms in the InP crystal structure. The XRD patterns demonstrated that the inclusion of Cu atoms into the InP films forced the nanoparticles in the films to grow along the (1 1 1) direction. The AFM topography showed that the Cu ions reduce the surface roughness of deposited films. The Raman spectra of the deposited films contain the first and second order anti-stoke ΓTO, ΓLO, ΧLO + ΧTO, 2ΓTO, and ΓLO + ΓTO bands which are characteristic of the InP crystalline structure. The intensities of these bands decreased with increasing the content of the Cu atoms in the InP crystals implying the creation of a stacking fault density in the InP crystal structure. The In1-xCuxP thin films have shown high optical transparency of 90%. An increase of the optical band gap from 1.38 eV to 1.6 eV was assigned to the increase of the amount of Cu ions in the InP films. The In0.5Cu0.5P thin film exhibited remarkable optical conductivity with very low dissipation factor which makes it a promising buffer window for solar energy applications.

  19. Crystal growth, crystal structure, vibrational spectroscopy, linear and nonlinear optical properties of guanidinium phosphates

    Science.gov (United States)

    Němec, Ivan; Matulková, Irena; Held, Peter; Kroupa, Jan; Němec, Petr; Li, Dongxu; Bohatý, Ladislav; Becker, Petra

    2017-07-01

    Of the three guanidinium phosphates GuH2PO4 (space group P21/c), Gu2HPO4·H2O (space group P 4 bar 21 c) and Gu3PO4· 3/2 H2O (space group Cc) crystal structures and a vibrational spectroscopy study are presented. Large single crystals of GuH2PO4 and Gu2HPO4·H2O are grown. Refractive indices and their dispersion in the wavelength range 365 nm - 1083 nm are determined and used for the analysis of phase matching conditions for collinear SHG in the case of the non-centrosymmetric crystals of Gu2HPO4·H2O. The crystals are not phase-matchable within their transmission range. Both independent components of the SHG tensor of Gu2HPO4·H2O, determined by the Maker fringe method, are given, with d14 = 0.23 pm/V and d36 = 0.22 pm/V. In addition, the thermal stability and the anisotropy of thermal expansion of GuH2PO4 and Gu2HPO4·H2O is reported.

  20. 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.

  1. Coherent anti-Stokes Raman scattering microscopy of single nanodiamonds

    Science.gov (United States)

    Pope, Iestyn; Payne, Lukas; Zoriniants, George; Thomas, Evan; Williams, Oliver; Watson, Peter; Langbein, Wolfgang; Borri, Paola

    2016-01-01

    Nanoparticles have attracted enormous attention for biomedical applications as optical labels, drug delivery vehicles, and contrast agents in vivo. In the quest for superior photostability and bio-compatibility, nanodiamonds (NDs) are considered one of the best choices due to their unique structural, chemical, mechanical, and optical properties. So far, mainly fluorescent NDs have been utilized for cell imaging. However, their use is limited by the efficiency and costs in reliably producing fluorescent defect centers with stable optical properties. Here, we show that single non-fluorescing NDs exhibit strong coherent anti-Stokes Raman scattering (CARS) at the sp3 vibrational resonance of diamond. Using correlative light and electron microscopy, the relationship between CARS signal strength and ND size is quantified. The calibrated CARS signal in turn enables the analysis of the number and size of NDs internalized in living cells in situ, which opens the exciting prospect of following complex cellular trafficking pathways quantitatively. PMID:25305746

  2. Coherent anti-Stokes Raman scattering under electric field stimulation

    Science.gov (United States)

    Capitaine, Erwan; Ould Moussa, Nawel; Louot, Christophe; Lefort, Claire; Pagnoux, Dominique; Duclère, Jean-René; Kaneyasu, Junya F.; Kano, Hideaki; Duponchel, Ludovic; Couderc, Vincent; Leproux, Philippe

    2016-12-01

    We introduce an experiment using electro-CARS, an electro-optical method based on the combination of ultrabroadband multiplex coherent anti-Stokes Raman scattering (M-CARS) spectroscopy and electric field stimulation. We demonstrate that this method can effectively discriminate the resonant CARS signal from the nonresonant background owing to a phenomenon of molecular orientation in the sample medium. Such molecular orientation is intrinsically related to the induction of an electric dipole moment by the applied static electric field. Evidence of the electro-CARS effect is obtained with a solution of n -alkanes (CnH2 n +2 , 15 ≤n ≤40 ), for which an enhancement of the CARS signal-to-noise ratio is achieved in the case of CH2 and CH3 symmetric/asymmetric stretching vibrations. Additionally, an electric-field-induced second-harmonic generation experiment is performed in order to corroborate the orientational organization of molecules due to the electric field excitation. Finally, we use a simple mathematical approach to compare the vibrational information extracted from electro-CARS measurements with spontaneous Raman data and to highlight the impact of electric stimulation on the vibrational signal.

  3. Vibrational spectroscopy at very high pressures. Part 28. Raman and far-infrared spectra of some complex chlorides A2MCl6 under hydrostatic pressure

    DEFF Research Database (Denmark)

    Adams, David M.; Berg, Rolf W.; Williams, Alan D.

    1981-01-01

    Raman and far-IR mode frequency shifts with pressure have been observed under hydrostatic conditions in a gasketed diamond anvil cell (d.a.c.). Using compressibilities calculated from unit cell constants and lattice energies, Grüneisen parameters gammai have been obtained for all observed modes...... pressure curves for K2SnCl6 and [(CH3)4N]2MCl6 (M=Sn, Te, Pt) are discussed in relation to their structures. Shifts of nu-tilde i with temperature for K2ReCl6 and K2PtCl6 are analyzed into explicit and implicit anharmonic contributions. The Journal of Chemical Physics is copyrighted by The American...

  4. Structural, optical, vibrational, and magnetic properties of sol-gel derived Ni doped ZnO nanoparticles

    Science.gov (United States)

    Srinet, Gunjan; Kumar, Ravindra; Sajal, Vivek

    2013-07-01

    With a view to study structural, optical, vibrational, and magnetic properties of solgel derived Zn1-xNixO (x = 0.02, 0.04, and 0.06) nanoparticles, systematic investigations have been carried out. The Rietveld refinement of X-ray powder diffraction data revealed a single hexagonal phase with space group P63mc. The secondary phase of NiO appeared only in 6% Ni doped sample. Phonon modes in Ni doped ZnO nanoparticles were studied through Fourier transform infrared measurements. Furthermore, the enhancement in optical band gap with Ni doping from 3.29 to 3.32 eV has been observed through UV-visible spectroscopic analysis. Photoluminescence spectra of Zn1-xNixO show the UV-emission peak showing the blue shift with increase in doping concentration followed by broad visible (blue) emission corresponding to the defect emission whose intensity decreased with increasing Ni concentration. A clear room temperature ferromagnetism is observed in all samples but saturation magnetization decreased with increasing Ni content. The suitability of bound magnetic polarons (BMP) model is checked and numbers of BMPs are found to be of the order 1015 per cm3, which is very small for the percolation in ZnO. In the present case, oxygen rich stoichiometry with enhanced Zn-O bonding favours the indirect Ni-O-Ni ferromagnetic exchange coupling and reduction of oxygen vacancies leading to strong hybridization of Ni in ZnO host matrix responsible for room temperature ferromagnetism.

  5. Industrial applications of Raman spectroscopy

    Science.gov (United States)

    Grasselli, J. G.; Walder, F.; Petty, C.; Kemeny, G.

    1993-03-01

    In the last two decades, Raman spectroscopy has matured as an important method for the study of molecules and complex molecular systems. This is evident from the number of fine texts and the many review articles which have been published describing theory and applications of Raman spectroscopy over a very broad range of subjects (1-10). Raman spectroscopy is the essential partner to infrared spectroscopy for a complete vibrational analysis of a molecule in structure determinations. From the understanding developed on small molecules, theory was extended to interpret the spectra of larger systems such as polymers, biological molecules, and ordered condensed phases. The contribution of Raman spectroscopy to these areas has been significant. It was the development of commercial lasers in the 1960s which spurred the renewed interest in the Raman technique. But applications were still limited for highly fluorescing or intensely colored systems. In 1986, a breakthrough paper by Hirschfeld and Chase (11) described the use of near-infrared laser excitation and a commercial interferometer-based FT-IR spectrometer to record FT-Raman spectra. Significant advantages included the inherent multiplex, throughput and data processing features of the FT interferometers and the use of a ND:YAG laser (1.064 μm) which dramatically decreased problems with sample fluorescence and decomposition. A deluge of papers describing applications of FT-Raman spectroscopy can be found in the Journal of Raman Spectroscopy, Spectrochimica Acta (special issues 40A ad 47A), and Applied Spectroscopy since then.

  6. All-Fiber Raman Probe

    DEFF Research Database (Denmark)

    Brunetti, Anna Chiara

    by means of fiber components. Assuming the possibility to use a fiber laser with a fundamental radiation at 1064nm, in-fiber efficient second harmonic generation is achieved by optically poling the core of the waveguide delivering the excitation light to the sample. In this way, Raman spectroscopy...... of the collected Raman scattering from the inner-cladding region of the double-clad fiber, thus replacing the bulk dichroic component normally used to demultiplex the pump and Raman signal. A tunable Rayleigh-rejection filter based on a liquid filled-photonic bandgap fiber is also demonstrated in this work......The design and development of an all-in-fiber probe for Raman spectroscopy are presented in this Thesis. Raman spectroscopy is an optical technique able to probe a sample based on the inelastic scattering of monochromatic light. Due to its high specificity and reliability and to the possibility...

  7. Temporal variations in optical and microphysical properties of mineral dust and biomass burning aerosol derived from daytime Raman lidar observations over Warsaw, Poland

    Science.gov (United States)

    Janicka, Lucja; Stachlewska, Iwona S.; Veselovskii, Igor; Baars, Holger

    2017-11-01

    In July 2013, favorable weather conditions caused a severe events of advection of biomass burning particles of Canadian forest fires to Europe. The smoke layers were widely observed, especially in Western Europe. An unusual atmospheric aerosol composition was measured at the EARLINET site in Warsaw, Central Poland, during a short event that occurred between 11 and 21 UTC on 10th July 2013. Additionally to the smoke layer, mineral dust was detected in a separate layer. The long-range dust transport pathway followed an uncommon way; originating in Western Sahara, passing above middle Atlantic, and circulating over British Islands, prior to its arrival to Poland. An effective radius of 560 nm was obtained for Saharan dust over Warsaw. This relatively small effective radius is likely due to the long time of the transport. The aerosol-polarization-Raman PollyXT-UW lidar was used for a successful daytime Raman retrieval of the aerosol optical properties at selected times during this short event. The aerosol vertical structure during the inflow over Warsaw in terms of optical properties and depolarization was analyzed, indicating clear distinction of the layers. The microphysical properties were inverted from the lidar derived optical data for selected ranges as representing the smoke and the mineral dust. For smoke, the effective radius was in the range of 0.29-0.36 μm and the complex refractive index 1.36 + 0.008i, on average. For dust, the values of 0.33-0.56 μm and 1.56 + 0.004i were obtained. An evolution of the aerosol composition over Warsaw during the day was analyzed.

  8. 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.

  9. Optical pathology of human brain metastasis of lung cancer using combined resonance Raman and spatial frequency spectroscopies

    Science.gov (United States)

    Zhou, Yan; Liu, Cheng-hui; Pu, Yang; Cheng, Gangge; Zhou, Lixin; Chen, Jun; Zhu, Ke; Alfano, Robert R.

    2016-03-01

    Raman spectroscopy has become widely used for diagnostic purpose of breast, lung and brain cancers. This report introduced a new approach based on spatial frequency spectra analysis of the underlying tissue structure at different stages of brain tumor. Combined spatial frequency spectroscopy (SFS), Resonance Raman (RR) spectroscopic method is used to discriminate human brain metastasis of lung cancer from normal tissues for the first time. A total number of thirty-one label-free micrographic images of normal and metastatic brain cancer tissues obtained from a confocal micro- Raman spectroscopic system synchronously with examined RR spectra of the corresponding samples were collected from the identical site of tissue. The difference of the randomness of tissue structures between the micrograph images of metastatic brain tumor tissues and normal tissues can be recognized by analyzing spatial frequency. By fitting the distribution of the spatial frequency spectra of human brain tissues as a Gaussian function, the standard deviation, σ, can be obtained, which was used to generate a criterion to differentiate human brain cancerous tissues from the normal ones using Support Vector Machine (SVM) classifier. This SFS-SVM analysis on micrograph images presents good results with sensitivity (85%), specificity (75%) in comparison with gold standard reports of pathology and immunology. The dual-modal advantages of SFS combined with RR spectroscopy method may open a new way in the neuropathology applications.

  10. Stability and Band-Gap Tuning of the Chalcogenide Perovskite BaZrS3 in Raman and Optical Investigations at High Pressures

    Science.gov (United States)

    Gross, Nelson; Sun, Yi-Yang; Perera, Samanthe; Hui, Haolei; Wei, Xiucheng; Zhang, Shengbai; Zeng, Hao; Weinstein, B. A.

    2017-10-01

    We report experiments and calculations investigating the pressure and temperature dependences of the optical phonons in BaZrS3 , and the pressure dependence of its absorption edge. BaZrS3 is a chalcogenide perovskite in a novel class of materials being considered for photovoltaics. It is studied by Raman spectroscopy as functions of temperature (at 1 atm) and pressure (at 120 and 295 K), and by pressure-transmission spectroscopy at 295 K. Density-functional-theory calculations predict the allowed Raman lines, their intensities, their pressure shifts, and the band-gap pressure shift. Cooling shifts all but one of the phonon peaks to higher frequencies; the temperature coefficients are typical of semiconductors. A strong low-temperature peak at 392.3 cm-1 is attributed to resonant forbidden LO scattering; its shift with temperature has the opposite sign. The pressure coefficients of the phonon frequencies for all observed Raman peaks are positive, indicating no mode softening. The rates of pressure shift also are typical, and show the customary scaling with phonon frequency. Experiment and theory show good agreement on the pressure-induced frequency shifts. The BaZrS3 absorption edge moves to lower energy with pressure, reflecting a reduction of the band gap. The measured shift is ˜-0.015 eV /GPa , slightly less than the density-functional-theory result of -0.025 eV /GPa . We find no evidence that the perovskite structure of BaZrS3 undergoes any phase changes under hydrostatic pressure to at least 8.9 GPa. Our results indicate the robust structural stability of BaZrS3 , and suggest cation alloying as a viable approach for band-gap engineering for photovoltaic and other applications.

  11. An energy ratio feature extraction method for optical fiber vibration signal

    Science.gov (United States)

    Sheng, Zhiyong; Zhang, Xinyan; Wang, Yanping; Hou, Weiming; Yang, Dan

    2017-12-01

    The intrusion events in the optical fiber pre-warning system (OFPS) are divided into two types which are harmful intrusion event and harmless interference event. At present, the signal feature extraction methods of these two types of events are usually designed from the view of the time domain. However, the differences of time-domain characteristics for different harmful intrusion events are not obvious, which cannot reflect the diversity of them in detail. We find that the spectrum distribution of different intrusion signals has obvious differences. For this reason, the intrusion signal is transformed into the frequency domain. In this paper, an energy ratio feature extraction method of harmful intrusion event is drawn on. Firstly, the intrusion signals are pre-processed and the power spectral density (PSD) is calculated. Then, the energy ratio of different frequency bands is calculated, and the corresponding feature vector of each type of intrusion event is further formed. The linear discriminant analysis (LDA) classifier is used to identify the harmful intrusion events in the paper. Experimental results show that the algorithm improves the recognition rate of the intrusion signal, and further verifies the feasibility and validity of the algorithm.

  12. Distributed acoustic and vibration sensing via optical fractional Fourier transform reflectometry.

    Science.gov (United States)

    Shiloh, Lihi; Eyal, Avishay

    2015-02-23

    Distributed acoustic sensing has been traditionally implemented using optical reflectometry. Here we describe an alternative to the common interrogation approaches. According to the new method the frequency of the source is varied sinusoidally with time. For a sufficiently high scan frequency there is a position along the fiber,  z(0), for which the roundtrip time is half the scan period. Back-reflections from this point will generate a linear chirp at the receiver output. The Fractional Fourier Transform (FrFT) is used to analyze the receiver output and yields the reflection profile at z(0) and its vicinity. The method, which enables high spatial resolution at long distances with high scan rates, is demonstrated by detecting deliberate perturbations in the Rayleigh backscatter profile at the end of a 20km fiber with a scanning frequency of ~2.5kHz. The spatial resolution at this range and scan-rate is characterized by a measurement of the backscatter profile from a FBG's-array and is found to be ~2.8m.

  13. Broad expansion of optical frequency combs by self-Raman scattering in coupled-cavity self-mode-locked monolithic lasers.

    Science.gov (United States)

    Chang, M T; Huang, T L; Liang, H C; Su, K W; Chen, Y F

    2017-04-03

    Broad expansion of optical frequency comb (OFC) by the self-Raman scattering is numerically analyzed and experimentally accomplished in a coupled-cavity self-mode-locked (SML) monolithic Yb:KGW laser. The gain medium is coated to achieve the monolithic SML operation and a partially reflective mirror is further exploited to form the coupled cavity and to multiply the repetition rate up to 128.9 GHz. With a coupled reflectivity of 95%, it is experimentally found that not only the first-order but also second-order stimulated Raman scattering (SRS) can be efficiently generated. The mode-locked OFC can be consequently expanded to reach approximately 8.4 THz, leading the pulse width to be as narrow as 53 fs. At the pump power of 8.7 W, the total output power for the fundamental and the first- and second-Stokes waves can be maintained at 1.6 W. The present exploration provides a promising way to generate the ultrahigh-repetition-rate broadband OFC via the simultaneous SML and SRS processes.

  14. Thermal characteristics, Raman spectra, optical and structural properties of TiO2-Bi2O3-B2O3-TeO2 glasses

    Science.gov (United States)

    Gupta, Nupur; Khanna, Atul; Gonzàlez, Fernando; Iordanova, Reni

    2017-05-01

    Tellurite and borotellurite glasses containing Bi2O3 and TiO2 were prepared and structure-property correlations were carried out by density measurements, X-ray Diffraction (XRD), Differential Scanning Calorimetry (DSC), Raman and UV-visible spectroscopy. Titanium tellurite glasses require high melt-cooling rates and were fabricated by splat quenching. On adding B2O3, the glass forming ability (GFA) enhances, and glasses could be synthesized at lower quenching rates. The density of glasses shows a direct correlation with molecular mass of the constituents. UV-visible studies were used to determine the optical band gap and refractive index. Raman studies found that the co-ordination number of tellurium ions with oxygen (NTe-O) decreases with the increase in B2O3 as well as Bi2O3 content while, TiO2 produce only a small decrease in NTe-O, which explains the lower GFA of titanium tellurite glasses that do not contain Bi2O3 and B2O3. DSC studies show that the glass transition temperature (Tg) increases with B2O3 and TiO2 concentrations and that Tg correlates well with bond enthalpy of the metal oxides.

  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. Fiber array based hyperspectral Raman imaging for chemical selective analysis of malaria-infected red blood cells

    Energy Technology Data Exchange (ETDEWEB)

    Brückner, Michael [Leibniz Institute of Photonic Technology, 07745 Jena (Germany); Becker, Katja [Justus Liebig University Giessen, Biochemistry and Molecular Biology, 35392 Giessen (Germany); Popp, Jürgen [Leibniz Institute of Photonic Technology, 07745 Jena (Germany); Friedrich Schiller University Jena, Institute for Physical Chemistry, 07745 Jena (Germany); Friedrich Schiller University Jena, Abbe Centre of Photonics, 07745 Jena (Germany); Frosch, Torsten, E-mail: torsten.frosch@uni-jena.de [Leibniz Institute of Photonic Technology, 07745 Jena (Germany); Friedrich Schiller University Jena, Institute for Physical Chemistry, 07745 Jena (Germany); Friedrich Schiller University Jena, Abbe Centre of Photonics, 07745 Jena (Germany)

    2015-09-24

    A new setup for Raman spectroscopic wide-field imaging is presented. It combines the advantages of a fiber array based spectral translator with a tailor-made laser illumination system for high-quality Raman chemical imaging of sensitive biological samples. The Gaussian-like intensity distribution of the illuminating laser beam is shaped by a square-core optical multimode fiber to a top-hat profile with very homogeneous intensity distribution to fulfill the conditions of Koehler. The 30 m long optical fiber and an additional vibrator efficiently destroy the polarization and coherence of the illuminating light. This homogeneous, incoherent illumination is an essential prerequisite for stable quantitative imaging of complex biological samples. The fiber array translates the two-dimensional lateral information of the Raman stray light into separated spectral channels with very high contrast. The Raman image can be correlated with a corresponding white light microscopic image of the sample. The new setup enables simultaneous quantification of all Raman spectra across the whole spatial area with very good spectral resolution and thus outperforms other Raman imaging approaches based on scanning and tunable filters. The unique capabilities of the setup for fast, gentle, sensitive, and selective chemical imaging of biological samples were applied for automated hemozoin analysis. A special algorithm was developed to generate Raman images based on the hemozoin distribution in red blood cells without any influence from other Raman scattering. The new imaging setup in combination with the robust algorithm provides a novel, elegant way for chemical selective analysis of the malaria pigment hemozoin in early ring stages of Plasmodium falciparum infected erythrocytes. - Highlights: • Raman hyperspectral imaging allows for chemical selective analysis of biological samples with spatial heterogeneity. • A homogeneous, incoherent illumination is essential for reliable

  17. Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory.

    Science.gov (United States)

    Kumar, Amit; Deval, Vipin; Tandon, Poonam; Gupta, Archana; Deepak D'silva, E

    2014-09-15

    A combined experimental and theoretical investigation on FT-IR, FT-Raman, NMR, UV-vis spectra of a chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one (4N4MSP) has been reported. 4N4MSP has two planar rings connected through conjugated double bond and it provides a necessary configuration to show non-linear optical (NLO) response. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands are interpreted with the aid of structure optimizations and normal coordinate force field calculations based on density functional theory (DFT) with B3LYP functional and 6-311++G(d,p) basis set combination. The analysis of the fundamental modes was made with the help of potential energy distribution (PED). Molecular electrostatic potential (MEP) surface was plotted over the geometry primarily for predicting sites and relative reactivities towards electrophilic and nucleophilic attack. The delocalization of electron density of various constituents of the molecule has been discussed with the aid of NBO analysis. The electronic properties, such as excitation energies, oscillator strength, wavelengths, HOMO and LUMO energies, were calculated by time-dependent density functional theory (TD-DFT) and the results complement the experimental findings. The recorded and calculated 1H chemical shifts in gas phase and MeOD solution are gathered for reliable calculations of magnetic properties. Thermodynamic properties like heat capacity (C°p,m), entropy (S°m), enthalpy (H°m) have been calculated for the molecule at the different temperatures. Based on the finite-field approach, the non-linear optical (NLO) parameters such as dipole moment, mean polarizability, anisotropy of polarizability and first order hyperpolarizability of 4N4MSP molecule are calculated. The predicted first hyperpolarizability shows that the molecule has a reasonably good nonlinear optical (NLO) behavior. Copyright © 2014 Elsevier B.V. All

  18. Silicon Photonics-Silicon Raman Lasers

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 12; Issue 10. Silicon Photonics - Silicon Raman Lasers. P K Basu. General Article Volume 12 ... Keywords. Silicon photonics; Si Raman laser; semiconductor laser; light emitter; optical interconnect; optical communication; Indirect gap semiconductors.

  19. Raman active modes of NiSi crystal

    Energy Technology Data Exchange (ETDEWEB)

    Wan Li, E-mail: liwan_china@yahoo.com.c [Department of Physics, Wenzhou University (China); Tang Bo; Cheng Xinhong; Ren Yiming; Zhang Xuefei; Xu Dapeng; Luo Haijun; Huang Yunmi [Department of Physics, Wenzhou University (China)

    2009-08-01

    Raman scattering intensities of the NiSi Raman-active modes have been calculated with three Raman measurement configurations, which can be used for the symmetry assignment of the NiSi Raman peaks. Raman-active vibrations of the NiSi crystal have also been theoretically studied. Results show that the lattices with A{sub g} and B{sub 2g} modes vibrate only in the plane normal to the NiSi[0 1 0] direction while the lattices with B{sub 1g} and B{sub 3g} modes vibrate only along the NiSi[0 1 0] axis. Based on such study, the relationship between the anisotropic strain distribution in the NiSi thin film and the Raman peak shifts has been briefly discussed.

  20. Vibrational spectroscopy of resveratrol

    Science.gov (United States)

    Billes, Ferenc; Mohammed-Ziegler, Ildikó; Mikosch, Hans; Tyihák, Ernő

    2007-11-01

    In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy- trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Based on the calculated force constants, a normal coordinate analysis yielded the character of the vibrational modes and the assignment of the measured spectral bands.

  1. Label-Free Optical Detection of Acute Myocardial Infarction Based on Blood Plasma Surface-Enhanced Raman Spectroscopy

    Science.gov (United States)

    Chen, Y. X.; Chen, M. W.; Lin, J. Y.; Lai, W. Q.; Huang, W.; Chen, H. Y.; Weng, G. X.

    2016-11-01

    This study is intended to explore the potential of silver (Ag) nanoparticle-based plasma surface-enhanced Raman spectroscopy (SERS) for providing a rapid and simple "Yes/No" assessment to detect acute myocardial infarction (AMI). A simple, rapid, and accurate method of diagnosing AMI is critical to reduce mortality and improve prognosis. Techniques such as electrocardiography examination and use of cardiac troponins have not yet met the current clinical need. Therefore, alternative approaches need to be developed. Plasma samples from 32 patients with AMI and 32 healthy control (Clt) subjects were assessed. Multivariate statistical techniques, including principal component (PC) analysis and linear discriminant analysis (PCA-LDA), were employed to develop a diagnostic algorithm for differentiating between patients with AMI and Clt subjects. Furthermore, the receiver operating characteristic was tested to evaluate the performance of the PCA-LDA algorithm for AMI detection. Each plasma sample was mixed with an equal volume of Ag colloidal solution, and the SERS measurement of each plasma sample was performed. The plasma SERS spectrum showed much stronger and sharper peaks compared with the normal Raman spectrum. Tentative assignments of Raman spectroscopy bands showed specific biomolecular (e.g., proteins, adenosine, adenine, and uric acid) changes. PC analysis and LDA were employed to discriminate patients with AMI from Clt subjects, yielding a sensitivity of 87.5% and a specificity of 93.8%. The findings of this study suggest that plasma SERS has a great potential for improving AMI in the future, and this will certainly reduce the difficulty, time to draw blood, and patients' pain to a great extent.

  2. Low-frequency shift dispersive Raman spectroscopy for the analysis of respirable dosage forms.

    Science.gov (United States)

    Wang, Hui; Boraey, Mohammed A; Williams, Lisa; Lechuga-Ballesteros, David; Vehring, Reinhard

    2014-07-20

    A high performance Raman system equipped with a CCD (charged coupled device) sensor and recently developed optical filter technology is described. It provides high sensitivity, high resolution, and access to low-frequency vibrations enabling resolution of spectral features due to lattice vibrational modes and internal vibrational modes, greatly improving the ability to detect small changes due to variations in the three dimensional molecular arrangement, e.g., during loss of crystallinity. Applications to solid state analysis, such as solid phase identification and differentiation of glycopyrronium bromide and formoterol fumarate in pharmaceutical powders, and identification of active pharmaceutical ingredients, e.g., salmeterol xinafoate, fluticasone propionate, mometasone furoate, and salbutamol sulphate, as well as excipients, e.g., amino acids, in different formulations, are presented. For the first time, low-frequency shift Raman spectra of mannitol polymorphs were measured and used for solid phase identification. Unambiguous identification of two similar bronchodilator metered dose inhalers, Ventolin(®) HFA and Airomir(®), was accomplished. The low-frequency shift Raman signals can be used for the analysis of crystallinity of small samples (weight of the component of interest. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Raman scattering by phonons and crystal-field excitations in cerium hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Avisar, David [Nuclear Research Center, Negev, P.O. Box 9001, Beer- Sheva, 84190 Israel (Israel); Livneh, Tsachi, E-mail: T.Livneh@nrcn.org.i [Nuclear Research Center, Negev, P.O. Box 9001, Beer- Sheva, 84190 Israel (Israel)

    2010-04-02

    The effect of cerium hydrides (deutrides) stoichiometry, CeH(D){sub 2+x} (x = 0-0.90), on the vibrational and Ce{sup +3} crystal-field excitations was studied at room temperature by means of Raman scattering spectroscopy. The assignment of CeH{sub 2+x} vibrational Raman bands, with x < 0.6, are facilitated by the remarkable similarity of their frequencies to the previously measured inelastic neutron scattering (INS) frequencies for the corresponding LaH{sub 2+x}. Above x{approx}0.60 the INS and Raman spectra become increasingly different presumably due to the repulsive H-H interactions, which are also known to increase the magnitude of dispersion in optic-mode vibrations. The intensity of a band at {approx}810 cm{sup -1} relative to that of a band at {approx}710 cm{sup -1} decreases by an order of magnitude from x{approx}0.60 to x{approx}0.72 and remain practically constant up to x = 0.90. Since at room temperature the composition dependent structural tetragonal-cubic and electronic metal-semiconductor transitions occur at x{approx}0.60 and 0.7 < x < 0.8, respectively, the above spectral changes cannot be clearly assigned to either.

  4. Vision 20/20: the role of Raman spectroscopy in early stage cancer detection and feasibility for application in radiation therapy response assessment.

    Science.gov (United States)

    Devpura, Suneetha; Barton, Kenneth N; Brown, Stephen L; Palyvoda, Olena; Kalkanis, Steven; Naik, Vaman M; Siddiqui, Farzan; Naik, Ratna; Chetty, Indrin J

    2014-05-01

    Raman spectroscopy is an optical technique capable of identifying chemical constituents of a sample by their unique set of molecular vibrations. Research on the applicability of Raman spectroscopy in the differentiation of cancerous versus normal tissues has been ongoing for many years, and has yielded successful results in the context of prostate, breast, brain, skin, and head and neck cancers as well as pediatric tumors. Recently, much effort has been invested on developing noninvasive "Raman" probes to provide real-time diagnosis of potentially cancerous tumors. In this regard, it is feasible that the Raman technique might one day be used to provide rapid, minimally invasive real-time diagnosis of tumors in patients. Raman spectroscopy is relatively new to the field of radiation therapy. Recent work involving cell lines has shown that the Raman technique is able to identify proteins and other markers affected by radiation therapy. Although this work is preliminary, one could ask whether or not the Raman technique might be used to identify molecular markers that predict radiation response. This paper provides a brief review of Raman spectroscopic investigations in cancer detection, benefits and limitations of this method, advances in instrument development, and also preliminary studies related to the application of this technology in radiation therapy response assessment.

  5. Raman Spectroscopy.

    Science.gov (United States)

    Gerrard, Donald L.

    1984-01-01

    Reviews literature on Raman spectroscopy from late 1981 to late 1983. Topic areas include: instrumentation and sampling; liquids and solutions; gases and matrix isolation; biological molecules; polymers; high-temperature and high-pressure studies; Raman microscopy; thin films and surfaces; resonance-enhanced and surface-enhanced spectroscopy; and…

  6. Molecular structure, vibrational spectral analysis, NBO, HOMO-LUMO and conformational studies of ninhydrin

    Science.gov (United States)

    Arivazhagan, M.; Anitha Rexalin, D.

    2013-03-01

    The FT-IR and FT-Raman vibrational spectra of ninhydrin have been recorded in the range 4000-400 cm-1and 3600-50 cm-1, respectively. A detailed vibrational spectral analysis has been carried out and assignments of the observed fundamental bands have been proposed on the basis of peak positions and relative intensities. The optimized molecular geometry, vibrational frequencies, atomic charges, dipole moment, rotational constants and several thermodynamic parameters in the ground state are calculated using ab initio HF and density functional B3LYP methods with 6-311++G(d,p) basis set combination. In order to find the most optimized geometry, the energy calculations are carried out for various possible conformers. Keto and enol forms of ninhydrin are also studied. The condensed summary of the principal NBOs shows the occupancy, orbital energy and the qualitative pattern of delocalization interactions of ninhydrin. The calculated HOMO-LUMO energies reveal that charge transfer occurs within the molecule. The predicted first hyperpolarizability also shows that the ninhydrin molecule have good optical quality and nonlinear optical (NLO) behavior. With the help of specific scaling procedures, the observed vibrational wave numbers in FT-IR and FT-Raman spectra are analyzed and assigned to different normal modes of the molecule.

  7. Coherent coupling between a molecular vibration and Fabry-Perot optical cavity to give hybridized states in the strong coupling limit (Presentation Recording)

    Science.gov (United States)

    Long, James P.; Owrutsky, Jeff C.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Compton, Ryan; Spann, Bryan; Simpkins, Blake S.

    2015-09-01

    Coherent coupling between an optical-transition and confined optical mode, when sufficiently strong, gives rise to new modes separated by the vacuum Rabi splitting. Such systems have been investigated for electronic-state transitions, however, only very recently have vibrational transitions been considered. Here, we bring strong polaritonic-coupling in cavities from the visible into the infrared where a new range of static and dynamic vibrational processes await investigation. First, we experimentally and numerically describe coupling between a Fabry-Perot cavity and carbonyl stretch (~1730 cm 1) in poly-methylmethacrylate. As is requisite for "strong coupling", the measured vacuum Rabi splitting of 132 cm 1 is much larger than the full width of the cavity (34 cm-1) and the inhomogeneously broadened carbonyl-stretch (24 cm-1). Agreement with classical theories providea evidence that the mixed-states are relatively immune to inhomogeneous broadening. Next, we investigate strong and weak coupling regimes through examination of cavities loaded with varying concentrations of urethane. Rabi splittings increases from 0 to ~104 cm-1 with concentrations from 0-20 vol% and are in excellent agreement to an analytical description using no fitting parameters. Ultra-fast pump-probe measurements reveal transient absorption signals over a frequency range well-separated from the vibrational band as well as modifications of energy relaxation times. Finally, we demonstrate coupling to liquids using the C-O stretching band (~1985 cm-1) of Mo(CO)6 in an aqueous solution. Opening the field of polaritonic coupling to vibrational species promises to be a rich arena amenable to a wide variety of infrared-active bonds that can be studied statically and dynamically.

  8. Infrared dispersion analysis and Raman scattering spectra of taurine single crystals

    Science.gov (United States)

    Moreira, Roberto L.; Lobo, Ricardo P. S. M.; Dias, Anderson

    2018-01-01

    A comprehensive set of optical vibrational modes of monoclinic taurine crystals was determined by Raman scattering, and infrared reflectivity and transmission spectroscopies. By using appropriate scattering/reflection geometries, the vibrational modes were resolved by polarization and the most relevant modes of the crystal could be assigned. In particular, we were able to review the symmetry of the gerade modes and to resolve ambiguities in the literature. Owing to the non-orthogonal character of Bu modes in monoclinic crystals (lying on the optic axial plane), we carried out a generalized Lorentz dispersion analysis consisting of simultaneous adjust of infrared-reflectivity spectra at various light polarization angles. The Au modes (parallel to the C2-axis) were treated within the classical Lorentz model. The behavior of off-diagonal and diagonal terms of the complex dielectric tensors and the presence of anomalous dispersion were discussed as consequences of the low symmetry of the crystal.

  9. Vibrational spectroscopy and imaging: applications for tissue engineering.

    Science.gov (United States)

    Querido, William; Falcon, Jessica M; Kandel, Shital; Pleshko, Nancy

    2017-10-23

    Tissue engineering (TE) approaches strive to regenerate or replace an organ or tissue. The successful development and subsequent integration of a TE construct is contingent on a series of in vitro and in vivo events that result in an optimal construct for implantation. Current widely used methods for evaluation of constructs are incapable of providing an accurate compositional assessment without destruction of the construct. In this review, we discuss the contributions of vibrational spectroscopic assessment for evaluation of tissue engineered construct composition, both during development and post-implantation. Fourier transform infrared (FTIR) spectroscopy in the mid and near-infrared range, as well as Raman spectroscopy, are intrinsically label free, can be non-destructive, and provide specific information on the chemical composition of tissues. Overall, we examine the contribution that vibrational spectroscopy via fiber optics and imaging have to tissue engineering approaches.

  10. Improved assignments of the vibrational fundamental modes of ortho -, meta -, and para -xylene using gas- and liquid-phase infrared and Raman spectra combined with ab initio calculations: Quantitative gas-phase infrared spectra for detection

    Energy Technology Data Exchange (ETDEWEB)

    Lindenmaier, Rodica; Scharko, Nicole K.; Tonkyn, Russell G.; Nguyen, Kiet T.; Williams, Stephen D.; Johnson, Timothy J.

    2017-07-25

    Xylenes contain a blend of the ortho-, meta-, and para- isomers, and all are abundant contaminants in the ground, surface waters, and air. To better characterize xylene and to better enable its detection, we report high quality quantitative vapor-phase infrared spectra of all three isomers over the 540-6500 cm-1 range. All fundamental vibrational modes are assigned based on these vapor-phase infrared spectra, liquid-phase infrared and Raman spectra, along with density functional theory (DFT), ab initio MP2 and high energy-accuracy compound theoretical model (W1BD) calculations. Both MP2 and DFT predict a single conformer with C2v symmetry for ortho-xylene, and two conformers each for meta- and para-xylene, depending on the preferred orientations of the methyl groups. For meta-xylene the two conformers have Cs and C2 symmetry, and for para-xylene these conformers have C2v or C2h symmetry. Since the relative population of the two conformers is approximately 50% for both isomers and predicted frequencies and intensities are very similar for each conformer, we made an arbitrary choice to discuss the Cs conformer for meta-xylene and the C2v conformer for para-xylene. We report integrated band intensities for all isomers. Using the quantitative infrared data, we determine the global warming potential values of each isomer and discuss potential bands for atmospheric monitoring.

  11. Ultrafast Third-Order Nonlinear Optical Spectroscopy of Chlorinated Hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Napoleon Thantu; Robert S. Schley

    2003-09-01

    Time-resolved Raman induced Kerr effect spectroscopy in the optical heterodyne detection configuration has been employed to investigate intermolecular, intramolecular, and reorientational dynamics in neat trichloroethylene (TCE). The reorientation time constant is directly measured from the time-resolved data, while Fourier transformation of the time-resolved data yields the intermolecular and intramolecular vibrational spectrum. Use of ultrashort, femtosecond pulses enables excitation of depolarized Raman-active transitions between 1 and 500 cm-1. The intramolecular vibrations have been identified using a previous assignment. The limitations imposed by the laser and detector noise, and other nonlinear optical processes that are manifest at high pulse intensities, on the use of this time-domain technique for performing chemical species detection are discussed using carbon tetrachloride as an example.

  12. Development of a phase-sensitive Fourier domain optical coherence tomography system to measure mouse organ of Corti vibrations in two cochlear turns

    Energy Technology Data Exchange (ETDEWEB)

    Ramamoorthy, Sripriya [Oregon Hearing Research Center, Oregon Health & Science University, Portland, Oregon (United States); Zhang, Yuan; Jacques, Steven [Department of Biomedical Engineering, Oregon Health & Science University, Portland, Oregon (United States); Petrie, Tracy; Wang, Ruikang [Department of Bioengineering, University of Washington, Seattle, Washington (United States); Nuttall, Alfred L. [Oregon Hearing Research Center, Oregon Health & Science University, Portland, Oregon (United States); Kresge Hearing Research Institute, The University of Michigan, Ann Arbor, Michigan (United States)

    2015-12-31

    In this study, we have developed a phase-sensitive Fourier-domain optical coherence tomography system to simultaneously measure the in vivo inner ear vibrations in the hook area and second turn of the mouse cochlea. This technical development will enable measurement of intra-cochlear distortion products at ideal locations such as the distortion product generation site and reflection site. This information is necessary to un-mix the complex mixture of intra-cochlear waves comprising the DPOAE and thus leads to the non-invasive identification of the local region of cochlear damage.

  13. Absolute configuration of an axially chiral sulfonate determined from its optical rotatory dispersion, electronic circular dichroism, and vibrational circular dichroism spectra.

    Science.gov (United States)

    Covington, Cody L; Raghavan, Vijay; Smuts, Jonathan P; Armstrong, Daniel W; Polavarapu, Prasad L

    2017-11-01

    The absolute configuration (AC) of an axially chiral sulfonate (aCSO), 3,5-dimethyl-2-(naphthalen-1-yl)-6-(naphthalen-1-yl)benzenesulfonate (labeled as aCSO5), was investigated using optical rotatory dispersion (ORD), electronic circular dichroism (ECD), and vibrational circular dichroism (VCD) spectroscopies. All three methods led to the same conclusion and the AC of aCSO5 is reliably determined to be (-)-(aR, aR), or conversely (+)-(aS, aS). © 2017 Wiley Periodicals, Inc.

  14. Raman spectroscopic measurements of CO2 density: Experimental calibration with high-pressure optical cell (HPOC) and fused silica capillary capsule (FSCC) with application to fluid inclusion observations

    Science.gov (United States)

    Wang, X.; Chou, I-Ming; Hu, W.; Burruss, Robert; Sun, Q.; Song, Y.

    2011-01-01

    Raman spectroscopy is a powerful method for the determination of CO2 densities in fluid inclusions, especially for those with small size and/or low fluid density. The relationship between CO2 Fermi diad split (Δ, cm−1) and CO2 density (ρ, g/cm3) has been documented by several previous studies. However, significant discrepancies exist among these studies mainly because of inconsistent calibration procedures and lack of measurements for CO2fluids having densities between 0.21 and 0.75 g/cm3, where liquid and vapor phases coexist near room temperature.In this study, a high-pressure optical cell and fused silica capillary capsules were used to prepare pure CO2 samples with densities between 0.0472 and 1.0060 g/cm3. The measured CO2 Fermi diad splits were calibrated with two well established Raman bands of benzonitrile at 1192.6 and 1598.9 cm−1. The relationship between the CO2 Fermi diad split and density can be represented by: ρ = 47513.64243 − 1374.824414 × Δ + 13.25586152 × Δ2 − 0.04258891551 × Δ3(r2 = 0.99835, σ = 0.0253 g/cm3), and this relationship was tested by synthetic fluid inclusions and natural CO2-rich fluid inclusions. The effects of temperature and the presence of H2O and CH4 on this relationship were also examined.

  15. Development of a high-throughput solution for crystallinity measurement using THz-Raman spectroscopy

    Science.gov (United States)

    Roy, Anjan; Fosse, Jean-Charles; Fernandes, Filipe; Ringwald, Alexandre; Ho, Lawrence

    2017-02-01

    Rapid identification and the quantitative analysis of crystalline content and the degree of crystallinity is important in pharmaceuticals and polymer manufacturing. Crystallinity affects the bioavailability of pharmaceutical molecules and there is a strong correlation between the performance of polymers and their degree of crystallinity. Low frequency/THz-Raman spectroscopy has enabled determination of crystalline content in materials as a complementary method to X-ray powder diffraction. By incorporating motion stages and microplates, we have extended the applicability of THz-Raman technology to high-throughput screening applications. We describe here a complete THz-Raman microplate reader, with integrated laser, optics, spectrograph and software that are necessary for detecting low-frequency Raman signals. In powder materials scattering is also affected by particle size and the presence of cavities, which lead to a lack of precision and repeatability in Raman intensity measurements. We address this problem by spatial averaging using specific stage motion patterns. This design facilitates rapid and precise measurement of low-frequency vibrational modes, differentiation of polymorphs and other structural characteristics for applications in pharmaceuticals, nano- and bio-materials and for the characterization of industrial polymers where XRPD is commonly used.

  16. Raman spectroscopic imaging for in vivo detection of cerebral brain metastases.

    Science.gov (United States)

    Kirsch, Matthias; Schackert, Gabriele; Salzer, Reiner; Krafft, Christoph

    2010-10-01

    We report for the first time a proof-of-concept experiment employing Raman spectroscopy to detect intracerebral tumors in vivo by brain surface mapping. Raman spectroscopy is a non-destructive biophotonic method which probes molecular vibrations. It provides a specific fingerprint of the biochemical composition and structure of tissue without using any labels. Here, the Raman system was coupled to a fiber-optic probe. Metastatic brain tumors were induced by injection of murine melanoma cells into the carotid artery of mice, which led to subcortical and cortical tumor growth within 14 days. Before data acquisition, the cortex was exposed by creating a bony window covered by a calcium fluoride window. Spectral contributions were assigned to proteins, lipids, blood, water, bone, and melanin. Based on the spectral information, Raman images enabled the localization of cortical and subcortical tumor cell aggregates with accuracy of roughly 250 μm. This study demonstrates the prospects of Raman spectroscopy as an intravital tool to detect cerebral pathologies and opens the field for biophotonic imaging of the living brain. Future investigations aim to reduce the exposure time from minutes to seconds and improve the lateral resolution.

  17. Disulfide Chromophore and Its Optical Activity

    Czech Academy of Sciences Publication Activity Database

    Maloň, Petr; Bednárová, Lucie; Straka, Michal; Krejčí, Lucie; Kumprecht, Lukáš; Kraus, Tomáš; Kubáňová, M.; Baumruk, V.

    2010-01-01

    Roč. 22, 1E (2010), E47-E55 ISSN 0899-0042 R&D Projects: GA ČR(CZ) GA203/07/1335; GA ČR GA203/06/1550; GA ČR GA203/09/2037; GA ČR GAP208/10/0376; GA AV ČR IAA400550810 Institutional research plan: CEZ:AV0Z40550506 Keywords : disulfide chromophore * Raman optical activity * vibrational optical activity * circular dichroism Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.892, year: 2010

  18. Optical-microphysical properties of Saharan dust aerosols and composition relationship using a multi-wavelength Raman lidar, in situ sensors and modelling: a case study analysis

    Science.gov (United States)

    Papayannis, A.; Mamouri, R. E.; Amiridis, V.; Remoundaki, E.; Tsaknakis, G.; Kokkalis, P.; Veselovskii, I.; Kolgotin, A.; Nenes, A.; Fountoukis, C.

    2012-05-01

    A strong Saharan dust event that occurred over the city of Athens, Greece (37.9° N, 23.6° E) between 27 March and 3 April 2009 was followed by a synergy of three instruments: a 6-wavelength Raman lidar, a CIMEL sun-sky radiometer and the MODIS sensor. The BSC-DREAM model was used to forecast the dust event and to simulate the vertical profiles of the aerosol concentration. Due to mixture of dust particles with low clouds during most of the reported period, the dust event could be followed by the lidar only during the cloud-free day of 2 April 2009. The lidar data obtained were used to retrieve the vertical profile of the optical (extinction and backscatter coefficients) properties of aerosols in the troposphere. The aerosol optical depth (AOD) values derived from the CIMEL ranged from 0.33-0.91 (355 nm) to 0.18-0.60 (532 nm), while the lidar ratio (LR) values retrieved from the Raman lidar ranged within 75-100 sr (355 nm) and 45-75 sr (532 nm). Inside a selected dust layer region, between 1.8 and 3.5 km height, mean LR values were 83 ± 7 and 54 ± 7 sr, at 355 and 532 nm, respectively, while the Ångström-backscatter-related (ABR355/532) and Ångström-extinction-related (AER355/532) were found larger than 1 (1.17 ± 0.08 and 1.11 ± 0.02, respectively), indicating mixing of dust with other particles. Additionally, a retrieval technique representing dust as a mixture of spheres and spheroids was used to derive the mean aerosol microphysical properties (mean and effective radius, number, surface and volume density, and mean refractive index) inside the selected atmospheric layers. Thus, the mean value of the retrieved refractive index was found to be 1.49( ± 0.10) + 0.007( ± 0.007)i, and that of the effective radiuses was 0.30 ± 0.18 μm. The final data set of the aerosol optical and microphysical properties along with the water vapor profiles obtained by Raman lidar were incorporated into the ISORROPIA II model to provide a possible aerosol composition

  19. Mechanochemistry of single red blood cells monitored using Raman tweezers

    Science.gov (United States)

    Raj, Saurabh; Marro, Mónica; Wojdyla, Michal; Petrov, Dmitri

    2012-01-01

    Two microparticles were biochemically attached to a red blood cell at diametrically opposite parts and held by optical traps allowing to impose deformations. The cell deformation was monitored from the microscopy images. Raman spectra of the cell under tunable deformations were studied. Vibrational spectra analysis at different stretching states was supported with two statistical methods. Principal Component Analysis distinguishes the most prominent changes in spectra while 2D correlation technique monitors the evolution of Raman bands during stretching. The measurements show significant changes in the cell chemical structure with stretching however the changes saturate above 20% of cell deformation. Mechanical deformation of the cell mainly affects the bands corresponding to hemoglobin but contributions from spectrin and membrane proteins can not be excluded. The saturation of bands at higher deformations suggests some structural relaxation that RBC has to undergo to bear extra load. The results confirm widely accepted belief that spectrin released from membrane proteins allows for significant shape changes of the cells. We therefore tentatively suggest that interaction between membrane and cytoskeleton during deformation can be efficiently probed by confocal Raman spectroscopy, in particular via the peak around 1035 cm−1. PMID:22574263

  20. Implementation of a Coherent Anti-Stokes Raman Scattering (CARS) System on a Ti:Sapphire and OPO Laser Based Standard Laser Scanning Microscope.

    Science.gov (United States)

    Mytskaniuk, Vasyl; Bardin, Fabrice; Boukhaddaoui, Hassan; Rigneault, Herve; Tricaud, Nicolas

    2016-07-17

    Laser scanning microscopes combining a femtosecond Ti:sapphire laser and an optical parametric oscillator (OPO) to duplicate the laser line have become available for biologists. These systems are primarily designed for multi-channel two-photon fluorescence microscopy. However, without any modification, complementary non-linear optical microscopy such as second-harmonic generation (SHG) or third harmonic generation (THG) can also be performed with this set-up, allowing label-free imaging of structured molecules or aqueous medium-lipid interfaces. These techniques are well suited for in-vivo observation, but are limited in chemical specificity. Chemically selective imaging can be obtained from inherent vibration signals based on Raman scattering. Confocal Raman microscopy provides 3D spatial resolution, but it requires high average power and long acquisition time. To overcome these difficulties, recent advances in laser technology have permitted the development of nonlinear optical vibrational microscopy, in particular coherent anti-Stokes Raman scattering (CARS). CARS microscopy has therefore emerged as a powerful tool for biological and live cell imaging, by chemically mapping lipids (via C-H stretch vibration), water (via O-H stretch vibrations), proteins or DNA. In this work, we describe the implementation of the CARS technique on a standard OPO-coupled multiphoton laser scanning microscope. It is based on the in-time synchronization of the two laser lines by adjusting the length of one of the laser beam path. We present a step-by-step implementation of this technique on an existing multiphoton system. A basic background in experimental optics is helpful and the presented system does not require expensive supplementary equipment. We also illustrate CARS imaging obtained on myelin sheaths of sciatic nerve of rodent, and we show that this imaging can be performed simultaneously with other nonlinear optical imaging, such as standard two-photon fluorescence technique

  1. Vibrational spectra of CaGa2O4, Ca2GeO4, CaIn2O4 and CaSnO3 prepared by electrospinning

    Science.gov (United States)

    Zheng, H. L.; Zhang, Z. C.; Zhou, J. G.; Yang, S. S.; Zhao, J.

    2012-08-01

    CaGa2O4 nanofibers, Ca2GeO4 microfibers, CaIn2O4 nanorods, and CaSnO3 nanofibers were synthesized by using an electrospinning technique. Structures and morphologies of the as-synthesized oxides were characterized by X-ray diffraction and scanning electron microscopy, respectively. Raman and infrared spectra were also recorded and analyzed at room temperature. More significantly, nuclear site group analysis was carried out and the number of normal vibrational modes, Raman-active, and infrared-active optical phonon modes were obtained by theoretical calculation. Finally, vibrational assignments of the observed Raman peaks and infrared absorption bands were given based on the group theoretical analysis and experimental data from literature.

  2. Laser geodynamic satellite thermal/optical/vibrational analyses and testing, volume 2, book 1 technical report. [retroreflector performance

    Science.gov (United States)

    1975-01-01

    The results are presented of a retroreflector performance improvement program. The following areas of the program are discussed: retroreflector dimensional verification, initial optical performance analysis, LAGEOS test retroreflector rework, final optical performance analysis, optical performance tests, evaluations and conclusions, and laser wavelength evaluation and dihedral angle selection. Data tables, diagrams, graphs, and photographs are included.

  3. In-vivo spinal nerve sensing in MISS using Raman spectroscopy

    Science.gov (United States)

    Chen, Hao; Xu, Weiliang; Broderick, Neil

    2016-04-01

    In modern Minimally Invasive Spine Surgery (MISS), lack of visualization and haptic feedback information are the main obstacles. The spinal cord is a part of the central nervous system (CNS). It is a continuation of the brain stem, carries motor and sensory messages between CNS and the rest of body, and mediates numerous spinal reflexes. Spinal cord and spinal nerves are of great importance but vulnerable, once injured it may result in severe consequences to patients, e.g. paralysis. Raman Spectroscopy has been proved to be an effective and powerful tool in biological and biomedical applications as it works in a rapid, non-invasive and label-free way. It can provide molecular vibrational features of tissue samples and reflect content and proportion of protein, nucleic acids lipids etc. Due to the distinct chemical compositions spinal nerves have, we proposed that spinal nerves can be identified from other types of tissues by using Raman spectroscopy. Ex vivo experiments were first done on samples taken from swine backbones. Comparative spectral data of swine spinal cord, spinal nerves and adjacent tissues (i.e. membrane layer of the spinal cord, muscle, bone and fatty tissue) are obtained by a Raman micro-spectroscopic system and the peak assignment is done. Then the average spectra of all categories of samples are averaged and normalized to the same scale to see the difference against each other. The results verified the feasibility of spinal cord and spinal nerves identification by using Raman spectroscopy. Besides, a fiber-optic Raman sensing system including a miniature Raman sensor for future study is also introduced. This Raman sensor can be embedded into surgical tools for MISS.

  4. Determination of diffusion coefficients of carbon dioxide in water between 268 and 473 K in a high-pressure capillary optical cell with in situ Raman spectroscopic measurements

    Science.gov (United States)

    Lu, Wanjun; Guo, Huirong; Chou, I.-Ming; Burruss, R.C.; Li, Lanlan

    2013-01-01

    Accurate values of diffusion coefficients for carbon dioxide in water and brine at reservoir conditions are essential to our understanding of transport behavior of carbon dioxide in subsurface pore space. However, the experimental data are limited to conditions at low temperatures and pressures. In this study, diffusive transfer of carbon dioxide in water at pressures up to 45 MPa and temperatures from 268 to 473 K was observed within an optical capillary cell via time-dependent Raman spectroscopy. Diffusion coefficients were estimated by the least-squares method for the measured variations in carbon dioxide concentration in the cell at various sample positions and time. At the constant pressure of 20 MPa, the measured diffusion coefficients of carbon dioxide in water increase with increasing temperature from 268 to 473 K. The relationship between diffusion coefficient of carbon dioxide in water [D(CO2) in m2/s] and temperature (T in K) was derived with Speedy–Angell power-law approach as: D(CO2)=D0[T/Ts-1]m where D0 = 13.942 × 10−9 m2/s, Ts = 227.0 K, and m = 1.7094. At constant temperature, diffusion coefficients of carbon dioxide in water decrease with pressure increase. However, this pressure effect is rather small (within a few percent).

  5. The development of methods of analysis of documents on the basis of the methods of Raman spectroscopy and fluorescence analysis

    Science.gov (United States)

    Gorshkova, Kseniia O.; Tumkin, Ilya I.; Kirillova, Elizaveta O.; Panov, Maxim S.; Kochemirovsky, Vladimir A.

    2017-05-01

    The investigation of natural aging of writing inks printed on paper using Raman spectroscopy was performed. Based on the obtained dependencies of the Raman peak intensities ratios on the exposure time, the dye degradation model was proposed. It was suggested that there are several competing bond breaking and bond forming reactions corresponding to the characteristic vibration frequencies of the dye molecule that simultaneously occur during ink aging process. Also we propose a methodology based on the study of the optical properties of paper, particularly changes in the fluorescence of optical brighteners included in its composition as well as the paper reflectivity using spectrophotometric methods. These results can be implemented to develop the novel and promising method of criminology.

  6. Miniature standoff Raman probe for neurosurgical applications

    Science.gov (United States)

    Stevens, Oliver A. C.; Hutchings, Joanne; Gray, William; Vincent, Rosa Louise; Day, John C.

    2016-08-01

    Removal of intrinsic brain tumors is a delicate process, where a high degree of specificity is required to remove all of the tumor tissue without damaging healthy brain. The accuracy of this process can be greatly enhanced by intraoperative guidance. Optical biopsies using Raman spectroscopy are a minimally invasive and lower-cost alternative to current guidance methods. A miniature Raman probe for performing optical biopsies of human brain tissue is presented. The probe allows sampling inside a conventional stereotactic brain biopsy system: a needle of length 200 mm and inner diameter of 1.8 mm. By employing a miniature stand-off Raman design, the probe removes the need for any additional components to be inserted into the brain. Additionally, the probe achieves a very low internal silica background while maintaining good collection of Raman signal. To illustrate this, the probe is compared with a Raman probe that uses a pair of optical fibers for collection. The miniature stand-off Raman probe is shown to collect a comparable number of Raman scattered photons, but the Raman signal to background ratio is improved by a factor of five at Raman shifts below ˜500 cm-1. The probe's suitability for use on tissue is demonstrated by discriminating between different types of healthy porcine brain tissue.

  7. Page 1 RAMAN AND INFRARED SPECTRA OF ETHYLENE GLY ...

    Indian Academy of Sciences (India)

    17 infrared maxima in the liquid State and 20 Raman lines in the solid state have been reported. Detailed vibrational assignments have been given. Two strong polarised Raman lines of the liquid which have no correspond- ing infrared absorption bands, and which disappear on Solidification, have been attributed to the ...

  8. Raman scattering study of phonons in Bi-based superconductor thin films

    Energy Technology Data Exchange (ETDEWEB)

    Mejia-Garcia, C. [Escuela Superior de Fisica y Matematicas, IPN, Edif. 9 UPALM, Av. Politecnico sn, Mexico 07738 DF (Mexico)]. E-mail: cmejia@esfm.ipn.mx; Diaz-Valdes, E. [Escuela Superior de Fisica y Matematicas, IPN, Edif. 9 UPALM, Av. Politecnico sn, Mexico 07738 DF (Mexico); Contreras-Puente, G. [Escuela Superior de Fisica y Matematicas, IPN, Edif. 9 UPALM, Av. Politecnico sn, Mexico 07738 DF (Mexico); Lopez-Lopez, J.L. [Departamento de Matematica Educativa, CINVESTAV, IPN, A.P. 14-740, Mexico 07300 DF (Mexico); Jergel, M. [Departamento de Fisica, CINVESTAV, IPN, A.P. 14-740, Mexico 07300 DF (Mexico); Morales, A. [Departamento de Fisica, CINVESTAV, IPN, A.P. 14-740, Mexico 07300 DF (Mexico)

    2004-11-15

    Raman spectra were obtained from samples of Bi-Pb-Sr-Ca-Cu-O (BPSCCO) thin films after varying several growth parameters, such as covering material, annealing time (t{sub R}), annealing temperature (T{sub R}), and nominal lead content (x). Thin films with the nominal composition Bi{sub 1.4}Pb{sub x}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub {delta}} were grown on MgO substrates by a spray pyrolysis technique, followed by a solid state reaction. The results of Raman scattering measurements at room temperature show a series of vibrational optical modes within the range 300-900 cm{sup -1}. The assignment of these modes was made by involving mainly the 2212 and 2223 phases and was confirmed by both X-ray diffraction and resistance in dependence of the temperature (R-T) measurements as well.

  9. FT-IR, FT-Raman and Computational Study of Ethyl Methyl Ketone Semicarbazone

    Directory of Open Access Journals (Sweden)

    P. S. Binil

    2011-01-01

    Full Text Available FT-IR and FT-Raman spectra of ethyl methyl ketone semicarbazone were recorded and analyzed. The vibrational wavenumbers were computed using HF/6-31G*, B3PW91/6-31G* and B3LYP/6-31G* basis and compared with experimental data. The first hyperpolarizability, infrared intensities and Raman activities are reported. The calculated first hyperpolarizability is comparable with the reported values of similar derivatives and is an attractive object for future studies of non-linear optics. The extended π-electron delocalization over the carbazone moiety is responsible for the nonlinearity of the molecule. The geometrical parameters of the title compound are in agreement with that of similar derivatives. The red shift of the NH stretching wavenumber in the infrared spectrum from the computed wavenumber indicates the weakening of the NH bond resulting in proton transfer to the neighboring oxygen atom.

  10. Coherent Anti-Stokes Raman Scattering Spectroscopy of Single Molecules in Solution

    Energy Technology Data Exchange (ETDEWEB)

    Sunney Xie, Wei Min, Chris Freudiger, Sijia Lu

    2012-01-18

    During this funding period, we have developed two breakthrough techniques. The first is stimulated Raman scattering microscopy, providing label-free chemical contrast for chemical and biomedical imaging based on vibrational spectroscopy. Spontaneous Raman microscopy provides specific vibrational signatures of chemical bonds, but is often hindered by low sensitivity. We developed a three-dimensional multiphoton vibrational imaging technique based on stimulated Raman scattering (SRS). The sensitivity of SRS imaging is significantly greater than that of spontaneous Raman microscopy, which is achieved by implementing high-frequency (megahertz) phase-sensitive detection. SRS microscopy has a major advantage over previous coherent Raman techniques in that it offers background-free and readily interpretable chemical contrast. We demonstrated a variety of biomedical applications, such as differentiating distributions of omega-3 fatty acids and saturated lipids in living cells, imaging of brain and skin tissues based on intrinsic lipid contrast, and monitoring drug delivery through the epidermis. This technology offers exciting prospect for medical imaging. The second technology we developed is stimulated emission microscopy. Many chromophores, such as haemoglobin and cytochromes, absorb but have undetectable fluorescence because the spontaneous emission is dominated by their fast non-radiative decay. Yet the detection of their absorption is difficult under a microscope. We use stimulated emission, which competes effectively with the nonradiative decay, to make the chromophores detectable, as a new contrast mechanism for optical microscopy. We demonstrate a variety of applications of stimulated emission microscopy, such as visualizing chromoproteins, non-fluorescent variants of the green fluorescent protein, monitoring lacZ gene expression with a chromogenic reporter, mapping transdermal drug distribu- tions without histological sectioning, and label-free microvascular

  11. Slow light based on stimulated Raman scattering in an integrated liquid-core optical fiber filled with CS2.

    Science.gov (United States)

    Herrera, Oscar D; Schneebeli, L; Kieu, K; Norwood, R A; Peyghambarian, N

    2013-04-08

    We demonstrate a fiber-based slow light system using a carbon disulfide (CS2)) filled integrated liquid-core optical fiber (i-LCOF). Using 1 meter of i-LCOF we were able to delay 18ps pulses up to 34ps; a delay of 188% of the pulse width. This experimental setup serves as a foundation for slow-light experiments in other nonlinear liquids. Numerical simulations of pulse-propagation equations confirmed the observed delay and a simplified method is presented that can be applied to calculate induced delay for non-cw Stokes pulses. The system is all-fiber and compact with delays greater than a pulse width, indicating potential application as an ultrafast controllable delay line for time division multiplexing in multiGb/s telecommunication systems.

  12. Disposable sheath that facilitates endoscopic Raman spectroscopy

    Science.gov (United States)

    Wang, Wenbo; Short, Michael; Tai, Isabella T.; Zeng, Haishan

    2016-02-01

    In vivo endoscopic Raman spectroscopy of human tissue using a fiber optic probe has been previously demonstrated. However, there remain several technical challenges, such as a robust control over the laser radiation dose and measurement repeatability during endoscopy. A decrease in the signal to noise was also observed due to aging of Raman probe after repeated cycles of harsh reprocessing procedures. To address these issues, we designed and tested a disposable, biocompatible, and sterile sheath for use with a fiber optic endoscopic Raman probe. The sheath effectively controls contamination of Raman probes between procedures, greatly reduces turnaround time, and slows down the aging of the Raman probes. A small optical window fitted at the sheath cap maintained the measurement distance between Raman probe end and tissue surface. To ensure that the sheath caused a minimal amount of fluorescence and Raman interference, the optical properties of materials for the sheath, optical window, and bonding agent were studied. The easy-to-use sheath can be manufactured at a moderate cost. The sheath strictly enforced a maximum permissible exposure standard of the tissue by the laser and reduced the spectral variability by 1.5 to 8.5 times within the spectral measurement range.

  13. Theoretical study of NMR, infrared and Raman spectra on triple-decker phthalocyanines

    Energy Technology Data Exchange (ETDEWEB)

    Suzuki, Atsushi; Oku, Takeo [Department of Materials Science, The University of Shiga Prefecture 2500 Hassaka, Hikone, Shiga, 522-8533 (Japan)

    2016-02-01

    Electronic structures and magnetic properties of multi-decker phthalocyanines were studied by theoretical calculation. Electronic structures, excited processes at multi-states, isotropic chemical shifts of {sup 13}C, {sup 14}N and {sup 1}H-nuclear magnetic resonance (NMR), principle V-tensor in electronic field gradient (EFG) tensor and asymmetry parameters (η), vibration mode in infrared (IR) and Raman spectra of triple-decker phthalocyanines were calculated by density functional theory (DFT) and time-dependent DFT using B3LYP as basis function. Electron density distribution was delocalized on the phthalocyanine rings with electron static potential. Considerable separation of chemical shifts in {sup 13}C, {sup 14}N and {sup 1}H-NMR was originated from nuclear spin interaction between nitrogen and carbon atoms, nuclear quadrupole interaction based on EFG and η of central metal under crystal field. Calculated optical absorption at multi-excited process was derived from overlapping π-orbital on the phthalocyanine rings. The vibration modes in IR and Raman spectra were based on in-plane deformation and stretching vibrations of metal-ligand coordination bond on the deformed structure.

  14. 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.

  15. Basic principles of ultrafast Raman loss spectroscopy

    Indian Academy of Sciences (India)

    Loss features. (anti-Stokes side). Extracted Raman spectrum. Figure 6. Schematic diagram of SRGS and URLS. by broadband WL continuum which contains several frequency components. This results in the simultane- ous excitation of a large number of vibrational modes in the system. If the WL continuum contains frequen ...

  16. Franck-Condon simulation of vibrationally resolved optical spectra for zinc complexes of phthalocyanine and tetrabenzoporphyrin including the Duschinsky and Herzberg-Teller effects.

    Science.gov (United States)

    Guo, Meiyuan; He, Rongxing; Dai, Yulan; Shen, Wei; Li, Ming; Zhu, Chaoyuan; Lin, Sheng Hsien

    2012-04-14

    High resolved absorption and fluorescence spectra of zinc complexes of phthalocyanine (ZnPc) and tetrabenzoporphyrin (ZnTBP) in the region of Q states were reported. Few theoretical investigations were performed to simulate the well-resolved spectra and assigned the vibrational bands of the large molecules, especially for high symmetrical characteristic molecules, on account of the difficulties to optimize the excited states and analyze a large number of final vibrational-normal modes. In the present work, the S(0) ↔ S(1) absorption and fluorescence spectra (that is, the Q band) of ZnPc and ZnTBP were simulated using time-dependent density functional theory with the inclusions of Duschinsky and Herzberg-Teller contributions to the electronic transition dipole moments. The theoretical results provide a good description of the optical spectra and are proved to be in excellent agreement with experimental spectra in inert-gas matrices or in supersonic expansion. This study focused attentions on the optical spectral similarities and contrasts between ZnPc and ZnTBP, in particular the noticeable Duschinsky and Herzberg-Teller effects on the high-resolved absorption and fluorescence spectra were considered. Substitution of meso-tetraaza on the porphyrin macrocycle framework could affect the ground state geometry and alter the electron density distributions, the orbital energies that accessible in the Q band region of the spectrum. The results were used to help interpret both the nature of the electronic transitions in Q band region, and the spectral discrepancies between phthalocyanine and porphyrin systems.

  17. Label-free analysis of tenofovir delivery to vaginal tissue using co-registered confocal Raman spectroscopy and optical coherence tomography.

    Directory of Open Access Journals (Sweden)

    Oranat Chuchuen

    Full Text Available Vaginally applied microbicide products offer a female-controlled strategy for preventing sexual transmission of HIV. Microbicide transport processes are central to their functioning, and there is a clear need for a better understanding of them. To contribute to that end, we developed an assay to analyze mass transport rates of microbicide molecules within the epithelial and stromal layers of polarized vaginal mucosal tissue during contact with a gel vehicle. The assay utilizes a new diffusion chamber mounted in a custom instrument that combines confocal Raman spectroscopy and optical coherence tomography. This measures depth-resolved microbicide concentration distributions within epithelium and stroma. Data for a tenofovir gel were fitted with a compartmental diffusion model to obtain fundamental transport properties: the molecular diffusion and partition coefficients in different compartments. Diffusion coefficients in epithelium and stroma were computed to be 6.10 ± 2.12 x 10-8 and 4.52 ± 1.86 x 10-7 cm2/sec, respectively. The partition coefficients between epithelium and gel and between stroma and epithelium were found to be 0.53 ± 0.15 and 1.17 ± 0.16, respectively. These drug transport parameters are salient in governing the drug delivery performance of different drug and gel vehicle systems. They can be used to contrast drugs and vehicles during product design, development and screening. They are critical inputs to deterministic transport models that predict the gels' pharmacokinetic performance, which can guide improved design of products and optimization of their dosing regimens.

  18. Optical Absorption of Impurities and Defects in Semiconducting Crystals Electronic Absorption of Deep Centres and Vibrational Spectra

    CERN Document Server

    Pajot, Bernard

    2013-01-01

    This book outlines, with the help of several specific examples, the important role played by absorption spectroscopy in the investigation of deep-level centers introduced in semiconductors and insulators like diamond, silicon, germanium and gallium arsenide by high-energy irradiation, residual impurities, and defects produced during crystal growth. It also describes the crucial role played by vibrational spectroscopy to determine the atomic structure and symmetry of complexes associated with light impurities like hydrogen, carbon, nitrogen and oxygen, and as a tool for quantitative analysis of these elements in the materials.

  19. Raman spectroscopic investigation of the chemopreventive response of naringenin and its nanoparticles in DMBA-induced oral carcinogenesis

    Science.gov (United States)

    Krishnakumar, N.; Sulfikkarali, N. K.; Manoharan, S.; Venkatachalam, P.

    2013-11-01

    Raman spectroscopy is a vibrational spectroscopic technique that can be used to optically probe the biomolecular changes associated with tumor progression. The aim of the present study is to investigate the biomolecular changes in chemopreventive response of prepared naringenin-loaded nanoparticles (NARNPs) relative to efficacy of free naringenin (NAR) during 7,12-dimethyl benz(a)anthracene (DMBA)-induced oral carcinogenesis by Fourier Transform Raman (FT-Raman) spectroscopy. Oral squamous cell carcinoma (OSCC) was developed in the buccal pouch of golden Syrian hamsters by painting with 0.5% DMBA in liquid paraffin three times a week for 14 weeks. Raman spectra differed significantly between the control and tumor tissues, with tumors showing higher percentage signals for nucleic acids, phenylalanine and tryptophan and a lower in the percentage of phospholipids. Moreover, oral administration of free NAR and NARNPs significantly increased phospholipids and decreased the levels of tryptophan, phenylalanine and nucleic acid contents. On a comparative basis, NARNPs was found to have a more potent antitumor effect than free NAR in completely preventing the formation of squamous cell carcinoma and in improving the biochemical status to a normal range in DMBA-induced oral carcinogenesis. The present study further suggest that Raman spectroscopy could be a valuable tool for rapid and sensitive detection of specific biomolecular changes in response to chemopreventive agents.

  20. 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.

  1. Vibrational study, first hyperpolarizability and HOMO-LUMO analyses on the structure of 2-hydroxy-6-nitro toluene

    Science.gov (United States)

    Arivazhagan, M.; Thilagavathi, G.

    2012-06-01

    Vibrational spectral measurements, namely, FT-infrared (4000-400 cm-1) and FT-Raman (3500-50 cm-1) spectra have been made for 2-hydroxy-6-nitrotoluene (HNT) and assigned to different normal modes of the molecule. Quantum chemical calculations of energies, geometrical structure, harmonic vibrational frequencies intensities and vibrational wavenumbers of HNT were carried out by ab initio HF and density functional theory (DFT/B3LYP) method with 6-311++G(d,p) basis set. The differences between the observed and scaled wave number values of most of the fundamentals are very small. The values of the total dipole moment (μ) and first hyperpolarizability (β) of the investigated molecule were computed by using ab initio HF and density functional theory (DFT/B3LYP) methods with 6-311++G(d,p) basis set quantum mechanical calculations. The calculated results also show that the HNT molecule might have microscopic nonlinear optical (NLO) behavior with non-zero values. A detailed interpretation of the infrared and Raman spectra of HNT is also reported based on total energy distribution (TED). The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The results of the calculations were applied to simulated infrared and Raman spectra of the title compound which showed excellent agreement with the observed spectra.

  2. Elaboration and optimization of tellurite-based materials for raman gain application

    Science.gov (United States)

    Guery, Guillaume

    Tellurite-based oxide glasses have been investigated as promising materials for Raman gain applications, due to their good linear and nonlinear optical properties and their wide transparency windows in the near- and midwave infrared spectral region. Furthermore, their interesting thermal properties, i.e. low glass transition temperature and ability to be drawn into optical fibers, make tellurite-based glasses excellent candidates for optical fiber amplifiers. The estimation of the strength and spectral distribution of Raman gain in materials is commonly approximated from the spontaneous Raman scattering cross-section measurement. For development of tellurite-based glasses as Raman amplifiers, understanding the relationship between glass structure, vibrational response, and nonlinear optical properties (NLO) represents a key point. This dissertation provides an answer to the fundamental question of the PhD study: "What is the impact of the glass structure on Raman gain properties of tellurite glasses?" This dissertation summarizes findings on different tellurite-based glass families: the TeO2-TaO5/2-ZnO, TeO2-BiO 3/2-ZnO and TeO2-NbO5/2 glass networks. The influence of glass modifiers has been shown on the glass' properties. Introduction of tantalum oxide or zinc oxide has been shown to increase the glass' stability against crystallization, quantified by DeltaT, where DeltaT = Tx -Tg. Added to the variation of the glass viscosity, this attribute is critical in fabricating optical fibers and for the use of these materials in fiber-based Raman gain applications. The role of ZnO in the tellurite network and the mechanism for structural modification has been determined. This addition results in not only the largest DeltaT reported for these highly nonlinear glasses to date, but coincides with a commensurate decrease of the refractive index. A hydroxyl purification has been developed that when employed, resulted in high purity preform materials exhibiting a limited

  3. Confined Acoustic Phonons in Colloidal Nanorod Heterostructures Investigated by Nonresonant Raman Spectroscopy and Finite Elements Simulations.

    Science.gov (United States)

    Miscuglio, Mario; Lin, Miao-Ling; Di Stasio, Francesco; Tan, Ping-Heng; Krahne, Roman

    2016-12-14

    Lattice vibrational modes in cadmium chalcogenide nanocrystals (NCs) have a strong impact on the carrier dynamics of excitons in such confined systems and on the optical properties of these nanomaterials. A prominent material for light emitting applications are CdSe/CdS core-shell dot-in-rods. Here we present a detailed investigation of the acoustic phonon modes in such dot-in-rods by nonresonant Raman spectroscopy with laser excitation energy lower than their bandgap. With high signal-to-noise ratio in the frequency range from 5-50 cm -1 , we reveal distinct Raman bands that can be related to confined extensional and radial-breathing modes (RBM). Comparison of the experimental results with finite elements simulation and analytical analysis gives detailed insight into the localized nature of the acoustic vibration modes and their resonant frequencies. In particular, the RBM of dot-in-rods cannot be understood by an oscillation of a CdSe sphere embedded in a CdS rod matrix. Instead, the dot-in-rod architecture leads to a reduction of the sound velocity in the core region of the rod, which results in a redshift of the rod RBM frequency and localization of the phonon induced strain in vicinity of the core where optical transitions occur. Such localized effects potentially can be exploited as a tool to tune exciton-phonon coupling in nanocrystal heterostructures.

  4. Raman Spectra and Dynamics of Thiocyanate Ion in Poly(Vinyl Alcohol)-KSCN Films

    Science.gov (United States)

    Gafurov, M. M.; Rabadanov, K. Sh.; Shabanov, N. S.; Tretinnikov, O. N.; Amirov, A. M.; Gadjimagomedov, S. Kh.

    2017-11-01

    Raman spectra of poly(vinyl alcohol)-potassium-thiocyanate films are studied. Parameters of vibrational and orientational relaxation of thiocyanate ion in the polymer matrix are determined. The character and rate of vibrational dephasing become identical to SCN- vibrations in aqueous solution at salt concentrations ≥0.3 M.

  5. Modeling Raman scattering in porous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Cruz, Miguel [Seccion de Estudios de Posgrado, ESIME-Culhuacan, IPN, Av. Santa Ana 1000, 04430, Mexico, D.F. (Mexico); Wang, Chumin [Instituto de Investigaciones en Materiales, UNAM, A.P. 70-360, 04510, Mexico, D.F. (Mexico)

    2005-06-01

    In this work, we model the Raman scattering by phonons using the Born potential and the Green's function formalism, which takes into account the long-range correlation of atomic vibrations. The porous silicon is viewed as a sponge, in which periodical column pores are dug in direction [001] from crystalline silicon, i.e., a supercell model is used to calculate the Raman response. The results show that the main Raman peak shifts to lower energies when the porosity increases, and for square pores it asymptotically approaches to a limit value of 475 cm{sup -1}. Finally, the supercell results are compared with the quantum wire model, in which the main Raman peaks move to higher energies as the width of the wires grows. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Vibrational spectroscopic studies and computational study of ethyl methyl ketone thiosemicarbazone

    Science.gov (United States)

    Anoop, M. R.; Binil, P. S.; Suma, S.; Sudarsanakumar, M. R.; Y, Sheena Mary.; Varghese, Hema Tresa; Panicker, C. Yohannan

    2010-04-01

    FT-IR and FT-Raman spectra of ethyl methyl ketone thiosemicarbazone were recorded and analyzed. The crystal structure is also described. The vibrational wavenumbers were computed using HF/6-31G(d) and B3LYP/6-31G(d) basis sets and are assigned with the aid of MOLEKEL program. The first hyperpolarizability, infrared intensities and Raman activities are also reported. The calculated first hyperpolarizability is comparable with the reported values of similar derivatives and is an attractive molecule for future applications in non-linear optics. The geometrical parameters of the title compound obtained from XRD studies are in agreement with the calculated values. The red shift of the NH stretching wavenumber in the infrared spectrum compared to the computed wavenumber indicates the weakening of the N-H bond resulting in proton transfer to the neighbouring sulfur atom.

  7. An Empirical Study on Raman Peak Fitting and Its Application to Raman Quantitative Research.

    Science.gov (United States)

    Yuan, Xueyin; Mayanovic, Robert A

    2017-10-01

    Fitting experimentally measured Raman bands with theoretical model profiles is the basic operation for numerical determination of Raman peak parameters. In order to investigate the effects of peak modeling using various algorithms on peak fitting results, the representative Raman bands of mineral crystals, glass, fluids as well as the emission lines from a fluorescent lamp, some of which were measured under ambient light whereas others under elevated pressure and temperature conditions, were fitted using Gaussian, Lorentzian, Gaussian-Lorentzian, Voigtian, Pearson type IV, and beta profiles. From the fitting results of the Raman bands investigated in this study, the fitted peak position, intensity, area and full width at half-maximum (FWHM) values of the measured Raman bands can vary significantly depending upon which peak profile function is used in the fitting, and the most appropriate fitting profile should be selected depending upon the nature of the Raman bands. Specifically, the symmetric Raman bands of mineral crystals and non-aqueous fluids are best fit using Gaussian-Lorentzian or Voigtian profiles, whereas the asymmetric Raman bands are best fit using Pearson type IV profiles. The asymmetric O-H stretching vibrations of H2O and the Raman bands of soda-lime glass are best fit using several Gaussian profiles, whereas the emission lines from a florescent light are best fit using beta profiles. Multiple peaks that are not clearly separated can be fit simultaneously, provided the residuals in the fitting of one peak will not affect the fitting of the remaining peaks to a significant degree. Once the resolution of the Raman spectrometer has been properly accounted for, our findings show that the precision in peak position and intensity can be improved significantly by fitting the measured Raman peaks with appropriate profiles. Nevertheless, significant errors in peak position and intensity were still observed in the results from fitting of weak and wide Raman

  8. Vibrational modes and Structure of Niobium(V) Oxosulfato Complexes in the Molten Nb2O5-K2S2O7-K2SO4 System Studied by Raman Spectroscopy

    DEFF Research Database (Denmark)

    Paulsen, Andreas L.; Borup, Flemming; Berg, Rolf W.

    2010-01-01

    coefficient, n, pointing to n = 3 and to the following reaction: Nb2O5 + 3S2O7 --> 2NbO(SO4)3, which is consistent with the Raman spectra of the molten mixtures. Nb2O5 could be dissolved much easier when K2SO4 was present in an equimolar (1:1) SO4/Nb ratio; the incremental presence of K2SO4 in Nb2O5-K2S2O7...... melts induces composition effects in the Raman spectra that terminate when n(SO4)/n(Nb) = 1. The composition effects and the temperature-dependent features of the Raman spectra obtained for Nb2O5-K2S2O7-K2SO4 molten mixtures together with the spectral changes occurring upon freezing are accounted...

  9. Profiling of Saharan dust from the Caribbean to western Africa - Part 1: Layering structures and optical properties from shipborne polarization/Raman lidar observations

    Science.gov (United States)

    Rittmeister, Franziska; Ansmann, Albert; Engelmann, Ronny; Skupin, Annett; Baars, Holger; Kanitz, Thomas; Kinne, Stefan

    2017-11-01

    We present final and quality-assured results of multiwavelength polarization/Raman lidar observations of the Saharan air layer (SAL) over the tropical Atlantic. Observations were performed aboard the German research vessel R/V Meteor during the 1-month transatlantic cruise from Guadeloupe to Cabo Verde over 4500 km from 61.5 to 20° W at 14-15° N in April-May 2013. First results of the shipborne lidar measurements, conducted in the framework of SALTRACE (Saharan Aerosol Long-range Transport and Aerosol-Cloud Interaction Experiment), were reported by Kanitz et al.(2014). Here, we present four observational cases representing key stages of the SAL evolution between Africa and the Caribbean in detail in terms of layering structures and optical properties of the mixture of predominantly dust and aged smoke in the SAL. We discuss to what extent the lidar results confirm the validity of the SAL conceptual model which describes the dust long-range transport and removal processes over the tropical Atlantic. Our observations of a clean marine aerosol layer (MAL, layer from the surface to the SAL base) confirm the conceptual model and suggest that the removal of dust from the MAL, below the SAL, is very efficient. However, the removal of dust from the SAL assumed in the conceptual model to be caused by gravitational settling in combination with large-scale subsidence is weaker than expected. To explain the observed homogenous (height-independent) dust optical properties from the SAL base to the SAL top, from the African coast to the Caribbean, we have to assume that the particle sedimentation strength is reduced and dust vertical mixing and upward transport mechanisms must be active in the SAL. Based on lidar observations on 20 nights at different longitudes in May 2013, we found, on average, MAL and SAL layer mean values (at 532 nm) of the extinction-to-backscatter ratio (lidar ratio) of 17±5 sr (MAL) and 43±8 sr (SAL), of the particle linear depolarization ratio of 0

  10. The CU 2-D-MAX-DOAS instrument – Part 2: Raman scattering probability measurements and retrieval of aerosol optical properties

    Energy Technology Data Exchange (ETDEWEB)

    Ortega, Ivan; Coburn, Sean; Berg, Larry K.; Lantz, Kathy; Michalsky, Joseph; Ferrare, Richard A.; Hair, Johnathan W.; Hostetler, Chris A.; Volkamer, Rainer

    2016-01-01

    The multiannual global mean of aerosol optical depth at 550 nm (AOD550) over land is ~0.19, and that over oceans is ~0.13. About 45 % of the Earth surface shows AOD550 smaller than 0.1. There is a need for measurement techniques that are optimized to measure aerosol optical properties under low AOD conditions. We present an inherently calibrated retrieval (i.e., no need for radiance calibration) to simultaneously measure AOD and the aerosol phase function parameter, g, based on measurements of azimuth distributions of the Raman scattering probability (RSP), the near-absolute rotational Raman scattering (RRS) intensity. We employ radiative transfer model simulations to show that for solar azimuth RSP measurements at solar elevation and solar zenith angle (SZA) smaller than 80°, RSP is insensitive to the vertical distribution of aerosols and maximally sensitive to changes in AOD and g under near-molecular scattering conditions. The University of Colorado two-dimensional Multi-AXis Differential Optical Absorption Spectroscopy (CU 2-D-MAX-DOAS) instrument was deployed as part of the Two Column Aerosol Project (TCAP) at Cape Cod, MA, during the summer of 2012 to measure direct sun spectra and RSP from scattered light spectra at solar relative azimuth angles (SRAAs) between 5 and 170°. During two case study days with (1) high aerosol load (17 July, 0.3 < AOD430 < 0.6) and (2) near-molecular scattering conditions (22 July, AOD430 < 0.13) we compare RSP-based retrievals of AOD430 and g with data from a co-located CIMEL sun photometer, Multi-Filter Rotating Shadowband Radiometer (MFRSR), and an airborne High Spectral Resolution Lidar (HSRL-2). The average difference (relative to DOAS) for AOD430 is +0.012 ± 0.023 (CIMEL), -0.012 ± 0.024 (MFRSR), -0.011 ± 0.014 (HSRL-2), and +0.023 ± 0.013 (CIMELAOD - MFRSRAOD) and yields the following

  11. Determination of SiO2 Raman spectrum indicating the transformation from coesite to quartz in Gföhl migmatitic gneisses in the Moldanubian Zone, Czech Republic

    National Research Council Canada - National Science Library

    Tomoyuki KOBAYASHI; Takao HIRAJIMA; Yoshikuni HIROI; Martin SVOJTKA

    2008-01-01

    .... The Raman spectrum is composed of the intense vibrations of quartz at 464, 393 and 266 cm-1 of quartz and the weak vibration of coesite at 521 cm-1 is obtained from the quartz proximal to the relict...

  12. FT-IR and FT-Raman spectroscopic signatures, vibrational assignments, NBO, NLO analysis and molecular docking study of 2-{[5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine.

    Science.gov (United States)

    Almutairi, Maha S; Alanazi, Amer M; Al-Abdullah, Ebtehal S; El-Emam, Ali A; Pathak, Shilendra K; Srivastava, Ruchi; Prasad, Onkar; Sinha, Leena

    2015-04-05

    FT-Raman and FT-IR spectra of the title compound 2-{[5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine were recorded and investigated. The DFT/B3LYP/6-311++G(d,p) method was used to compute the vibrational wavenumbers. A good coherence between experimental and theoretical wavenumbers shows the preciseness of the assignments. NLO properties like the dipole moment, polarizability, first static hyperpolarizability, molecular electrostatic potential surface and contour map have been calculated to get a better cognizance of the properties of the title molecule. Natural bond orbital analysis has been applied to estimate the stability of the molecule arising from charge delocalization. The molecular docking studies concede that title compound may exhibit HIV-1 Protease 1N49 inhibitory activity. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Raman bands in Ag nanoparticles obtained in extract of Opuntia ficus-indica plant

    Science.gov (United States)

    Bocarando-Chacon, J.-G.; Cortez-Valadez, M.; Vargas-Vazquez, D.; Rodríguez Melgarejo, F.; Flores-Acosta, M.; Mani-Gonzalez, P. G.; Leon-Sarabia, E.; Navarro-Badilla, A.; Ramírez-Bon, R.

    2014-05-01

    Silver nanoparticles have been obtained in an extract of Opuntia ficus-indica plant. The size and distribution of nanoparticles were quantified by atomic force microscopy (AFM). The diameter was estimated to be about 15 nm. In addition, energy dispersive X-ray spectroscopy (EDX) peaks of silver were observed in these samples. Three Raman bands have been experimentally detected at 83, 110 and 160 cm-1. The bands at 83 and 110 cm-1 are assigned to the silver-silver Raman modes (skeletal modes) and the Raman mode located at 160 cm-1 has been assigned to breathing modes. Vibrational assignments of Raman modes have been carried out based on the Density Functional Theory (DFT) quantum mechanical calculation. Structural and vibrational properties for small Agn clusters with 2≤n≤9 were determined. Calculated Raman modes for small metal clusters have an approximation trend of Raman bands. These Raman bands were obtained experimentally for silver nanoparticles (AgNP).

  14. Noise Suppression Phenomenon in Fiber Raman Amplifier

    Directory of Open Access Journals (Sweden)

    Felinskyi Georgii

    2015-06-01

    Full Text Available The problem of small bit error rate is actual in fiber Raman amplifiers. Our experimental data on the amplified spontaneous emission (ASE with backward pumping as a base of optical noise evaluation are presented in this paper. Raman gain spectrum for useful Stokes low-powered signal is calculated and compared with obtained spectrum of non-coherent ASE noise. It is shown that output optical signal has better gain than the amplified spontaneous emission that leads to appreciable growth of output optical signal-to-noise ratio.

  15. Nonlinear optical polarization analysis in chemistry and biology

    CERN Document Server

    Simpson, Garth J

    2017-01-01

    This rigorous yet accessible guide presents a molecular-based description of nonlinear optical polarization analysis of chemical and biological assemblies. It includes discussion of the most common nonlinear optical microscopy and interfacial measurements used for quantitative analysis, specifically second harmonic generation (SHG), two-photon excited fluorescence (2PEF), vibrational sum frequency generation (SFG), and coherent anti-Stokes Raman spectroscopy/stimulated Raman spectroscopy (CARS/SRS). A linear algebra mathematical framework is developed, allowing step-wise systematic connections to be made between the observable measurements and the molecular response. Effects considered include local field corrections, the molecular orientation distribution, rotations between the molecular frame, the local frame and the laboratory frame, and simplifications from molecular and macromolecular symmetry. Specific examples are provided throughout the book, working from the common and relatively simple case studies ...

  16. Hybrid confocal Raman fluorescence microscopy on single cells using semiconductor quantum dots

    NARCIS (Netherlands)

    van Manen, H.J.; Otto, Cornelis

    2007-01-01

    We have overcome the traditional incompatibility of Raman microscopy with fluorescence microscopy by exploiting the optical properties of semiconductor fluorescent quantum dots (QDs). Here we present a hybrid Raman fluorescence spectral imaging approach for single-cell microscopy applications. We

  17. Understanding of local structure-function relationships of zeolites used in industry through polarized raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rivera, O. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Lascola, R. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Fessler, K. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Achey, R. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Hunter, D. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-09-26

    The overall objective of this project is to optics procurement and instrumental setup completed in Robert Lascola’s laboratory. An Ondax THz-Raman probe was installed in order to obtain Raman terahertz spectra of commercially available Zeolites.

  18. Noninvasive Vibrational Mode Spectroscopy of Ion Coulomb Crystals through Resonant Collective Coupling to an Optical Cavity Field

    DEFF Research Database (Denmark)

    Dantan, Aurélien; Marler, Joan; Albert, Magnus

    2010-01-01

    We report on a novel noninvasive method to determine the normal mode frequencies of ion Coulomb crystals in traps based on the resonance enhanced collective coupling between the electronic states of the ions and an optical cavity field at the single photon level. Excitations of the normal modes...... are observed through a Doppler broadening of the resonance. An excellent agreement with the predictions of a zero-temperature uniformly charged liquid plasma model is found. The technique opens up for investigations of the heating and damping of cold plasma modes, as well as the coupling between them....

  19. Displacement of polarons by vibrational modes in doped conjugated polymers

    Science.gov (United States)

    Anderson, M.; Ramanan, C.; Fontanesi, C.; Frick, A.; Surana, S.; Cheyns, D.; Furno, M.; Keller, T.; Allard, S.; Scherf, U.; Beljonne, D.; D'Avino, G.; von Hauff, E.; Da Como, E.

    2017-10-01

    Organic pi-conjugated polymers are deemed to be soft materials with strong electron-phonon coupling, which results in the formation of polarons, i.e., charge carriers dressed by self-localized distortion of the nuclei. Universal signatures for polarons are optical resonances below the band gap and intense vibrational modes (IVMs), both found in the infrared (IR) spectral region. Here, we study p -doped conjugated homo- and copolymers by combining first-principles modelling and optical spectroscopy from the far-IR to the visible. Polaronic IVMs are found to feature absorption intensities comparable to purely electronic transitions and, most remarkably, show only loose resemblance to the Raman or IR-active modes of the neutral polymer. The IVM frequency is dramatically scaled down (up to 50%) compared to the backbone carbon-stretching modes in the pristine polymers. The very large intensity of IVMs is associated with displacement of the excess positive charge along the backbone driven by specific vibrational modes. We propose a quantitative picture for the identification of these polaron shifting modes that solely based on structural information, directly correlates with their IR intensity. This finding finally discloses the elusive microscopic mechanism behind the huge IR intensity of IVMs in doped polymeric semiconductors.

  20. Emerging Dental Applications of Raman Spectroscopy

    Science.gov (United States)

    Choo-Smith, Lin-P'ing; Hewko, Mark; Sowa, Michael G.

    Until recently, the application of Raman spectroscopy to investigate dental tissues has primarily focused on using microspectroscopy to characterize dentin and enamel structures as well as to understand the adhesive interface of various resin and bonding agents used in restorative procedures. With the advent of improved laser, imaging/mapping and fibre optic technologies, the applications have expanded to investigate various biomedical problems ranging from oral cancer, bacterial identification and early dental caries detection. The overall aim of these applications is to develop Raman spectroscopy into a tool for use in the dental clinic. This chapter presents the recent dental applications of Raman spectroscopy as well as discusses the potential, strengths and limitations of the technology in comparison with alternative techniques. In addition, a discussion and rationale about combining Raman spectroscopy with other optical techniques will be included.

  1. The Inclusion of Raman Scattering Effects in the Combined Ocean-Atmosphere Radiative Transfer Model MOMO to Estimate the Influence of Raman Scattering in Case 1 Waters on Satellite Ocean Remote Sensing Applications

    Science.gov (United States)

    von Bismarck, J.; Fischer, J.

    2011-12-01

    Raman scattering of the solar lightfield, due to energy absorption by vibrational modes of water molecules, may contribute significantly to the signals observed by remote sensing satellites over water. The inelastic fraction of the water-leaving radiance for clear water reaches values of 30% in the red part of the visible spectrum, and still reaches values of several percent in moderately turbid waters. Furthermore, inelastic scattering due to chlorophyll and yellow substance fluorescence adds to this fraction. For these reasons the inclusion of inelastic scattering sources into radiative-transfer models, used in ocean remote sensing applications or atmosphere remote sensing over the ocean, can be important. MOMO is a computer code based on the matrix-operator method designed to calculate the lightfield in the stratified atmosphere-ocean system. It has been developed at the Institute for Space Sciences of the Freie Universität Berlin and provides the full polarization state (in the newest version) and an air-sea interface accounting for radiative effects of the wind roughened water surface. The inclusion of Raman scattering effects is done by a processing module, that starts a primary MOMO program run with a high spectral resolution, to calculate the radiative energy available for inelastic scattering at each model layer boundary. The processing module then calculates the first order Raman source-terms for every observation wavelength at every layer boundary, accounting for the non-isotropicity (including the azimuthal dependence) of the Raman phase-function, the spectral redistribution, and the spectral dependence of the Raman scattering coefficient. These elementary source-terms then serve as input for the second program run, which then calculates the source-terms of all model layers, using the doubling-adding method, and the resulting radiance field. Higher orders of the Raman contribution can be computed with additional program runs. Apart from the Raman

  2. Raman lidar observations of particle hygroscopicity during COPS

    Science.gov (United States)

    Stelitano, D.; Di Girolamo, P.; Summa, D.

    2012-04-01

    The characterization of particle hygroscopicity has primary importance for climate monitoring and prediction. Model studies have demonstrated that relative humidity (RH) has a critical influence on aerosol climate forcing. The relationship between aerosol backscattering and relative humidity has been investigated in numerous studies (among others, Pahlow et al., 2006; Wulfmeyer and Feingold, 2000; Veselovskii et al., 2009). Hygroscopic properties of aerosols influence particle size distribution and refractive index and hence their radiative effects. Aerosol particles tend to grow at large relative humidity values as a result of their hygroscopicity. Raman lidars with aerosol, water vapour and temperature measurement capability are potentially attractive tools for studying aerosol hygroscopicity as in fact they can provide continuous altitude-resolved measurements of particle optical, size and microphysical properties, as well as relative humidity, without perturbing the aerosols or their environment. Specifically, the University of Basilicata Raman lidar system (BASIL) considered for the present study, has the capability to perform all-lidar measurements of relative humidity based on the application of both the rotational and the vibrational Raman lidar techniques in the UV. BASIL was operational in Achern (Black Forest, Lat: 48.64 ° N, Long: 8.06 ° E, Elev.: 140 m) between 25 May and 30 August 2007 in the framework of the Convective and Orographically-induced Precipitation Study (COPS). During COPS, BASIL collected more than 500 hours of measurements, distributed over 58 measurement days and 34 intensive observation periods (IOPs). The present analysis is focused on selected case studies characterized by the presence of different aerosol types with different hygroscopic behaviour. The observed behaviour, dependent upon aerosol composition, may range from hygrophobic to strongly hygroscopic. Results from the different case studies will be illustrated and

  3. Soret Effect Study on High-Pressure CO2-Water Solutions Using UV-Raman Spectroscopy and a Concentric-Tube Optical Cell

    Energy Technology Data Exchange (ETDEWEB)

    Windisch, Charles F.; McGrail, B. Peter; Maupin, Gary D.

    2012-01-01

    Spatially resolved deep-UV Raman spectroscopy was applied to solutions of CO2 and H2O (or D2O), which were subject to a temperature gradient in a thermally regulated high-pressure concentric-tube Raman cell in an attempt to measure a Soret effect in the vicinity of the critical point of CO2. Although Raman spectra of solutions of CO2 dissolved in D2O at 10 MPa and temperatures near the critical point of CO2 had adequate signal-to-noise and spatial resolution to observe a Soret effect with a Soret coefficient with magnitude of |ST| > 0.03, no evidence for an effect of this size was obtained for applied temperature gradients up to 19oC. The presence of 1 M NaCl did not make a difference. In contrast, the concentration of CO2 dissolved in H2O was shown to vary significantly across the temperature gradient when excess CO2 was present, but the results could be explained simply by the variation in CO2 solubility over the temperature range and not to kinetic factors. For mixtures of D2O dissolved in scCO2 at 10 MPa and temperatures close to the critical point of CO2, the Raman peaks for H2O were too weak to measure with confidence even at the limit of D2O solubility.

  4. Spectroscopic (FT-IR, FT-Raman, UV-Vis) analysis, conformational, HOMO-LUMO, NBO and NLO calculations on monomeric and dimeric structures of 4-pyridazinecarboxylic acid by HF and DFT methods

    Science.gov (United States)

    Eşme, A.; Sağdınç, S. G.

    2017-11-01

    In this study, the Fourier transform infrared (FT-IR) and Fourier transform Raman (FT-Raman) spectra of 4-pyridazinecarboxylic acid (4PCA) in solid phase were recorded and analyzed. Quantum chemical calculations of the optimized molecular structure, energies, conformational, UV-Vis, nonlinear optical (NLO) and natural bond orbital (NBO) analysis, molecular surfaces, Mulliken charges, and vibrational studies for 4PCA were performed using the ab initio Hartree-Fock (HF) and density functional theory (DFT/B3LYP) methods with 6-311++G(d,p) basis set. Obtained results on the geometric structure and vibrational frequencies are compared with observed data. The dimeric structure of 4PCA with DFT/B3LYP/6-311++G(d,p) level caused by the shifts of Osbnd H and Cdbnd O bands in the vibrational spectra of 4PCA were also studied. Moreover, the spectroscopic and theoretical results were compared with the corresponding properties for monomeric and dimeric structures of 4PCA. The calculated highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies also confirm that charge transfer occurs within the molecule. NBO analysis confirms the presence of intramolecular charge transfer and the hydrogen bonding interaction. The detailed vibrational assignments were performed with the HF and DFT calculations, and the potential energy distribution (PED) was obtained by the Vibrational Energy Distribution Analysis (VEDA4) program.

  5. A review of Raman spectroscopy advances with an emphasis on clinical translation challenges in oncology.

    Science.gov (United States)

    Jermyn, Michael; Desroches, Joannie; Aubertin, Kelly; St-Arnaud, Karl; Madore, Wendy-Julie; De Montigny, Etienne; Guiot, Marie-Christine; Trudel, Dominique; Wilson, Brian C; Petrecca, Kevin; Leblond, Frederic

    2016-12-07

    There is an urgent need for improved techniques for disease detection. Optical spectroscopy and imaging technologies have potential for non- or minimally-invasive use in a wide range of clinical applications. The focus here, in vivo Raman spectroscopy (RS), measures inelastic light scattering based on interaction with the vibrational and rotational modes of common molecular bonds in cells and tissue. The Raman 'signature' can be used to assess physiological status and can also be altered by disease. This information can supplement existing diagnostic (e.g. radiological imaging) techniques for disease screening and diagnosis, in interventional guidance for identifying disease margins, and in monitoring treatment responses. Using fiberoptic-based light delivery and collection, RS is most easily performed on accessible tissue surfaces, either on the skin, in hollow organs or intra-operatively. The strength of RS lies in the high biochemical information content of the spectra, that characteristically show an array of very narrow peaks associated with specific chemical bonds. This results in high sensitivity and specificity, for example to distinguish malignant or premalignant from normal tissues. A critical issue is that the Raman signal is often very weak, limiting clinical use to point-by-point measurements. However, non-linear techniques using pulsed-laser sources have been developed to enable in vivo Raman imaging. Changes in Raman spectra with disease are often subtle and spectrally distributed, requiring full spectral scanning, together with the use of tissue classification algorithms that must be trained on large numbers of independent measurements. Recent advances in instrumentation and spectral analysis have substantially improved the clinical feasibility of RS, so that it is now being investigated with increased success in a wide range of cancer types and locations, as well as for non-oncological conditions. This review covers recent advances and continuing

  6. A review of Raman spectroscopy advances with an emphasis on clinical translation challenges in oncology

    Science.gov (United States)

    Jermyn, Michael; Desroches, Joannie; Aubertin, Kelly; St-Arnaud, Karl; Madore, Wendy-Julie; De Montigny, Etienne; Guiot, Marie-Christine; Trudel, Dominique; Wilson, Brian C.; Petrecca, Kevin; Leblond, Frederic

    2016-12-01

    There is an urgent need for improved techniques for disease detection. Optical spectroscopy and imaging technologies have potential for non- or minimally-invasive use in a wide range of clinical applications. The focus here, in vivo Raman spectroscopy (RS), measures inelastic light scattering based on interaction with the vibrational and rotational modes of common molecular bonds in cells and tissue. The Raman ‘signature’ can be used to assess physiological status and can also be altered by disease. This information can supplement existing diagnostic (e.g. radiological imaging) techniques for disease screening and diagnosis, in interventional guidance for identifying disease margins, and in monitoring treatment responses. Using fiberoptic-based light delivery and collection, RS is most easily performed on accessible tissue surfaces, either on the skin, in hollow organs or intra-operatively. The strength of RS lies in the high biochemical information content of the spectra, that characteristically show an array of very narrow peaks associated with specific chemical bonds. This results in high sensitivity and specificity, for example to distinguish malignant or premalignant from normal tissues. A critical issue is that the Raman signal is often very weak, limiting clinical use to point-by-point measurements. However, non-linear techniques using pulsed-laser sources have been developed to enable in vivo Raman imaging. Changes in Raman spectra with disease are often subtle and spectrally distributed, requiring full spectral scanning, together with the use of tissue classification algorithms that must be trained on large numbers of independent measurements. Recent advances in instrumentation and spectral analysis have substantially improved the clinical feasibility of RS, so that it is now being investigated with increased success in a wide range of cancer types and locations, as well as for non-oncological conditions. This review covers recent advances and

  7. Using Raman Spectroscopy and Surface-Enhanced Raman Scattering to Identify Colorants in Art: An Experiment for an Upper-Division Chemistry Laboratory

    Science.gov (United States)

    Mayhew, Hannah E.; Frano, Kristen A.; Svoboda, Shelley A.; Wustholz, Kristin L.

    2015-01-01

    Surface-enhanced Raman scattering (SERS) studies of art represent an attractive way to introduce undergraduate students to concepts in nanoscience, vibrational spectroscopy, and instrumental analysis. Here, we present an undergraduate analytical or physical chemistry laboratory wherein a combination of normal Raman and SERS spectroscopy is used to…

  8. The resonance Raman excitation profile of lutein

    Science.gov (United States)

    Hoskins, L. C.

    The resonance Raman excitation profiles for the ν 1, ν 2 and ν 3 vibrations of lutein in acetone, toluene and carbon disulfide solvents have been measured. The results are interpreted in terms of a three-mode vibrational theory which includes both homogeneous and inhomogeneous broadening effects. Excellent agreement between calculated and observed excitation profiles and visible spectra was found in acetone and toluene, but the results in carbon disulfide indicate a possible breakdown in the three-mode model. The major broadening mechanism is homogeneous, with about a 25% contribution from inhomogeneous broadening.

  9. Raman Spectroscopic Study of Tungsten(VI) Oxosulfato Complexes in WO3–K2S2O7–K2SO4 Molten Mixtures: Stoichiometry, Vibrational Properties and Molecular Structure

    DEFF Research Database (Denmark)

    Paulson, Andreas L.; Kalampounias, Angelos G.; Berg, Rolf W.

    2011-01-01

    ; therefore, the reaction WO3 þ S2O7 2- f WO2(SO4)2 2- with six-fold W coordination is proposed as fully consistent with the observed Raman features. The effects of the incremental dissolution and presence of K2SO4 inWO3-K2S2O7 melts point to aWO3 3 K2S2O7 3 K2SO4 stoichiometry and a corresponding complex...

  10. Raman Spectroscopic Analysis of Biochemical Changes in Individual Triglyceride-Rich Lipoproteins in the Pre- and Postprandial State

    Energy Technology Data Exchange (ETDEWEB)

    Chan, J; Motton, D; Rutledge, J; Keim, N; Huser, T

    2004-09-13

    Individual triglyceride-rich lipoprotein (TGRL) particles derived from human volunteers are non-destructively analyzed by laser tweezers Raman microspectroscopy and information on their composition and distribution is obtained. The Raman signature of single optically trapped very low-density lipoproteins (VLDL), a subclass of TGRL, which play an important role in cardiovascular disease, exhibits distinct peaks associated with molecular vibrations of fatty acids, proteins, lipids, and structural rearrangements of lipids. Our analysis of pre- and postprandial VLDL exhibits the signature of biochemical changes in individual lipoprotein particles following the consumption of meals. Interaction of VLDL with endothelium leads to the breakdown of complex triacylglycerols and the formation of a highly ordered core of free saturated fatty acids in the particle. A particle distribution analysis reveals trends in the degree to which this process has occurred in particles at different times during the postprandial period. Differences in particle distributions based on the different ratios of polyunsaturated to saturated fats in the consumed meals are also easily discerned. Individual lipoprotein particles hydrolyzed in-vitro through addition of lipoprotein lipase (LpL) exhibit strikingly similar changes in their Raman spectra. These results demonstrate the feasibility of monitoring the dynamics of lipid metabolism of individual TGRL particles as they interact with LpL in the endothelial cell wall using Raman spectroscopy.

  11. Short-term monitoring of a gas seep field in the Katakolo bay (Western Greece) using Raman spectra DTS and DAS fibre-optic methods

    Science.gov (United States)

    Chalari, A.; Mondanos, M.; Finfer, D.; Christodoulou, D.; Kordella, S.; Papatheodorou, G.; Geraga, M.; Ferentinos, G.

    2012-12-01

    A wide submarine seep of thermogenic gas in the Katakolo bay, Western Greece, was monitored passively using the intelligent Distributed Acoustic Sensor (iDAS) and Ultima Raman spectra Distributed Temperature Sensor (DTS), in order to study the thermal and noise signal of the bubble plumes released from the seafloor. Katakolo is one one of the most prolific thermogenic gas seepage zones in Europe and the biggest methane seep ever reported in Greece. Very detailed repetitive offshore gas surveys, including marine remote sensing (sub-bottom profiling, side scan sonar), underwater exploration by a towed instrumented system (MEDUSA), long-term monitoring benthic station (GMM), compositional and isotopic analyses, and flux measurements of gas, showed that: (a) gas seepage takes place over an extended area in the Katakolo harbour and along two main normal faults off the harbour; (b) at least 823 gas bubble ( 10-20 cm in diameter) plumes escaping over an area of 94,200 m2, at depths ranging from 5.5 to 16 m; (c) the gas consists mainly of methane and has H2S levels of hundreds to thousands ppmv, and shows significant amounts of other light hydrocarbons like ethane, propane, iso-butane and C6 alkanes, (d) offshore and onshore seeps release the same type of thermogenic gas; (e) due to the shallow depth, more than 90 % of CH4 released at the seabed enters the atmosphere, and (f) the gas seeps may produce severe geohazards for people, buildings and construction facilities due to the explosive and toxicological properties of methane and hydrogen sulfide, respectively. For the short-term monitoring, the deployment took place on a site located inside the harbour of Katakolo within a thermogenic gas seepage area where active faults are intersected. The iDAS system makes it possible to observe the acoustical signal along the entire length of an unmodified optical cable without introducing any form of point sensors such as Bragg gratings. When the bubble plumes are released by the

  12. Raman spectroscopy of thin films

    Science.gov (United States)

    Burgess, James Shaw

    Raman spectroscopy was used in conjunction with x-ray diffraction and x-ray photoelectron spectroscopy to elucidate structural and compositional information on a variety of samples. Raman was used on the unique La 2NiMnO6 mixed double perovskite which is a member of the LaMnO3 family of perovskites and has multiferroic properties. Raman was also used on nanodiamond films as well as some boron-doped carbon compounds. Finally, Raman was used to identify metal-dendrimer bonds that have previously been overlooked. Vibrational modes for La2NiMnO6 were ascribed by comparing spectra with that for LaMnO3 bulk and thin film spectra. The two most prominent modes were labeled as an asymmetric stretch (A g) centered around 535 cm-1 and a symmetric stretch (B g) centered around 678 cm. The heteroepitaxial quality of La2NiMnO 6 films on SrTiO3 (100) and LaAlO3 (100) substrates were examined using the Raman microscope by way of depth profile experiments and by varying the thickness of the films. It was found that thin films (10 nm) had much greater strain on the LaAlO3 substrate than on the SrTiO3 substrate by examining the shifts of the Ag and the Bg modes from their bulk positions. Changes in the unit cell owing to the presence of oxygen defects were also monitored using Raman spectroscopy. It was found that the Ag and Bg modes shifted between samples formed with different oxygen partial pressures. These shifts could be correlated to changes in the symmetry of the manganese centers due to oxygen defects. Raman spectroscopy was used to examine the structural and compositional characteristics of carbon materials. Nanocrystalline diamond coated cutting tools were examined using the Raman Microscope. Impact, abrasion, and depth profile experiments indicated that delamination was the primary cause of film failure in these systems. Boron doped material of interest as catalyst supports were also examined. Monitoring of the G-mode and intensities of the D- and G-modes indicated that

  13. Monitoring vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Tiryaki, B. [Hacettepe University (Turkey). Dept. of Mining Engineering

    2003-12-01

    The paper examines the prediction and optimisation of machine vibrations in longwall shearers. Underground studies were carried out at the Middle Anatolian Lignite Mine, between 1993 and 1997. Several shearer drums with different pick lacing arrangements were designed and tested on double-ended ranging longwall shearers employed at the mine. A computer program called the Vibration Analysis Program (VAP) was developed for analysing machine vibrations in longwall shearers. Shearer drums that were tested underground, as well as some provided by leading manufacturers, were analyzed using these programs. The results of the experiments and computer analyses are given in the article. 4 refs., 9 figs.

  14. Label-free imaging and identification of typical cells of acute myeloid leukaemia and myelodysplastic syndrome by Raman microspectroscopy.

    Science.gov (United States)

    Vanna, R; Ronchi, P; Lenferink, A T M; Tresoldi, C; Morasso, C; Mehn, D; Bedoni, M; Picciolini, S; Terstappen, L W M M; Ciceri, F; Otto, C; Gramatica, F

    2015-02-21

    In clinical practice, the diagnosis and classification of acute myeloid leukaemia (AML) and myelodysplastic syndrome (MDS) start from the manual examination of stained smears of bone marrow (BM) and peripheral blood (PB) by using an optical microscope. This step is subjective and scarcely reproducible. Therefore, the development of subjective and potentially automatable methods for the recognition of typical AML/MDS cells is necessary. Here we have used Raman spectroscopy for distinguishing myeloblasts, promyelocytes, abnormal promyelocytes and erhytroblasts, which have to be counted for a correct diagnosis and morphological classification of AML and MDS. BM samples from patients affected by four different AML subtypes, mostly characterized by the presence of the four subpopulations selected for this study, were analyzed. First, each cell was scanned by acquiring 4096 spectra, thus obtaining Raman images which demonstrate an accurate description of morphological features characteristic of each subpopulation. Raman imaging coupled with hierarchical cluster analysis permitted the automatic discrimination and localization of the nucleus, the cytoplasm, myeloperoxidase containing granules and haemoglobin. Second, the averaged Raman fingerprint of each cell was analysed by multivariate analysis (principal component analysis and linear discriminant analysis) in order to study the typical vibrational features of each subpopulation and also for the automatic recognition of cells. The leave-one-out cross validation of a Raman-based classification model demonstrated the correct classification of myeloblasts, promyelocytes (normal/abnormal) and erhytroblasts with an accuracy of 100%. Normal and abnormal promyelocytes were distinguished with 95% accuracy. The overall classification accuracy considering the four subpopulations was 98%. This proof-of-concept study shows that Raman micro-spectroscopy could be a valid approach for developing label-free, objective and automatic

  15. Surface-enhanced Raman spectroscopy of urine by an ingenious near-infrared Raman spectrometer

    Science.gov (United States)

    Feng, Shangyuan; Chen, Weiwei; Li, Yongzeng; Chen, Guannan; Huang, Zufang; Liao, Xiaohua; Xie, Zhiming; Chen, Rong

    2007-11-01

    This paper demonstrates the potential of an elaborately devised near-infrared Raman system in analysis of urine. The broad band in the long-wavelength region of the electronic absorption spectra of the sol with added adsorbent at certain concentrations has been explained in terms of the aggregation of the colloidal silver particles. We have reported the surface-enhanced Raman (SERS) spectra of urine, and studied the silver solution enhanced effects on the urine Raman scattering. The Raman bands of human's urine was assigned to certain molecule vibrations. We have found that different donators have dissimilar SERS of urine in different physiological condition. Comparatively few studies have explored the ability of Raman spectroscopy for the analysis of urine acid. In the present report, we investigated the ability of surface enhanced Raman spectroscopy to measure uric acid in the human urine. The results suggested that the present Raman system holds considerable promise for practical use. Practical applications such as the quantitative medical examination of urine metabolites may also be feasible in the near future.

  16. QED description of Raman scattering from molecules in plasmonic cavities

    CERN Document Server

    Schmidt, Mikolaj K; Gonzalez-Tudela, Alejandro; Giedke, Geza; Aizpurua, Javier

    2015-01-01

    Plasmon-enhanced Raman scattering can push single-molecule vibrational spectroscopy beyond a regime addressable by classical electrodynamics. We employ a quantum electrodynamics (QED) description of the coherent interaction of plasmons and molecular vibrations that reveal the emergence of nonlinearities in the inelastic response of the system. For realistic situations, we predict the onset of \\textit{phonon-stimulated Raman scattering} and an counter-intuitive dependence of the anti-Stokes emission on the frequency of excitation. We further show that this novel QED framework opens a venue to analyze the correlations of photons emitted at a plasmonic cavity

  17. High-speed stimulated Raman scattering microscopy for studying the metabolic diversity of motile Euglena gracilis

    Science.gov (United States)

    Suzuki, Y.; Wakisaka, Y.; Iwata, O.; Nakashima, A.; Ito, T.; Hirose, M.; Domon, R.; Sugawara, M.; Tsumura, N.; Watarai, H.; Shimobaba, T.; Suzuki, K.; Goda, K.; Ozeki, Y.

    2017-02-01

    Microalgae have been receiving great attention for their ability to produce biomaterials that are applicable for food supplements, drugs, biodegradable plastics, and biofuels. Among such microalgae, Euglena gracilis has become a popular species by virtue of its capability of accumulating useful metabolites including paramylon and lipids. In order to maximize the production of desired metabolites, it is essential to find ideal culturing conditions and to develop efficient methods for genetic transformation. To achieve this, understanding and controlling cell-to-cell variations in response to external stress is essential, with chemically specific analysis of microalgal cells including E. gracilis. However, conventional analytical tools such as fluorescence microscopy and spontaneous Raman scattering are not suitable for evaluation of diverse populations of motile microalgae, being restricted either by the requirement for fluorescent labels or a limited imaging speed, respectively. Here we demonstrate video-rate label-free metabolite imaging of live E. gracilis using stimulated Raman scattering (SRS) - an optical spectroscopic method for probing the vibrational signatures of molecules with orders of magnitude higher sensitivity than spontaneous Raman scattering. Our SRS's highspeed image acquisition (27 metabolite images per second) allows for population analysis of live E. gracilis cells cultured under nitrogen-deficiency - a technique for promoting the accumulation of paramylon and lipids within the cell body. Thus, our SRS system's fast imaging capability enables quantification and analysis of previously unresolvable cell-to-cell variations in the metabolite accumulation of large motile E. gracilis cell populations.

  18. High-pressure Raman study of mono-L-alaninium nitrate crystals

    Science.gov (United States)

    Soares, R. A.; Lima, R. J. C.; Façanha Filho, P. F.; Freire, P. T. C.; Lima, J. A.; da Silva Filho, J. G.

    2017-09-01

    Single-crystal samples of mono-L-alaninium nitrate, known for its non-linear optical properties, have been studied by Raman spectroscopy in a diamond-anvil cell up to pressures of 7.4 GPa. The data acquired in this study are consistent with the hypothesis that a phase transition takes place between 3.5 and 4.1 GPa, as suggested by the change of Raman profile in both the low wavenumber and the internal modes spectral regions. A detailed analysis of the vibrational properties in the wavenumber region below 130 cm-1 including the dependence of the wavenumber of the observed modes as a function of pressure as well a comparison with previous papers reporting the Raman spectra of the L-alanine is presented. Correlation between hydrogen bond at room pressure and the occurrence of the phase transition with pressure variation was proposed giving new insights about the problem. Upon decompression to ambient pressure the original spectra were recovered indicating that the phase transition is reversible.

  19. Vibrational Spectroscopic Studies and Computational Study of 1,2-Diphenyl-4-n-Butyl-3,5-Pyrazolidinedione

    Directory of Open Access Journals (Sweden)

    C. Yohannan Panicker

    2011-01-01

    Full Text Available FT-IR and FT-Raman spectra of 1,2-diphenyl-4-n-Butyl-3,5-pyrazolidinedione (Phenylbutazone were recorded and analyzed. The vibrational wavenumbers were computed using HF/6-31G(d and B3LYP/6-31G(d basis sets and compared with experimental data. The first hyperpolarizability, infrared intensities and Raman activities are also reported. The geometrical parameters of the title compound obtained from theoretical calculations are in agreement with that of reported similar derivatives. The first hyperpolarizability is comparable with reported values of similar derivatives and is an attractive molecule for future applications in non-linear optics. The variation in C-N bond lengths suggests an extended π-electron delocalization over the pyrazolidinedione moiety which is responsible for the nonlinearity of the molecule.

  20. Vibrational phase contrast CARS microscopy

    NARCIS (Netherlands)

    Jurna, M.

    2010-01-01

    This thesis describes a new technique that improves specificity, selectivity and sensitivity in coherent anti-Stokes Raman scattering (CARS) microscopy. CARS microscopy is a nonlinear optical technique that utilizes specific bonds of molecules, sometimes referred to as the `fingerprint' of a