WorldWideScience

Sample records for wavelength-dependent selective spectroscopy

  1. Elucidating the Wavelength Dependence of Phonon Scattering in Nanoparticle-Matrix Composites using Phonon Spectroscopy

    Science.gov (United States)

    2016-07-11

    converted into a solid inorganic matrix afterwards. Metal-chalcogenide complexes (MCCs) have been demonstrated to be soluble precursors for a broad range...AFRL-AFOSR-VA-TR-2016-0246 Elucidating the Wavelength Dependence of Phonon Scattering in Nanoparticle- Matrix Composites using PhononSpectroscopy...SUBTITLE Elucidating the Wavelength Dependence of Phonon Scattering in Nanoparticle- Matrix Composites using PhononSpectroscopy 5a. CONTRACT NUMBER

  2. Holographic Spectroscopy: Wavelength-Dependent Analysis of Photosensitive Materials by Means of Holographic Techniques

    Directory of Open Access Journals (Sweden)

    Kay-Michael Voit

    2013-01-01

    Full Text Available Holographic spectroscopy is highlighted as a powerful tool for the analysis of photosensitive materials with pronounced alterations of the complex permittivity over a broad range in the visible spectrum, due to the advances made both in the fields of advanced holographic media and highly tunable lasers systems. To analytically discuss consequences for in- and off-Bragg reconstruction, we revised Kogelnik’s coupled wave theory strictly on the basis of complex permittivities. We extended it to comply with modern experimental parameters such as out-of-phase mixed holograms and highly modulated gratings. A spatially modulated, wavelength-dependent permittivity that superimposes a spatially homogeneous wavelength-dependent ground state spectrum is taken into account for signal wave reconstruction with bulky elementary mixed gratings as an example. The dispersion characteristics of the respective diffraction efficiency is modelled for color-center-absorption and absorption of strongly localized carriers. As an example for the theoretical possibilities of our newly derived set of equations, we present a quantitative analysis of the Borrmann effect connected to out-of-phase gratings, providing easier and more intuitive methods for the derivation of their grating parameters.

  3. Wavelength-Dependent Differential Interference Contrast Microscopy: Selectively Imaging Nanoparticle Probes in Live Cells

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Wei; Wang, Gufeng; Fang, Ning; and Yeung, Edward S.

    2009-11-15

    Gold and silver nanoparticles display extraordinarily large apparent refractive indices near their plasmon resonance (PR) wavelengths. These nanoparticles show good contrast in a narrow spectral band but are poorly resolved at other wavelengths in differential interference contrast (DIC) microscopy. The wavelength dependence of DIC contrast of gold/silver nanoparticles is interpreted in terms of Mie's theory and DIC working principles. We further exploit this wavelength dependence by modifying a DIC microscope to enable simultaneous imaging at two wavelengths. We demonstrate that gold/silver nanoparticles immobilized on the same glass slides through hybridization can be differentiated and imaged separately. High-contrast, video-rate images of living cells can be recorded both with and without illuminating the gold nanoparticle probes, providing definitive probe identification. Dual-wavelength DIC microscopy thus presents a new approach to the simultaneous detection of multiple probes of interest for high-speed live-cell imaging.

  4. On the Wavelength-Dependent Performance of Cr-Doped Silica in Selective Photo-Oxidation

    NARCIS (Netherlands)

    Berg, Otto; Hamdy, Mohamed S.; Maschmeyer, T.; Moulijn, J.A.; Bonn, M.; Mul, Guido

    2008-01-01

    We have evaluated the hypothesis that the performance of a chromium-based photocatalyst (activity and selectivity) can be tuned by means of the wavelength to which the catalyst is exposed. To this end, we synthesized an amorphous, mesoporous silica matrix loaded with 10 at % chromium/silicon,

  5. New method of estimating wavelength-dependent optical path length ratios for oxy- and deoxyhemoglobin measurement using near-infrared spectroscopy.

    Science.gov (United States)

    Umeyama, Shinji; Yamada, Toru

    2009-01-01

    In near-infrared spectroscopy (NIRS), concentration changes in oxy- and deoxyhemoglobin are calculated using an attenuation change of the measurement light and by solving a linear equation based on the modified Lambert-Beer law. While solving this equation, we need to know the wavelength-dependent mean optical path lengths of the measurement lights. However, it is very difficult to know these values by a continuous-wave-type (CW-type) system. We propose a new method of estimating wavelength-dependent optical path length ratios of the measurement lights based on the data obtained by a triple wavelength CW-type NIRS instrument. The proposed method does not give a path length itself, but it gives a path length ratio. Thus, it is possible to obtain the accurate hemoglobin concentration changes without cross talk, although the method cannot contribute to the quantification of the absolute magnitude of hemoglobin changes. The method is based on the principle that two possible estimations of hemoglobin concentration changes calculated using a triple-wavelength measurement system should be identical. The method was applied to the experimental data of human subjects' foreheads. The estimated path length ratios were very similar to literature values obtained by using picosecond laser pulses and a streak camera detector [M. Essenpreis et al., Appl. Opt. 32(4), 418-425 (1993)].

  6. Topology optimised wavelength dependent splitters

    DEFF Research Database (Denmark)

    Hede, K. K.; Burgos Leon, J.; Frandsen, Lars Hagedorn

    A photonic crystal wavelength dependent splitter has been constructed by utilising topology optimisation1. The splitter has been fabricated in a silicon-on-insulator material (Fig. 1). The topology optimised wavelength dependent splitter demonstrates promising 3D FDTD simulation results. This com......A photonic crystal wavelength dependent splitter has been constructed by utilising topology optimisation1. The splitter has been fabricated in a silicon-on-insulator material (Fig. 1). The topology optimised wavelength dependent splitter demonstrates promising 3D FDTD simulation results...

  7. Selective excavation of decalcified dentin using a mid-infrared tunable nanosecond pulsed laser: wavelength dependency in the 6 μm wavelength range

    Science.gov (United States)

    Ishii, Katsunori; Saiki, Masayuki; Yoshikawa, Kazushi; Yasuo, Kenzo; Yamamoto, Kazuyo; Awazu, Kunio

    2011-07-01

    Selective caries treatment has been anticipated as an essential application of dentistry. In clinic, some lasers have already realized the optical drilling of dental hard tissue. However, conventional lasers lack the selectivity, and still depend on the dentist's ability. Based on the absorption property of carious dentin, 6 μm wavelength range shows specific absorptions and promising characteristics for excavation. The objective of this study is to develop a selective excavation of carious dentin by using the laser ablation with 6 μm wavelength range. A mid-infrared tunable pulsed laser was obtained by difference-frequency generation technique. The wavelength was tuned around the absorption bands called amide 1 and amide 2. In the wavelength range from 5.75 to 6.60 μm, the difference of ablation depth between demineralized and normal dentin was observed. The wavelength at 6.02 μm and the average power density of 15 W/cm2, demineralized dentin was removed selectively with less-invasive effect on normal dentin. The wavelength at 6.42 μm required the increase of average power density, but also showed the possibility of selective ablation. This study provided a valuable insight into a wavelength choice for a novel dental laser device under development for minimal intervention dentistry.

  8. Semitransparent organic solar cells with organic wavelength dependent reflectors

    NARCIS (Netherlands)

    Galagan, Y.O.; Debije, M.G.; Blom, P.W.M.

    2011-01-01

    Semitransparent organic solar cells employing solution-processable organic wavelength dependent reflectors of chiral nematic (cholesteric) liquid crystals are demonstrated. The cholesteric liquid crystal (CLC) reflects only in a narrow band of the solar spectrum and remains transparent for the

  9. Wavelength dependence of silicon avalanche photodiode fabricated by CMOS process

    Science.gov (United States)

    Mohammed Napiah, Zul Atfyi Fauzan; Hishiki, Takuya; Iiyama, Koichi

    2017-07-01

    Avalanche photodiodes fabricated by CMOS process (CMOS-APDs) have features of high avalanche gain below 10 V, wide bandwidth over 5 GHz, and easy integration with electronic circuits. In CMOS-APDs, guard ring structure is introduced for high-speed operation by canceling photo-generated carriers in the substrate at the sacrifice of the responsivity. We describe here wavelength dependence of the responsivity and the bandwidth of the CMOS-APDs with shorted and opened guard ring structure.

  10. Experimental prediction of the wavelength-dependent path-length factor for optical intrinsic signal analysis.

    Science.gov (United States)

    Sakaguchi, Koichiro; Tachibana, Tomoya; Furukawa, Shunsuke; Katsura, Takushige; Yamazaki, Kyoko; Kawaguchi, Hideo; Maki, Atsushi; Okada, Eiji

    2007-05-10

    Analysis of the optical intrinsic signal of an exposed cortex has been applied to measurement of functional brain activation. It is important for accurate measurement of concentration changes in oxygenated hemoglobin and deoxygenated hemoglobin to consider the wavelength dependence of the mean optical path lengths for the reflectance of cortical tissue. A method is proposed to experimentally estimate the wavelength dependence of the mean optical path length in cortical tissue from the multispectral reflectance of the exposed cortex without any additional instruments. The trend in the wavelength dependence of the mean optical path length estimated by the proposed method agrees with that estimated by the model-based prediction, whereas the magnitude of the wavelength dependence predicted by the proposed method is greater than that of the model-based prediction. The experimentally predicted mean optical path length minimizes the difference in the measured changes in the concentrations of the oxygenated hemoglobin and deoxygenated hemoglobin calculated from different wavelength pairs.

  11. Wavelength-dependent Crosstalk in Trench-Assisted Multi-Core Fibers

    DEFF Research Database (Denmark)

    Ye, Feihong; Tu, Jiajing; Saitoh, Kunimasa

    2014-01-01

    Analytical expressions for wavelength-dependent crosstalk in homogeneous trench-assisted multi-core fibers are derived. The calculated results from the expressions agree well with the numerical simulation results based on finite element method....

  12. On the wavelength dependence of UV induced thymine photolesions: a synchrotron radiation circular dichroism study.

    Science.gov (United States)

    Madsen, Marlene Møller; Jones, Nykola C; Nielsen, Steen Brøndsted; Hoffmann, Søren Vrønning

    2016-11-09

    Solar mutagenesis via the formation of thymine dimer photoproducts is a primary cause of skin cancer. The aim of this study is to provide a direct method for following the development of photolesions in thymine single strands and to determine how the formation of these photoproducts depends on the excitation wavelength in the ultraviolet (UV) between 210 nm and 325 nm. Experiments were performed both with a 20 Hz pulsed, intense, tunable laser as well as UV lamps (at 254 nm and 302 nm), but we find that only the dose matters at these wavelengths for the yield of photoproducts. Hence in both cases the lesion process is due to one-photon absorption. The formation and yields of the photoproducts as the irradiation dose is increased is followed through measurement of synchrotron radiation circular dichroism (SRCD) spectra. A principal component analysis (PCA) of the SRCD data yields CD signatures for each of the resulting photoproducts and reveals a strong irradiation wavelength dependence upon which products are formed; cyclobutane pyrimidine dimers (CPDs) are formed primarily at higher irradiation wavelengths (from 250 to 300 nm); the 6,4 pyrimidine-pyrimidone photoadduct (64PP) is formed in the range 210 to 285 nm, with a higher rate of formation in the lower part of that range, while in the very lowest irradiation wavelength range (210 to 240 nm) we find thymidine monophosphate (dTMP), which indicates cleavage of the DNA backbone. Our work demonstrates the strength of SRCD spectroscopy compared to ordinary absorption spectroscopy, as the latter is not sufficient to obtain fingerprints of the thymine photoproducts.

  13. Infrared spectroscopy of mass-selected carbocations

    Energy Technology Data Exchange (ETDEWEB)

    Duncan, Michael A. [Department of Chemistry, University of Georgia, Athens, Georgia 30602 (United States)

    2015-01-22

    Small carbocations are of longstanding interest in astrophysics, but there are few measurements of their infrared spectroscopy in the gas phase at low temperature. There are fewer-still measurements of spectra across the full range of IR frequencies useful to obtain an IR signature of these ions to detect them in space. We have developed a pulsed-discharge supersonic nozzle ion source producing high densities of small carbocations at low temperatures (50–70K). We employ mass-selected photodissociation spectroscopy and the method of rare gas “tagging”, together with new broadly tunable infrared OPO lasers, to obtain IR spectra for a variety of small carbocations including C{sub 2}H{sub 3}{sup +}, C{sub 3}H{sub 3}{sup +}, C{sub 3}H{sub 5}{sup +}, protonated benzene and protonated naphthalene. Spectra in the frequency range of 600–4500 cm{sup −1} provide new IR data for these ions and evidence for the presence of co-existing isomeric structures (e.g., C{sub 3}H{sub 3}{sup +} is present as both cyclopropenyl and propargyl). Protonated naphthalene has sharp bands at 6.2, 7.7 and 8.6 microns matching prominent features in the UIR spectra.

  14. Selective and differential optical spectroscopies in photosynthesis.

    Science.gov (United States)

    Krausz, Elmars

    2013-10-01

    Photosynthetic pigments are inherently intense optical absorbers and have strong polarisation characteristics. They can also luminesce strongly. These properties have led optical spectroscopies to be, quite naturally, key techniques in photosynthesis. However, there are typically many pigments in a photosynthetic assembly, which when combined with the very significant inhomogeneous and homogeneous linewidths characteristic of optical transitions, leads to spectral congestion. This in turn has made it difficult to provide a definitive and detailed electronic structure for many photosynthetic assemblies. An electronic structure is, however, necessary to provide a foundation for any complete description of fundamental processes in photosynthesis, particularly those in reaction centres. A wide range of selective and differential spectral techniques have been developed to help overcome the problems of spectral complexity and congestion. The techniques can serve to either reduce spectral linewidths and/or extract chromophore specific information from unresolved spectral features. Complementary spectral datasets, generated by a number of techniques, may then be combined in a 'multi-dimensional' theoretical analysis so as to constrain and define effective models of photosynthetic assemblies and their fundamental processes. A key example is the work of Renger and his group (Raszewski, Biophys J 88(2):986-998, 2005) on PS II reaction centre assemblies. This article looks to provide an overview of some of these techniques and indicate where their strengths and weaknesses may lie. It highlights some of our own contributions and indicates areas where progress may be possible.

  15. Wavelength dependence of light diffusion in strongly scattering macroporous gallium phosphide

    NARCIS (Netherlands)

    Peeters, W.H.; Vellekoop, Ivo Micha; Mosk, Allard; Lagendijk, Aart

    2008-01-01

    We present time-resolved measurements of light transport through strongly scattering macroporous gallium phosphide at various vacuum wavelengths between 705 nm and 855 nm. Within this range the transport mean free path is strongly wavelength dependent, whereas the observed energy velocity is shown

  16. Quantitative diagnosis of small approximal caries lesions utilizing wavelength-dependent fiber-optic transillumination

    NARCIS (Netherlands)

    Vaarkamp, J; TenBosch, JJ; Verdonschot, EH; Tranaeus, S

    The instruments clinically available for the diagnosis of approximal caries lesions are inadequate to detect lesions early and quantitatively. The aim of this study was to investigate whether wavelength-dependent light scattering and absorption of carious tissues may be utilized for the quantitative

  17. The wavelength dependence of gold nanorod-mediated optical breakdown during infrared ultrashort pulses

    Energy Technology Data Exchange (ETDEWEB)

    Davletshin, Yevgeniy R.; Kumaradas, J. Carl [Department of Physics, Ryerson University, Toronto, ON (Canada)

    2017-04-15

    This paper investigates the wavelength dependence of the threshold of gold nanorod-mediated optical breakdown during picosecond and femtosecond near infrared optical pulses. It was found that the wavelength dependence in the picosecond regime is governed solely by the changes of a nanorod's optical properties. On the other hand, the optical breakdown threshold during femtosecond pulse exposure falls within one of two regimes. When the ratio of the maximum electric field from the outside to the inside of the nanorod is less then 7 (the absorption regime) the seed electrons are initiated by photo-thermal emission, and the wavelength dependence in the threshold of optical breakdown is the result of optical properties of the nanoparticle. When the ratio is greater than 7 (the near-field regime) more seed electrons are initiated by multiphoton ionization, and the wavelength dependence of the threshold of optical breakdown results from a combination of nanorod's optical properties and transitions in the order of multiphoton ionization. The findings of this study can guide the design of nanoparticle based optical breakdown applications. This analysis also deepens the understanding of nanoparticle-mediated laser induced breakdown for picosecond and femtosecond pulses at near infrared wavelengths. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Wavelength-Dependence of Inter-Core Crosstalk in Homogeneous Multi-Core Fibers

    DEFF Research Database (Denmark)

    Ye, Feihong; Saitoh, Kunimasa; Takenaga, Katsuhiro

    2016-01-01

    The wavelength dependence of inter-core crosstalk in homogeneous multi-core fibers (MCFs) is investigated, and the corresponding analytical expressions are derived. The derived analytical expressions can be used to determine the crosstalk at any wavelength necessary for designing future MCF wavel...

  19. Laboratory study of nitrate photolysis in Antarctic snow. II. Isotopic effects and wavelength dependence

    Energy Technology Data Exchange (ETDEWEB)

    Berhanu, Tesfaye A.; Erbland, Joseph; Savarino, Joël [Laboratoire de Glaciologie et Géophysique de l’Environnement, CNRS, F-38041 Grenoble (France); Univ. Grenoble Alpes, LGGE, F-38041 Grenoble (France); Meusinger, Carl; Johnson, Matthew S. [Copenhagen Center for Atmospheric Research (CCAR), Department of Chemistry, University of Copenhagen, Copenhagen (Denmark); Jost, Rémy [Laboratoire de Interdisciplinaire de Physique (LIPHY) Univ. de Grenoble, Grenoble (France); Bhattacharya, S. K. [Research Center for Environmental Changes, Academia Sinica, Nangang, Taipei 115, Taiwan (China)

    2014-06-28

    Atmospheric nitrate is preserved in Antarctic snow firn and ice. However, at low snow accumulation sites, post-depositional processes induced by sunlight obscure its interpretation. The goal of these studies (see also Paper I by Meusinger et al. [“Laboratory study of nitrate photolysis in Antarctic snow. I. Observed quantum yield, domain of photolysis, and secondary chemistry,” J. Chem. Phys. 140, 244305 (2014)]) is to characterize nitrate photochemistry and improve the interpretation of the nitrate ice core record. Naturally occurring stable isotopes in nitrate ({sup 15}N, {sup 17}O, and {sup 18}O) provide additional information concerning post-depositional processes. Here, we present results from studies of the wavelength-dependent isotope effects from photolysis of nitrate in a matrix of natural snow. Snow from Dome C, Antarctica was irradiated in selected wavelength regions using a Xe UV lamp and filters. The irradiated snow was sampled and analyzed for nitrate concentration and isotopic composition (δ{sup 15}N, δ{sup 18}O, and Δ{sup 17}O). From these measurements an average photolytic isotopic fractionation of {sup 15}ε = (−15 ± 1.2)‰ was found for broadband Xe lamp photolysis. These results are due in part to excitation of the intense absorption band of nitrate around 200 nm in addition to the weaker band centered at 305 nm followed by photodissociation. An experiment with a filter blocking wavelengths shorter than 320 nm, approximating the actinic flux spectrum at Dome C, yielded a photolytic isotopic fractionation of {sup 15}ε = (−47.9 ± 6.8)‰, in good agreement with fractionations determined by previous studies for the East Antarctic Plateau which range from −40 to −74.3‰. We describe a new semi-empirical zero point energy shift model used to derive the absorption cross sections of {sup 14}NO{sub 3}{sup −} and {sup 15}NO{sub 3}{sup −} in snow at a chosen temperature. The nitrogen isotopic fractionations obtained by applying

  20. A complete parameterisation of the relative humidity and wavelength dependence of the refractive index of hygroscopic inorganic aerosol particles

    Science.gov (United States)

    Cotterell, Michael I.; Willoughby, Rose E.; Bzdek, Bryan R.; Orr-Ewing, Andrew J.; Reid, Jonathan P.

    2017-08-01

    Calculations of aerosol radiative forcing require knowledge of wavelength-dependent aerosol optical properties, such as single-scattering albedo. These aerosol optical properties can be calculated using Mie theory from knowledge of the key microphysical properties of particle size and refractive index, assuming that atmospheric particles are well-approximated to be spherical and homogeneous. We provide refractive index determinations for aqueous aerosol particles containing the key atmospherically relevant inorganic solutes of NaCl, NaNO3, (NH4)2SO4, NH4HSO4 and Na2SO4, reporting the refractive index variation with both wavelength (400-650 nm) and relative humidity (from 100 % to the efflorescence value of the salt). The accurate and precise retrieval of refractive index is performed using single-particle cavity ring-down spectroscopy. This approach involves probing a single aerosol particle confined in a Bessel laser beam optical trap through a combination of extinction measurements using cavity ring-down spectroscopy and elastic light-scattering measurements. Further, we assess the accuracy of these refractive index measurements, comparing our data with previously reported data sets from different measurement techniques but at a single wavelength. Finally, we provide a Cauchy dispersion model that parameterises refractive index measurements in terms of both wavelength and relative humidity. Our parameterisations should provide useful information to researchers requiring an accurate and comprehensive treatment of the wavelength and relative humidity dependence of refractive index for the inorganic component of atmospheric aerosol.

  1. Raman spectroscopy of selected carbonaceous samples

    Energy Technology Data Exchange (ETDEWEB)

    Kwiecinska, Barbara [University of Science and Technology-AGH, Faculty of Geology, Geophysics and Environmental Protection, Krakow (Poland); Suarez-Ruiz, Isabel [Instituto Nacional del Carbon, (INCAR-CSIC), Oviedo (Spain); Paluszkiewicz, Czeslawa [University of Science and Technology-AGH, Faculty of Materials Science and Technology, Krakow (Poland); Rodriques, Sandra [Universidade do Porto, Faculdade de Ciencias, Dept. de Geologia (Portugal)

    2010-12-01

    This paper presents the results of Raman spectra measured on carbonaceous materials ranging from greenschist facies to granulite-facies graphite (Anchimetamorphism and Epimetamorphism zones). Raman spectroscopy has come to be regarded as a more appropriate tool than X-ray diffraction for study of highly ordered carbon materials, including chondritic matter, soot, polycyclic aromatic hydrocarbons and evolved coal samples. This work demonstrates the usefulness of the Raman spectroscopy analysis in determining internal crystallographic structure (disordered lattice, heterogeneity). Moreover, this methodology permits the detection of differences within the meta-anthracite rank, semi-graphite and graphite stages for the samples included in this study. In the first order Raman spectra, the bands located near to c.a. 1350 cm{sup -1} (defects and disorder mode A{sub 1g}) and 1580 cm{sup -1} (in plane E{sub 2g} zone - centre mode) contribute to the characterization and determination of the degree of structural evolution and graphitization of the carbonaceous samples. The data from Raman spectroscopy were compared with parameters obtained by means of structural, chemical and optical microscopic analysis carried out on the same carbonaceous samples. The results revealed some positive and significant relationships, although the use of reflectance as a parameter for following the increase in structural order in natural graphitized samples was subject to limitations. (author)

  2. Spectroscopy of mobility-selected biomolecular ions.

    Science.gov (United States)

    Papadopoulos, Georgios; Svendsen, Annette; Boyarkin, Oleg V; Rizzo, Thomas R

    2011-01-01

    We describe here experiments that combine differential ion mobility, which separates conformational isomers of biomolecular ions, with electronic spectroscopy in a cold, radio-frequency ion trap. Although the low temperature attainable in a cold ion trap greatly simplifies the electronic spectra of large molecules, conformational heterogeneity can still be a significant source of congestion, complicating spectroscopic analysis. We demonstrate here that using differential ion mobility to separate gas-phase peptide conformers before injecting them into a cold ion trap allows one to decompose a dense spectrum into contributions from different conformational families. In the inverse sense, cold ion spectroscopy can be used as a conformation-specific detector for ion mobility, allowing one to separate an unresolved peak into contributions from different conformational families. The doubly protonated peptide bradykinin serves as a good test case for the marriage of these two techniques as it exhibits a considerable degree of conformational heterogeneity that results in a highly congested electronic spectrum. Our results demonstrate the feasibility and advantages of directly coupling ion mobility with spectroscopy and provide a diagnostic of conformational isomerization of this peptide after being produced in the gas phase by electrospray.

  3. Coherent Excitation-Selective Spectroscopy of Multipole Resonances

    Science.gov (United States)

    Fang, Xu; Tseng, Ming Lun; Tsai, Din Ping; Zheludev, Nikolay I.

    2016-01-01

    Thin films of functional materials, from graphene to semiconductor heterostructures, and from nanomembranes to Langmuir-Blodgett films play key roles in modern technologies. For such films optical interrogation is the main and often the only practical method of characterization. Here, we show that characterization of the optical response of thin films can be greatly improved with a type of coherent spectroscopy using two counterpropagating beams of light. The spectroscopy is selective to particular types of multipole resonances that form the absorption spectrum of the film, and therefore can reveal lines that are hidden in conventional absorption spectroscopy. We explicitly demonstrate selectivity of this spectroscopy in a series of proof-of-principle experiments with plasmonic metamaterial arrays designed to exhibit different multipole resonances. We further demonstrate the analytic potential of this spectroscopy by extracting the hidden resonance from the spectrum of a complex nanostructure.

  4. Nonlinear infrared spectroscopy free from spectral selection

    CERN Document Server

    Paterova, Anna; Kalashnikov, Dmitry; Krivitsky, Leonid

    2016-01-01

    Infrared (IR) spectroscopy is an indispensable tool for many practical applications including material analysis and sensing. Existing IR spectroscopy techniques face challenges related to the inferior performance and the high cost of IR-grade components. Here, we develop a new method, which allows studying properties of materials in the IR range using only visible light optics and detectors. It is based on the nonlinear interference of entangled photons, generated via Spontaneous Parametric Down Conversion (SPDC). In our interferometer, the phase of the signal photon in the visible range depends on the phase of an entangled IR photon. When the IR photon is traveling through the media, its properties can be found from observations of the visible photon. We directly acquire the SPDC signal with a visible range CCD camera and use a numerical algorithm to infer the absorption coefficient and the refraction index of the sample in the IR range. Our method does not require the use of a spectrometer and a slit, thus ...

  5. Nonlinear infrared spectroscopy free from spectral selection

    Science.gov (United States)

    Paterova, Anna; Lung, Shaun; Kalashnikov, Dmitry A.; Krivitsky, Leonid A.

    2017-02-01

    Infrared (IR) spectroscopy is an indispensable tool for many practical applications including material analysis and sensing. Existing IR spectroscopy techniques face challenges related to the inferior performance and the high cost of IR-grade components. Here, we develop a new method, which allows studying properties of materials in the IR range using only visible light optics and detectors. It is based on the nonlinear interference of entangled photons, generated via Spontaneous Parametric Down Conversion (SPDC). In our interferometer, the phase of the signal photon in the visible range depends on the phase of an entangled IR photon. When the IR photon is traveling through the media, its properties can be found from observations of the visible photon. We directly acquire the SPDC signal with a visible range CCD camera and use a numerical algorithm to infer the absorption coefficient and the refraction index of the sample in the IR range. Our method does not require the use of a spectrometer and a slit, thus it allows achieving higher signal-to-noise ratio than the earlier developed method.

  6. Nonlinear infrared spectroscopy free from spectral selection.

    Science.gov (United States)

    Paterova, Anna; Lung, Shaun; Kalashnikov, Dmitry A; Krivitsky, Leonid A

    2017-02-20

    Infrared (IR) spectroscopy is an indispensable tool for many practical applications including material analysis and sensing. Existing IR spectroscopy techniques face challenges related to the inferior performance and the high cost of IR-grade components. Here, we develop a new method, which allows studying properties of materials in the IR range using only visible light optics and detectors. It is based on the nonlinear interference of entangled photons, generated via Spontaneous Parametric Down Conversion (SPDC). In our interferometer, the phase of the signal photon in the visible range depends on the phase of an entangled IR photon. When the IR photon is traveling through the media, its properties can be found from observations of the visible photon. We directly acquire the SPDC signal with a visible range CCD camera and use a numerical algorithm to infer the absorption coefficient and the refraction index of the sample in the IR range. Our method does not require the use of a spectrometer and a slit, thus it allows achieving higher signal-to-noise ratio than the earlier developed method.

  7. Laboratory measurements for the wavelength dependence of the linear polarization with the PROGRA2 instruments

    Science.gov (United States)

    Renard, Jean-Baptiste; Hadamcik, Edith; Levasseur-Regourd, Anny-Chantal; Carrasco, Nathalie; Couté, Benoit; Duverger, Vincent; Guerrini, Vincent

    2017-04-01

    Clouds of solid particles are present in many regions of the Solar System (comets, interplanetary dust cloud, planetary atmospheres). These clouds can be remotely studied by the light they scatter. There is a need for a data base of the light scattered by a large variety of samples at different wavelengths to interpret such measurements. The PROGRA2 instruments are used for this purpose. The PROGRA2 instruments, PROGRA2-VIS and PROGRA2-IR, are imaging polarimeters with a rotating arm to change the phase angle (angle between directions of illumination and observation). They allow to retrieve the complete polarization phase function between 10° and 165°. The light sources are at around 550 and 650 nm for PROGRA2-VIS, and 1000 and 1500 nm for PROGRA2-IR. The detectors are cameras, with a spatial resolution between 20 and 40 micrometers per pixel (PROGRA2-IR uses now new high sensitivity cameras). Measurements are conducted in the laboratory by an air draught technique for grains smaller than about 20 micrometers (which can be included in porous aggregates), and during parabolic flights on-board the A300 ZeroG and now the A310 ZeroG for larger grains; these flights campaigns are funded by the French and European Space Agencies. Hundreds of scattering phase functions have been obtained since 20 years, for a large number of samples (sands, silicon carbide, basalt, volcanic ashes, lunar and Martian simulants, tholins, meteoritic material, black carbon, carbonaceous compounds, …); the main results are available at www.icare.univ-lille1.fr/progra2/. Several samples have been already studied by the two instruments, showing a large diversity of wavelength dependences, from close-to-zero dependence for yellow and ocher sand grains to high dependence for silicon carbide and anthracite grains. These variations should be related to the wavelength dependence of the real and imaginary parts of the refractive index of the particles. We present a summary of the main results of

  8. Light sensitive memristor with bi-directional and wavelength-dependent conductance control

    Energy Technology Data Exchange (ETDEWEB)

    Maier, P.; Hartmann, F., E-mail: fabian.hartmann@physik.uni-wuerzburg.de; Emmerling, M.; Schneider, C.; Kamp, M.; Worschech, L. [Technische Physik and Wilhelm Conrad Röntgen Research Center for Complex Material Systems, Physikalisches Institut, Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Rebello Sousa Dias, M. [Departamento de Fisica, Universidade Federal de São Carlos, 13565-905 São Carlos, São Paulo (Brazil); Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742 (United States); Castelano, L. K.; Marques, G. E.; Lopez-Richard, V. [Departamento de Fisica, Universidade Federal de São Carlos, 13565-905 São Carlos, São Paulo (Brazil); Höfling, S. [Technische Physik and Wilhelm Conrad Röntgen Research Center for Complex Material Systems, Physikalisches Institut, Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); SUPA, School of Physics and Astronomy, University of St. Andrews, St. Andrews KY16 9SS (United Kingdom)

    2016-07-11

    We report the optical control of localized charge on positioned quantum dots in an electro-photo-sensitive memristor. Interband absorption processes in the quantum dot barrier matrix lead to photo-generated electron-hole-pairs that, depending on the applied bias voltage, charge or discharge the quantum dots and hence decrease or increase the conductance. Wavelength-dependent conductance control is observed by illumination with red and infrared light, which leads to charging via interband and discharging via intraband absorption. The presented memristor enables optical conductance control and may thus be considered for sensory applications in artificial neural networks as light-sensitive synapses or optically tunable memories.

  9. Role of wavelength dependent sensitivity in affecting the crosstalk mitigation of homogeneous multicore fiber: an analytical estimation approach.

    Science.gov (United States)

    Li, Borui; Fu, Songnian; Tang, Ming; Cheng, Yu; Wei, Huifeng; Tong, Weijun; Shum, P; Liu, Deming

    2014-06-16

    The mitigation of both crosstalk and its wavelength dependent sensitivity for homogeneous multicore fiber (MCF) is theoretically investigated using an analytical evaluation approach. It is found there exists a performance trade-off between the crosstalk mitigation and its wavelength dependent sensitivity suppression. After characterizing the fabricated homogeneous MCFs, we verify that although the increasing core pitch can mitigate the crosstalk, the wavelength dependent sensitivity is drastically degraded from 0.07dB/nm to 0.11dB/nm, which is harmful to the dense wavelength division multiplexing (DWDM) transmission over C + L band using MCF.

  10. Emission-wavelength-dependent decay of the fluorescent probe N-phenyl-1-naphthylamine.

    Science.gov (United States)

    Matayoshi, E D; Kleinfeld, A M

    1981-06-22

    We have measured the fluorescence decay of N-phenyl-1-naphthylamine using the phase-modulation method, in several solvent systems and egg phosphatidylcholine vesicles. The decay is monoexponential in pure solvents (both polar and non-polar) of low viscosity. In polar viscous solvents or in non-polar solvents containing an added polar solute, the decay is heterogeneous and emission wavelength dependent. In such cases, dielectric relaxation and/or excited-rate complexing give rise to a shift of the emission spectrum on the nanosecond time scale. Emission-wavelength-dependent decay was also observed when N-phenyl-1-naphthylamine was bound to egg phosphatidylcholine vesicles. From these results as well as the position of the emission spectral maximum, we conclude that N-phenyl-1-naphthylamine probes the ester-carbonyl region of the phospholipid acyl chains, where it undergoes an excited-state reaction. This result contradicts the often made assumption that N-phenyl-1-naphthylamine probes the deeper hydrocarbon region of the bilayer.

  11. Light-emitting-diode induced retinal damage and its wavelength dependency in vivo.

    Science.gov (United States)

    Shang, Yu-Man; Wang, Gen-Shuh; Sliney, David H; Yang, Chang-Hao; Lee, Li-Ling

    2017-01-01

    To examine light-emitting-diode (LED)-induced retinal neuronal cell damage and its wavelength-driven pathogenic mechanisms. Sprague-Dawley rats were exposed to blue LEDs (460 nm), green LEDs (530 nm), and red LEDs (620 nm). Electroretinography (ERG), Hematoxylin and eosin (H&E) staining, transmission electron microscopy (TEM), terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL), and immunohistochemical (IHC) staining, Western blotting (WB) and the detection of superoxide anion (O2(-)·), hydrogen peroxide (H2O2), total iron, and ferric (Fe(3+)) levels were applied. ERG results showed the blue LED group induced more functional damage than that of green or red LED groups. H&E staining, TUNEL, IHC, and TEM revealed apoptosis and necrosis of photoreceptors and RPE, which indicated blue LED also induced more photochemical injury. Free radical production and iron-related molecular marker expressions demonstrated that oxidative stress and iron-overload were associated with retinal injury. WB assays correspondingly showed that defense gene expression was up-regulated after the LED light exposure with a wavelength dependency. The study results indicate that LED blue-light exposure poses a great risk of retinal injury in awake, task-oriented rod-dominant animals. The wavelength-dependent effect should be considered carefully when switching to LED lighting applications.

  12. Light-emitting-diode induced retinal damage and its wavelength dependency in vivo

    Science.gov (United States)

    Shang, Yu-Man; Wang, Gen-Shuh; Sliney, David H.; Yang, Chang-Hao; Lee, Li-Ling

    2017-01-01

    AIM To examine light-emitting-diode (LED)-induced retinal neuronal cell damage and its wavelength-driven pathogenic mechanisms. METHODS Sprague-Dawley rats were exposed to blue LEDs (460 nm), green LEDs (530 nm), and red LEDs (620 nm). Electroretinography (ERG), Hematoxylin and eosin (H&E) staining, transmission electron microscopy (TEM), terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL), and immunohistochemical (IHC) staining, Western blotting (WB) and the detection of superoxide anion (O2−·), hydrogen peroxide (H2O2), total iron, and ferric (Fe3+) levels were applied. RESULTS ERG results showed the blue LED group induced more functional damage than that of green or red LED groups. H&E staining, TUNEL, IHC, and TEM revealed apoptosis and necrosis of photoreceptors and RPE, which indicated blue LED also induced more photochemical injury. Free radical production and iron-related molecular marker expressions demonstrated that oxidative stress and iron-overload were associated with retinal injury. WB assays correspondingly showed that defense gene expression was up-regulated after the LED light exposure with a wavelength dependency. CONCLUSION The study results indicate that LED blue-light exposure poses a great risk of retinal injury in awake, task-oriented rod-dominant animals. The wavelength-dependent effect should be considered carefully when switching to LED lighting applications. PMID:28251076

  13. Photon wavelength dependent valley photocurrent in multilayer MoS2

    Science.gov (United States)

    Guan, Hongming; Tang, Ning; Xu, Xiaolong; Shang, LiangLiang; Huang, Wei; Fu, Lei; Fang, Xianfa; Yu, Jiachen; Zhang, Caifeng; Zhang, Xiaoyue; Dai, Lun; Chen, Yonghai; Ge, Weikun; Shen, Bo

    2017-12-01

    The degree of freedom (DOF) of the K (K') valley in transition-metal dichalcogenides, especially molybdenum disulfide (MoS2), offers an opportunity for next-generation valleytronics devices. In this work, the K (K') valley DOF of multilayer MoS2 is studied by means of the photon wavelength dependent circular photogalvanic effect (CPGE) at room temperature upon a strong external out-of-plane electric field induced by an ionic liquid (IL) gate, which breaks the spatial-inversion symmetry. It is demonstrated that only on resonant excitations in the K (K') valley can the valley-related CPGE signals in multilayer MoS2 with an IL gate be detected, indicating that the valley contrast is indeed regenerated between the K and K' valleys when the electric field is applied. As expected, it can also be seen that the K (K') valley DOF in multilayer MoS2 can be modulated by the external electric field. The observation of photon wavelength dependent valley photocurrent in multilayer MoS2, with the help of better Ohmic contacts, may pave a way for optoelectronic applications of valleytronics in the future.

  14. Stromal alterations in ovarian cancers via wavelength dependent Second Harmonic Generation microscopy and optical scattering.

    Science.gov (United States)

    Tilbury, Karissa B; Campbell, Kirby R; Eliceiri, Kevin W; Salih, Sana M; Patankar, Manish; Campagnola, Paul J

    2017-02-06

    Ovarian cancer remains the most deadly gynecological cancer with a poor aggregate survival rate; however, the specific rates are highly dependent on the stage of the disease upon diagnosis. Current screening and imaging tools are insufficient to detect early lesions and are not capable of differentiating the subtypes of ovarian cancer that may benefit from specific treatments. As an alternative to current screening and imaging tools, we utilized wavelength dependent collagen-specific Second Harmonic Generation (SHG) imaging microscopy and optical scattering measurements to probe the structural differences in the extracellular matrix (ECM) of normal stroma, benign tumors, endometrioid tumors, and low and high-grade serous tumors. The SHG signatures of the emission directionality and conversion efficiency as well as the optical scattering are related to the organization of collagen on the sub-micron size scale and encode structural information. The wavelength dependence of these readouts adds additional characterization of the size and distribution of collagen fibrils/fibers relative to the interrogating wavelengths. We found a strong wavelength dependence of these metrics that are related to significant structural differences in the collagen organization and are consistent with the dualistic classification of type I and II serous tumors. Moreover, type I endometrioid tumors have strongly differing ECM architecture than the serous malignancies. The SHG metrics and optical scattering measurements were used to form a linear discriminant model to classify the tissues, and we obtained high accuracy (>90%) between high-grade serous tumors from the other tissue types. High-grade serous tumors account for ~70% of ovarian cancers, and this delineation has potential clinical applications in terms of supplementing histological analysis, understanding the etiology, as well as development of an in vivo screening tool. SHG and optical scattering measurements provide sub

  15. Multiple scattering wavelength dependent backscattering of kaolin dust in the IR: Measurements and theory

    Science.gov (United States)

    Ben-David, Avishai

    1992-01-01

    Knowing the optical properties of aerosol dust is important for designing electro-optical systems and for modeling the effect on propagation of light in the atmosphere. As CO2 lidar technology becomes more advanced and is used for multiwavelength measurements, information on the wavelength dependent backscattering of aerosol dust particles is required. The volume backscattering coefficient of aerosols in the IR is relatively small. Thus, only a few field measurements of backscattering, usually at only a few wavelengths, are reported in the literature. We present spectral field measurements of backscattering of kaolin dust in the 9-11 micron wavelength range. As the quantity of dust increases, multiple scattering contributes more to the measured backscattered signal. The measurements show the effect of the dust quantity of the spectral backscatter measurements. A simple analytical two stream radiative transfer model is applied to confirm the measurements and to give insight to the multiple scattering spectra of backscattering.

  16. Wavelength Dependence of the Polarization Singularities in a Two-Mode Optical Fiber

    Directory of Open Access Journals (Sweden)

    V. V. G. Krishna Inavalli

    2012-01-01

    Full Text Available We present here an experimental demonstration of the wavelength dependence of the polarization singularities due to linear combination of the vector modes excited directly in a two-mode optical fiber. The coherent superposition of the vector modes excited by linearly polarized Gaussian beam as offset skew rays propagated in a helical path inside the fiber results in the generation of phase singular beams with edge dislocation in the fiber output. The polarization character of these beams is found to change dramatically with wavelength—from left-handed elliptically polarized edge dislocation to right-handed elliptically polarized edge-dislocation through disclinations. The measured behaviour is understood as being due to intermodal dispersion of the polarization corrections to the propagating vector modes, as the wavelength of the input beam is scanned.

  17. Wavelength-dependent optical properties of melanosomes in retinal pigmented epithelium (Conference Presentation)

    Science.gov (United States)

    Yi, Ji; Zhang, Lei

    2017-02-01

    Melanosome is an organelle for synthesis, storage and transport the melanin, a major intrinsic pigment. In retinal pigmented epithelium (RPE), it is generally accepted that melanosome plays a critical photoprotective role, and it has been shown that that loss of melanin from RPE could be an early event towards age-related macular degeneration (AMD). Meanwhile, melanosome is also the major contributor to the optical properties of RPE, due to its high refractive index and the strong optical absorption of melanin. Therefore, a characterization and understanding the optical properties of melanin is of great interest to relate the physical and chemical changes of melanosomes, and their fundamental roles in RPE-related retinal diseases such as AMD. Here, we present a theoretical study to characterize the full optical properties of melanosomes. We modeled melanosomes as uniformly melanin filled spheroids, based on their morphology under transmission electron microscopy. T-matrix method was used to simulate the wavelength dependent total scattering, backscattering, absorption cross sections, and anisotropy factor. We verified our simulation on backscattering cross section of melanosome by comparing optical coherence tomography taken in visible and NIR ranges. In addition, we studied the changes of the optical properties of melanosomes on melanin bleaching. The results suggested a spectroscopic mechanism for optical detection of melanin loss by inverse spectroscopic optical coherence tomography.

  18. Spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.

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

  19. Red Light-Dose or Wavelength-Dependent Photoresponse of Antioxidants in Herb Microgreens.

    Directory of Open Access Journals (Sweden)

    Giedė Samuolienė

    Full Text Available The purpose of this study was to evaluate the role of 638-nm and 665-nm LEDs on changes of antioxidants of basil (Ocimum basilicum and parsley (Petroselinum crispum, and to assess the effect of light quality on antioxidative status. Plants were grown in peat substrate for 19 days (21/17 ±2°C, 16 h. Experiments were performed in (I a controlled-environment: B455,R638,R665,FR731(control; B455,R*638,R665,FR731; B455,R638,R*665,FR731; R638; R665 (B-blue, R- red, FR-far-red light. PPFD was set from 231 during growth, upto 300 μmol m-2 s-1 during 3-day treatment changing R638 or R665 PPFD level; in (II greenhouse (November: high-pressure sodium lamps (HPS (control-300 μmol m-2s-1; and HPS + 638 (HPS generated 90 and red LEDs-210 μmol m-2s-1. In general, under supplemental or increased red 638 nm light, amounts of tested antioxidants were greater in basil, whereas sole 665 nm or sole 638 nm is more favourable for parsley. Increased or supplemental red light significantly increased contents of phenolics, α-tocopherol, ascorbic acid and DPPH• but suppressed accumulation of lutein and β-carotene in basil, whereas an increase of β-carotene and DPPH• was observed in parsley. Hereby, the photoresponse of antioxidant compounds suggests that photoprotective mechanism is stimulated by both light-dose-dependent and wavelength-dependent reactions.

  20. Attacking a practical quantum-key-distribution system with wavelength-dependent beam-splitter and multiwavelength sources

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hong-Wei [Key Laboratory of Quantum Information,University of Science and Technology of China, Hefei, 230026 (China); Zhengzhou Information Science and Technology Institute, Zhengzhou, 450004 (China); Wang, Shuang; Huang, Jing-Zheng; Chen, Wei; Yin, Zhen-Qiang; Li, Fang-Yi; Zhou, Zheng; Liu, Dong; Zhang, Yang; Guo, Guang-Can; Han, Zheng-Fu [Key Laboratory of Quantum Information,University of Science and Technology of China, Hefei, 230026 (China); Bao, Wan-Su [Zhengzhou Information Science and Technology Institute, Zhengzhou, 450004 (China)

    2011-12-15

    It is well known that the unconditional security of quantum-key distribution (QKD) can be guaranteed by quantum mechanics. However, practical QKD systems have some imperfections, which can be controlled by the eavesdropper to attack the secret key. With current experimental technology, a realistic beam splitter, made by fused biconical technology, has a wavelength-dependent property. Based on this fatal security loophole, we propose a wavelength-dependent attacking protocol, which can be applied to all practical QKD systems with passive state modulation. Moreover, we experimentally attack a practical polarization encoding QKD system to obtain all the secret key information at the cost of only increasing the quantum bit error rate from 1.3 to 1.4%.

  1. Roughened glass slides and a spectrophotometer for the detection of the wavelength-dependent refractive index of transparent liquids.

    Science.gov (United States)

    Niskanen, Ilpo; Räty, Jukka; Myllylä, Risto; Sutinen, Veijo; Matsuda, Kiyofumi; Homma, Kazuhiro; Silfsten, Pertti; Peiponen, Kai-Erik

    2012-07-01

    We describe a method to determine the wavelength-dependent refractive index of liquids by measurement of light transmittance with a spectrophotometer. The method is based on using roughened glass slides with different a priori known refractive indices and immersing the slides into the transparent liquid with unknown refractive index. Using the dispersion data on the glass material it is possible to find the index match between the liquid and the glass slide, and hence the refractive index of the liquid.

  2. Variable selection in near-infrared spectroscopy: benchmarking of feature selection methods on biodiesel data.

    Science.gov (United States)

    Balabin, Roman M; Smirnov, Sergey V

    2011-04-29

    During the past several years, near-infrared (near-IR/NIR) spectroscopy has increasingly been adopted as an analytical tool in various fields from petroleum to biomedical sectors. The NIR spectrum (above 4000 cm(-1)) of a sample is typically measured by modern instruments at a few hundred of wavelengths. Recently, considerable effort has been directed towards developing procedures to identify variables (wavelengths) that contribute useful information. Variable selection (VS) or feature selection, also called frequency selection or wavelength selection, is a critical step in data analysis for vibrational spectroscopy (infrared, Raman, or NIRS). In this paper, we compare the performance of 16 different feature selection methods for the prediction of properties of biodiesel fuel, including density, viscosity, methanol content, and water concentration. The feature selection algorithms tested include stepwise multiple linear regression (MLR-step), interval partial least squares regression (iPLS), backward iPLS (BiPLS), forward iPLS (FiPLS), moving window partial least squares regression (MWPLS), (modified) changeable size moving window partial least squares (CSMWPLS/MCSMWPLSR), searching combination moving window partial least squares (SCMWPLS), successive projections algorithm (SPA), uninformative variable elimination (UVE, including UVE-SPA), simulated annealing (SA), back-propagation artificial neural networks (BP-ANN), Kohonen artificial neural network (K-ANN), and genetic algorithms (GAs, including GA-iPLS). Two linear techniques for calibration model building, namely multiple linear regression (MLR) and partial least squares regression/projection to latent structures (PLS/PLSR), are used for the evaluation of biofuel properties. A comparison with a non-linear calibration model, artificial neural networks (ANN-MLP), is also provided. Discussion of gasoline, ethanol-gasoline (bioethanol), and diesel fuel data is presented. The results of other spectroscopic

  3. Variable selection in near-infrared spectroscopy: Benchmarking of feature selection methods on biodiesel data

    Energy Technology Data Exchange (ETDEWEB)

    Balabin, Roman M., E-mail: balabin@org.chem.ethz.ch [Department of Chemistry and Applied Biosciences, ETH Zurich, 8093 Zurich (Switzerland); Smirnov, Sergey V. [Unimilk Joint Stock Co., 143421 Moscow Region (Russian Federation)

    2011-04-29

    During the past several years, near-infrared (near-IR/NIR) spectroscopy has increasingly been adopted as an analytical tool in various fields from petroleum to biomedical sectors. The NIR spectrum (above 4000 cm{sup -1}) of a sample is typically measured by modern instruments at a few hundred of wavelengths. Recently, considerable effort has been directed towards developing procedures to identify variables (wavelengths) that contribute useful information. Variable selection (VS) or feature selection, also called frequency selection or wavelength selection, is a critical step in data analysis for vibrational spectroscopy (infrared, Raman, or NIRS). In this paper, we compare the performance of 16 different feature selection methods for the prediction of properties of biodiesel fuel, including density, viscosity, methanol content, and water concentration. The feature selection algorithms tested include stepwise multiple linear regression (MLR-step), interval partial least squares regression (iPLS), backward iPLS (BiPLS), forward iPLS (FiPLS), moving window partial least squares regression (MWPLS), (modified) changeable size moving window partial least squares (CSMWPLS/MCSMWPLSR), searching combination moving window partial least squares (SCMWPLS), successive projections algorithm (SPA), uninformative variable elimination (UVE, including UVE-SPA), simulated annealing (SA), back-propagation artificial neural networks (BP-ANN), Kohonen artificial neural network (K-ANN), and genetic algorithms (GAs, including GA-iPLS). Two linear techniques for calibration model building, namely multiple linear regression (MLR) and partial least squares regression/projection to latent structures (PLS/PLSR), are used for the evaluation of biofuel properties. A comparison with a non-linear calibration model, artificial neural networks (ANN-MLP), is also provided. Discussion of gasoline, ethanol-gasoline (bioethanol), and diesel fuel data is presented. The results of other spectroscopic

  4. Influence of the Wavelength Dependence of Birefringence in the Generation of Supercontinuum and Dispersive Wave in Fiber Optics

    Directory of Open Access Journals (Sweden)

    Rodrigo Acuna Herrera

    2017-01-01

    Full Text Available In this paper, we perform numerical analysis about the influence of the wavelength dependence of birefringence (WDB in the Supercontinuum (SC and dispersive wave (DW generation. We study different birefringence profiles such as constant, linear, and parabolic. We see that, for a linear and parabolic profile, the generation of SC practically does not change, while this does so when the constant value of the birefringence varies. Similar situation happens with the generation of dispersive waves. In addition, we observe that the broadband of the SC increases when the Stimulated Raman Scattering (SRS is neglected for all WDB profiles.

  5. Tunable Impedance Spectroscopy Sensors via Selective Nanoporous Materials.

    Energy Technology Data Exchange (ETDEWEB)

    Nenoff, Tina M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Small, Leo J [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-09-01

    Impedance spectroscopy was leveraged to directly detect the sorption of I 2 by selective adsorption into nanoporous metal organic frameworks (MOF). Films of three different types of MOF frameworks, respectively, were drop cast onto platinum interdigitated electrodes, dried, and exposed to gaseous I 2 at 25, 40, or 70 C. The MOF frameworks varied in topology from small pores (equivalent to I 2 diameter) to large pore frameworks. The combination of the chemistry of the framework and pore size dictated quantity and kinetics of I 2 adsorption. Air, argon, methanol, and water were found to produce minimal changes in ZIF-8 impedance. Independent of MOF framework characteristics, all resultant sensors showed high response to I 2 in air. As an example of sensor output, I 2 was readily detected at 25 C in air within 720 s of exposure, using an un-optimized sensor geometry with a small pored MOF. Further optimization of sensor geometry, decreasing MOF film thicknesses and maximizing sensor capacitance, will enable faster detection of trace I 2 .

  6. Solutions to selected exercise problems in quantum chemistry and spectroscopy

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens

    2016-01-01

    Suggested solutions to a number of problems from the collection "Exercise Problems in Quantum Chemistry and Spectroscopy", previously published on ResearchGate (DOI: 10.13140/RG.2.1.4024.8162).......Suggested solutions to a number of problems from the collection "Exercise Problems in Quantum Chemistry and Spectroscopy", previously published on ResearchGate (DOI: 10.13140/RG.2.1.4024.8162)....

  7. Wavelength Dependence of Solar Irradiance Enhancement During X-Class Flares and Its Influence on the Upper Atmosphere

    Science.gov (United States)

    Huang, Yanshi; Richmond, Arthur D.; Deng, Yue; Chamberlin, Phillip C.; Qian, Liying; Solomon, Stanley C.; Roble, Raymond G.; Xiao, Zuo

    2013-01-01

    The wavelength dependence of solar irradiance enhancement during flare events is one of the important factors in determining how the Thermosphere-Ionosphere (T-I) system responds to flares. To investigate the wavelength dependence of flare enhancement, the Flare Irradiance Spectral Model (FISM) was run for 61 X-class flares. The absolute and the percentage increases of solar irradiance at flare peaks, compared to pre-flare conditions, have clear wavelength dependences. The 0-14 nm irradiance increases much more (approx. 680% on average) than that in the 14-25 nm waveband (approx. 65% on average), except at 24 nm (approx. 220%). The average percentage increases for the 25-105 nm and 122-190 nm wavebands are approx. 120% and approx. 35%, respectively. The influence of 6 different wavebands (0-14 nm, 14-25 nm, 25-105 nm, 105- 120 nm, 121.56 nm, and 122-175 nm) on the thermosphere was examined for the October 28th, 2003 flare (X17-class) event by coupling FISM with the National Center for Atmospheric Research (NCAR) Thermosphere-Ionosphere-Electrodynamics General Circulation Model (TIE-GCM) under geomagnetically quiet conditions (Kp=1). While the enhancement in the 0-14 nm waveband caused the largest enhancement of the globally integrated solar heating, the impact of solar irradiance enhancement on the thermosphere at 400 km is largest for the 25-105 nm waveband (EUV), which accounts for about 33 K of the total 45 K temperature enhancement, and approx. 7.4% of the total approx. 11.5% neutral density enhancement. The effect of 122-175 nm flare radiation on the thermosphere is rather small. The study also illustrates that the high-altitude thermospheric response to the flare radiation at 0-175 nm is almost a linear combination of the responses to the individual wavebands. The upper thermospheric temperature and density enhancements peaked 3-5 h after the maximum flare radiation.

  8. Wavelength dependence of sub-laser-cycle few-electron dynamics in strong-field multiple ionization

    Energy Technology Data Exchange (ETDEWEB)

    Herrwerth, O; Rudenko, A; Kremer, M; Jesus, V L B de; Fischer, B; Gademann, G; Simeonidis, K; Achtelik, A; Ergler, Th; Feuerstein, B; Schroeter, C D; Moshammer, R; Ullrich, J [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg (Germany)], E-mail: Artem.Rudenko@mpi-hd.mpg.de

    2008-02-15

    Recoil-ion momentum distributions for double and triple ionization of Ne and Ar, as well as for double ionization of N{sub 2} molecule by intense (0.3-0.5 PW cm{sup -2}), short ({approx}35-40 fs) laser pulses have been recorded in a so far unexplored long laser-wavelength regime at 1300 nm. Compared to earlier results at 800 nm, the direct (e, ne) ionization pathway during recollision is strongly enhanced manifesting itself in a pronounced double-hump structure in the longitudinal ion momentum spectra not only for Ne, but also surprisingly distinct for Ar and, found for the first time, for molecules. Observed wavelength dependence of the sub-laser-cycle correlated few-electron dynamics might be of paramount importance for possible future applications in attosecond science, in particular, for imaging of ultrafast molecular processes via recollision-induced fragmentation.

  9. Wavelength-dependent optical properties of melanosomes in retinal pigmented epithelium and their changes with melanin bleaching: a numerical study.

    Science.gov (United States)

    Song, Weiye; Zhang, Lei; Ness, Steve; Yi, Ji

    2017-09-01

    In this paper, we present the first numerical study on full metrics of wavelength-dependent optical properties of melanosomes in retinal pigmented epithelial (RPE) cells. T-matrix method was used to simulate the spheroidal shapes of mature melanosomes, and the complex refractive index was calculated by a subtractive Kramers-Kronig relation for melanin. The validity of the method was first confirmed by Mie theory, and corroborated by a comparison between visible light and near infrared (NIR) optical coherence tomography (OCT) on human retinal imaging. We also studied the changes of melanosome optical properties due to melanin bleaching by numerically reducing the absorption of melanin. This study implies a unique approach to detect melanin changes specifically in RPE by a spectroscopic contrast of optical coherence tomography.

  10. Excitation wavelength dependence of water-window line emissions from boron-nitride laser-produced plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Crank, M.; Harilal, S. S.; Hassan, S. M.; Hassanein, A. [Center for Materials Under Extreme Environment, School of Nuclear Engineering, Purdue University, West Lafayette, Indiana 47907 (United States)

    2012-02-01

    We investigated the effects of laser excitation wavelength on water-window emission lines of laser-produced boron-nitride plasmas. Plasmas are produced by focusing 1064 nm and harmonically generated 532 and 266 nm radiation from a Nd:YAG laser on BN target in vacuum. Soft x-ray emission lines in the water-window region are recorded using a grazing-incidence spectrograph. Filtered photodiodes are used to obtain complementary data for water-window emission intensity and angular dependence. Spectral emission intensity changes in nitrogen Ly-{alpha} and He-{alpha} are used to show how laser wavelength affects emission. Our results show that the relative intensity of spectral lines is laser wavelength dependent, with the ratio of Ly-{alpha} to He-{alpha} emission intensity decreasing as laser wavelength is shortened. Filtered photodiode measurements of angular dependence showed that 266 and 532 nm laser wavelengths produce uniform emission.

  11. Excitation wavelength dependence of water-window line emissions from boron-nitride laser-produced plasmas

    Science.gov (United States)

    Crank, M.; Harilal, S. S.; Hassan, S. M.; Hassanein, A.

    2012-02-01

    We investigated the effects of laser excitation wavelength on water-window emission lines of laser-produced boron-nitride plasmas. Plasmas are produced by focusing 1064 nm and harmonically generated 532 and 266 nm radiation from a Nd:YAG laser on BN target in vacuum. Soft x-ray emission lines in the water-window region are recorded using a grazing-incidence spectrograph. Filtered photodiodes are used to obtain complementary data for water-window emission intensity and angular dependence. Spectral emission intensity changes in nitrogen Ly-α and He-α are used to show how laser wavelength affects emission. Our results show that the relative intensity of spectral lines is laser wavelength dependent, with the ratio of Ly-α to He-α emission intensity decreasing as laser wavelength is shortened. Filtered photodiode measurements of angular dependence showed that 266 and 532 nm laser wavelengths produce uniform emission.

  12. Light at night acutely impairs glucose tolerance in a time-, intensity- and wavelength-dependent manner in rats.

    Science.gov (United States)

    Opperhuizen, Anne-Loes; Stenvers, Dirk J; Jansen, Remi D; Foppen, Ewout; Fliers, Eric; Kalsbeek, Andries

    2017-07-01

    Exposure to light at night (LAN) has increased dramatically in recent decades. Animal studies have shown that chronic dim LAN induced obesity and glucose intolerance. Furthermore, several studies in humans have demonstrated that chronic exposure to artificial LAN may have adverse health effects with an increased risk of metabolic disorders, including type 2 diabetes. It is well-known that acute exposure to LAN affects biological clock function, hormone secretion and the activity of the autonomic nervous system, but data on the effects of LAN on glucose homeostasis are lacking. This study aimed to investigate the acute effects of LAN on glucose metabolism. Male Wistar rats were subjected to i.v. glucose or insulin tolerance tests while exposed to 2 h of LAN in the early or late dark phase. In subsequent experiments, different light intensities and wavelengths were used. LAN exposure early in the dark phase at ZT15 caused increased glucose responses during the first 20 min after glucose infusion (p effect of LAN was both intensity- and wavelength-dependent. White light of 50 and 150 lx induced greater glucose responses than 5 and 20 lx, whereas all intensities other than 5 lx reduced locomotor activity. Green light induced glucose intolerance, but red and blue light did not, suggesting the involvement of a specific retina-brain pathway. Together, these data show that exposure to LAN has acute adverse effects on glucose metabolism in a time-, intensity- and wavelength-dependent manner.

  13. Wavelength dependent SHG imaging and scattering probes of extracellular matrix (ECM) alterations in ovarian cancer (Conference Presentation)

    Science.gov (United States)

    Campagnola, Paul J.; Tilbury, Karissa B.; Campbell, Kirby R.; Eliceiri, Kevin W.; Patankar, Manish

    2017-02-01

    Ovarian cancer remains the most deadly gynecological cancer with a poor aggregate survival rate. To improve upon this situation, we utilized collagen-specific Second Harmonic Generation (SHG) imaging microscopy and optical scattering measurements to probe structural differences in the extracellular matrix of normal stroma, benign tumors, endometrioid tumors, and low and high-grade serous (LGS and HGS) tumors. The SHG signatures of the emission directionality and conversion efficiency as well as the optical scattering are related to the organization of collagen on the sub-micron size. The wavelength dependence of these readouts adds additional characterization of the size and distribution of collagen fibrils/fibers relative to the interrogating wavelengths. We found strong wavelength dependent dependencies of these metrics that were different between the different tumors that are related to respective structural attributes in the collagen organization. These sub-resolution determinations are consistent with the dualistic classification of type I and II serous tumors. However, type I endometrioid tumors have strongly differing ECM architecture than the serous malignancies. Moreover, our analyses are further consistent with LGS and benign tumors having similar etiology. We identified optimal wavelengths for the SHG metrics as well as optical scattering measurements. The SHG metrics and optical scattering measurements were then used to form a linear discriminant model to classify the tissues, and we obtained high accuracy ( 90%) between the tissue types. This delineation is superior to current clinical performance and has potential applicability in supplementing histological analysis, understanding the etiology, as well as development of an in vivo screening tool.

  14. Excitation wavelength dependence

    Indian Academy of Sciences (India)

    WINTEC

    phobic location whose polarity is intermediate be- tween cyclohexane and ethyl acetate. The 530 nm emission peak of C153 may arise from a polar and hydrophilic region which is similar to ethanol. The relative intensity (area) of the two emission spectra. (A480/A530) decreases from 3⋅5 at λex = 375 nm to 0.6 at λex = 435 ...

  15. Satellite-based evidence of wavelength-dependent aerosol absorption in biomass burning smoke inferred from Ozone Monitoring Instrument

    Directory of Open Access Journals (Sweden)

    H. Jethva

    2011-10-01

    Full Text Available We provide satellite-based evidence of the spectral dependence of absorption in biomass burning aerosols over South America using near-UV measurements made by the Ozone Monitoring Instrument (OMI during 2005–2007. In the current near-UV OMI aerosol algorithm (OMAERUV, it is implicitly assumed that the only absorbing component in carbonaceous aerosols is black carbon whose imaginary component of the refractive index is wavelength independent. With this assumption, OMI-derived aerosol optical depth (AOD is found to be significantly over-estimated compared to that of AERONET at several sites during intense biomass burning events (August-September. Other well-known sources of error affecting the near-UV method of aerosol retrieval do not explain the large observed AOD discrepancies between the satellite and the ground-based observations. A number of studies have revealed strong spectral dependence in carbonaceous aerosol absorption in the near-UV region suggesting the presence of organic carbon in biomass burning generated aerosols. A sensitivity analysis examining the importance of accounting for the presence of wavelength-dependent aerosol absorption in carbonaceous particles in satellite-based remote sensing was carried out in this work. The results convincingly show that the inclusion of spectrally-dependent aerosol absorption in the radiative transfer calculations leads to a more accurate characterization of the atmospheric load of carbonaceous aerosols. The use of a new set of aerosol models assuming wavelength-dependent aerosol absorption in the near-UV region (Absorption Angstrom Exponent λ−2.5 to −3.0 improved the OMAERUV retrieval results by significantly reducing the AOD bias observed when gray aerosols were assumed. In addition, the new retrieval of single-scattering albedo is in better agreement with those of AERONET within the uncertainties (ΔSSA = ±0.03. The new colored carbonaceous aerosol model was also found to

  16. Phase-space perspective on the wavelength-dependent electron correlation of strong-field double ionization of Xe

    Science.gov (United States)

    Shao, Yun; Yuan, Zongqiang; Ye, Difa; Fu, Libin; Liu, Ming-Ming; Sun, Xufei; Wu, Chengyin; Liu, Jie; Gong, Qihuang; Liu, Yunquan

    2017-12-01

    We measure the wavelength-dependent correlated-electron momentum (CEM) spectra of strong-field double ionization of Xe atoms, and observe a significant change from a roughly nonstructured (uncorrelated) pattern at 795 nm to an elongated distribution with V-shaped structure (correlated) at higher wavelengths of 1320 and 1810 nm, pointing to the transition of the ionization dynamics imprinted in the momentum distributions. These observations are well reproduced by a semiclassical model using Green–Sellin–Zachor potential to take into account the screening effect. We show that the momentum distribution of Xe2+ undergoes a bifurcation structure emerging from single-hump to double-hump structure as the laser wavelength increases, which is dramatically different from that of He2+, indicating the complex multi-electron effect. By back analyzing the double ionization trajectories in the phase space (the initial transverse momentum and the laser phase at the tunneling exit) of the first tunneled electrons, we provide deep insight into the physical origin for electron correlation dynamics. We find that a random distribution in phase-space is responsible for a less distinct structured CEM spectrum at shorter wavelength. While increasing the laser wavelength, a topology-invariant pattern in phase-space appears, leading to the clearly visible V-shaped structures.

  17. Wavelength-dependent visible light response in vertically aligned nanohelical TiO2-based Schottky diodes

    Science.gov (United States)

    Kwon, Hyunah; Sung, Ji Ho; Lee, Yuna; Jo, Moon-Ho; Kim, Jong Kyu

    2018-01-01

    Enhancements in photocatalytic performance under visible light have been reported by noble metal functionalization on nanostructured TiO2; however, the non-uniform and discrete distribution of metal nanoparticles on the TiO2 surface makes it difficult to directly clarify the optical and electrical mechanisms. Here, we investigate the light absorption and the charge separation at the metal/TiO2 Schottky junctions by using a unique device architecture with an array of TiO2 nanohelixes (NHs) forming Schottky junctions both with Au-top and Pt-bottom electrodes. Wavelength-dependent photocurrent measurements through the Pt/TiO2 NHs/Au structures revealed that the origin of the visible light absorption and the separation of photogenerated carriers is the internal photoemission at the metal/nanostructured TiO2 Schottky junctions. In addition, a huge persistent photoconductivity was observed by the time-dependent photocurrent measurement, implying a long lifetime of the photogenerated carriers before recombination. We believe that the results help one to understand the role of metal functionalization on TiO2 and hence to enhance the photocatalytic efficiency by utilizing appropriately designed Schottky junctions.

  18. Microscopic Origin of the Valley Hall Effect in Transition Metal Dichalcogenides Revealed by Wavelength-Dependent Mapping

    Science.gov (United States)

    Ubrig, Nicolas; Jo, Sanghyun; Philippi, Marc; Costanzo, Davide; Berger, Helmuth; Kuzmenko, Alexey B.; Morpurgo, Alberto F.

    2017-09-01

    The band structure of many semiconducting monolayer transition metal dichalcogenides (TMDs) possesses two degenerate valleys, with equal and opposite Berry curvature. It has been predicted that, when illuminated with circularly polarized light, interband transitions generate an unbalanced non-equilibrium population of electrons and holes in these valleys, resulting in a finite Hall voltage at zero magnetic field when a current flows through the system. This is the so-called valley Hall effect that has recently been observed experimentally. Here, we show that this effect is mediated by photo-generated neutral excitons and charged trions, and not by inter-band transitions generating independent electrons and holes. We further demonstrate an experimental strategy, based on wavelength dependent spatial mapping of the Hall voltage, which allows the exciton and trion contributions to the valley Hall effect to be discriminated in the measurement. These results represent a significant step forward in our understanding of the microscopic origin of photo-induced valley Hall effect in semiconducting transition metal dichalcogenides, and demonstrate experimentally that composite quasi-particles, such as trions, can also possess a finite Berry curvature.

  19. Satellite-Based Evidence of Wavelength-Dependent Aerosol Absorption in Biomass Burning Smoke Inferred from Ozone Monitoring Instrument

    Science.gov (United States)

    Jethva, H.; Torres, O.

    2012-01-01

    We provide satellite-based evidence of the spectral dependence of absorption in biomass burning aerosols over South America using near-UV measurements made by the Ozone Monitoring Instrument (OMI) during 2005-2007. In the current near-UV OMI aerosol algorithm (OMAERUV), it is implicitly assumed that the only absorbing component in carbonaceous aerosols is black carbon whose imaginary component of the refractive index is wavelength independent. With this assumption, OMI-derived aerosol optical depth (AOD) is found to be significantly over-estimated compared to that of AERONET at several sites during intense biomass burning events (August-September). Other well-known sources of error affecting the near-UV method of aerosol retrieval do not explain the large observed AOD discrepancies between the satellite and the ground-based observations. A number of studies have revealed strong spectral dependence in carbonaceous aerosol absorption in the near-UV region suggesting the presence of organic carbon in biomass burning generated aerosols. A sensitivity analysis examining the importance of accounting for the presence of wavelength-dependent aerosol absorption in carbonaceous particles in satellite-based remote sensing was carried out in this work. The results convincingly show that the inclusion of spectrally-dependent aerosol absorption in the radiative transfer calculations leads to a more accurate characterization of the atmospheric load of carbonaceous aerosols.

  20. Excitation-wavelength-dependent small polaron trapping of photoexcited carriers in α-Fe2O3

    Science.gov (United States)

    Carneiro, Lucas M.; Cushing, Scott K.; Liu, Chong; Su, Yude; Yang, Peidong; Alivisatos, A. Paul; Leone, Stephen R.

    2017-08-01

    Small polaron formation is known to limit ground-state mobilities in metal oxide photocatalysts. However, the role of small polaron formation in the photoexcited state and how this affects the photoconversion efficiency has yet to be determined. Here, transient femtosecond extreme-ultraviolet measurements suggest that small polaron localization is responsible for the ultrafast trapping of photoexcited carriers in haematite (α-Fe2O3). Small polaron formation is evidenced by a sub-100 fs splitting of the Fe 3p core orbitals in the Fe M2,3 edge. The small polaron formation kinetics reproduces the triple-exponential relaxation frequently attributed to trap states. However, the measured spectral signature resembles only the spectral predictions of a small polaron and not the pre-edge features expected for mid-gap trap states. The small polaron formation probability, hopping radius and lifetime varies with excitation wavelength, decreasing with increasing energy in the t2g conduction band. The excitation-wavelength-dependent localization of carriers by small polaron formation is potentially a limiting factor in haematite's photoconversion efficiency.

  1. Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal

    1968-01-01

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

  2. Selected topics in solution-phase biomolecular NMR spectroscopy

    Science.gov (United States)

    Kay, Lewis E.; Frydman, Lucio

    2017-05-01

    Solution bio-NMR spectroscopy continues to enjoy a preeminent role as an important tool in elucidating the structure and dynamics of a range of important biomolecules and in relating these to function. Equally impressive is how NMR continues to 'reinvent' itself through the efforts of many brilliant practitioners who ask increasingly demanding and increasingly biologically relevant questions. The ability to manipulate spin Hamiltonians - almost at will - to dissect the information of interest contributes to the success of the endeavor and ensures that the NMR technology will be well poised to contribute to as yet unknown frontiers in the future. As a tribute to the versatility of solution NMR in biomolecular studies and to the continued rapid advances in the field we present a Virtual Special Issue (VSI) that includes over 40 articles on various aspects of solution-state biomolecular NMR that have been published in the Journal of Magnetic Resonance in the past 7 years. These, in total, help celebrate the achievements of this vibrant field.

  3. Saharan dust events at the Jungfraujoch: detection by wavelength dependence of the single scattering albedo and first climatology analysis

    Directory of Open Access Journals (Sweden)

    M. Collaud Coen

    2004-01-01

    Full Text Available Scattering and absorption coefficients have been measured continuously at several wavelengths since March 2001 at the high altitude site Jungfraujoch (3580ma.s.l.. From these data, the wavelength dependences of the Ångström exponent and particularly of the single scattering albedo are determined. While the exponent of the single scattering albedo usually increases with wavelength, it decreases with wavelength during Saharan dust events (SDE due to the greater size of the mineral aerosol particles and their different chemical composition. This change in the sign of the single scattering exponent turns out to be a sensitive means for detecting Saharan dust events. The occurrence of SDE detected by this new method was confirmed by visual inspection of filter colors and by studying long-range back-trajectories. An examination of SDE over a 22-month period shows that SDE are more frequent during the March-June period as well as during October and November. The trajectory analysis indicated a mean traveling time of 96.5h, with the most important source countries situated in the northern and north-western part of the Saharan desert. Most of the SDE do not lead to a detectable increase of the 48-h total suspended particulate matter (TSP concentration at the Jungfraujoch. During Saharan dust events, the average contribution of this dust to hourly TSP at the Jungfraujoch is 16µg/m3, which corresponds to an annual mean of 0.8µg/m3 or 24% of TSP.

  4. Raman spectroscopy – Basic principle, instrumentation and selected applications for the characterization of drugs of abuse

    Directory of Open Access Journals (Sweden)

    Gurvinder Singh Bumbrah

    2016-09-01

    Full Text Available This review gives an overview of the developments in the analysis of drugs of abuse and other illicit substances by Raman spectroscopy for forensic purpose. The review covers the brief overview of basic principle and instrumentation of Raman spectroscopy along with selected and recent applications for characterization of drugs of abuse using this technique. These applications show the potential value of Raman spectroscopy in the qualitative and quantitative analysis of trace amounts of drugs of abuse and other illicit substances on different matrices such as cloth, currency notes, fiber etc., without extensive sample preparation in a non-destructive manner.

  5. Spectroscopy

    CERN Document Server

    Walker, S

    1976-01-01

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

  6. Wavelength-dependent fibre-optic transillumination of small approximal caries lesions : The use of a dye, and a comparison to bitewing radiography

    NARCIS (Netherlands)

    Vaarkamp, J; tenBosch, JJ; Verdonschot, EH; Huysmans, MCDNJM

    1997-01-01

    The mere detection of caries lesions is insufficient for optimal treatment decision-making. Hence, the aim of this study was to investigate whether quantitative information about approximal lesion depth can be obtained from a technique based on the wavelength dependency of light propagation and

  7. Site Selective Spectroscopy on Erbium Ions in Stoichiometric Lithium Tantalate

    Energy Technology Data Exchange (ETDEWEB)

    Miyahara, K; Toulouse, A; Woodward, N; Capek, P; Dierolf, V, E-mail: vod2@lehigh.ed [Physics Department Lehigh University, Bethlehem, PA 18015 (United States)

    2010-11-01

    Ferroelectric materials such as lithium niobate (LiNbO{sub 3}) and the isostructural lithium tantalate (LiTaO{sub 3}) play an important role in integrated optics since they allow the possibility to combine their favourable electro-optical, acousto-optical, and nonlinear properties with the ability to add additional functional groups by doping. Examples are rare earth ions that act as active centres for laser and optical amplifier applications. We present our sites-selective spectroscopic studies on Er{sup 3+} doped nearly stoichiometric LiTaO{sub 3} that include results about the assignment of excitation and emission peaks to different sites, symmetry properties of these sites, energy transfer among major sites, and up-conversion efficiencies. We compare the results in LiTiO{sub 3} with the corresponding ones in the much better studied LiNbO{sub 3} host and find that the type of centres and their spectral feature are very similar.

  8. Impedance spectroscopy and surface study of potassium-selective silicone rubber membranes

    NARCIS (Netherlands)

    van der Wal, P.D.; van der Wal, Peter D.; Sudholter, Ernst; Sudhölter, Ernst J.R.; Boukamp, Bernard A.; Bouwmeester, Henricus J.M.; Reinhoudt, David

    1991-01-01

    Impedance spectroscopy measurements of silicone rubber membranes containing potassium-selective neutral carriers are reported. Two types of silicone rubbers are studied viz. the commercially available Siloprene and a novel copolymer, that was synthesized for application on Ion-Sensitive Field Effect

  9. Study of photoemission and work function of large surface areas, phase 3, phase 4. [wavelength dependences of photoelectric space probe materials

    Science.gov (United States)

    1973-01-01

    The photoemission of materials which might be used in probe measurements of the exo-atmospheric electric field is considered by evaluating the wavelength dependence of their photoelectric yield for eleven elements over the range 800 to 3200 A. Yield data for zinc, copper beryllium, platinum, cadmium, graphite, carbon, gold, silver, tantalum, and tungsten show that copper-beryllium is a preferred material. Silver has one of the highest photoemissions when exposed to solar radiation.

  10. Initial investigation of the wavelength dependence of optical properties measured with a new multi-pass Aerosol Extinction Differential Optical Absorption Spectrometer (AE-DOAS

    Directory of Open Access Journals (Sweden)

    R. T. Chartier

    2012-04-01

    Full Text Available Atmospheric aerosols directly affect climate by scattering and absorbing radiation. The magnitude of the impact is dependent upon the wavelength of light, but is often estimated near 550 nm. When light scattering and absorption by aerosols is approximated, the wavelength dependence of the refractive index for specific components is lost. As a result, climate models would have inherent uncertainties for aerosol contributions to radiative forcing when considering the entire solar spectrum. An aerosol extinction differential optical absorption spectrometer has been developed to directly measure aerosol extinction at mid-ultraviolet to near infrared wavelengths. The instrument consists of a spectrometer coupled to a closed White-type multi-pass gas cell with an adjustable path length of up to approximately 20 m. Laboratory measurements of various gases are compared with known absorption cross sections. Additionally, the extinction of monodisperse samples of polystyrene latex spheres are measured and compared to Mie theory generated with refractive index values from the literature to validate the new instrument. The polystyrene experiments also emphasize the ability of the new instrument to retrieve the wavelength dependent refractive index, especially in the ultraviolet wavelength regions where variability is expected. The spectrometer will be a significant advancement for determining wavelength dependent complex refractive indices in future laboratory studies as well as provide the ability to monitor ambient aerosol light extinction.

  11. Selectivity/Specificity Improvement Strategies in Surface-Enhanced Raman Spectroscopy Analysis

    Directory of Open Access Journals (Sweden)

    Feng Wang

    2017-11-01

    Full Text Available Surface-enhanced Raman spectroscopy (SERS is a powerful technique for the discrimination, identification, and potential quantification of certain compounds/organisms. However, its real application is challenging due to the multiple interference from the complicated detection matrix. Therefore, selective/specific detection is crucial for the real application of SERS technique. We summarize in this review five selective/specific detection techniques (chemical reaction, antibody, aptamer, molecularly imprinted polymers and microfluidics, which can be applied for the rapid and reliable selective/specific detection when coupled with SERS technique.

  12. Use of near infrared spectroscopy for intramuscular fat selection in rabbits

    OpenAIRE

    ZOMEÑO, CRISTINA; HERNÁNDEZ, PILAR; BLASCO, AGUSTÍN

    2011-01-01

    The potential use of near infrared spectroscopy (NIRS) for the determination of intramuscular fat (IMF) content in rabbit selection programmes was evaluated. One hundred and thirty seven rabbits from three different synthetic lines slaughtered between 5 and 61 weeks of age were used for NIR calibration. Longissimus muscles (LM) were homogenised, freeze-dried and scanned by NIRS reflectance and total lipid content was chemically analysed. Calibration equation parameters reported appropriate...

  13. [Study of selecting characteristic wavelengths in qualitative analysis of near infrared spectroscopy].

    Science.gov (United States)

    Yu, Jing; Wen, Ya-Dong; Wang, Luo-Ping; Qian, Ying-Ying; Ma, Xiang; Wang, Yi; Zhao, Long-Lian; Li, Jun-Hui

    2013-11-01

    The present article proposed a method of stepwise selecting characteristic wavelengths based on minimum sum of correlation coefficients (SMCC). The maximization of the ratio of inter-class Euclidean distance to the sum of inner-class Euclidean distances was used as evaluation basis in qualitative analysis of near infrared spectroscopy. Seventeen kinds of grading tobacco leaf in 2012, provided by Hongta Group, were used as experimental samples to verify the effectiveness of this new method. CO1 was selected as the reference category and ten points were selected as characteristic wavelengths. The results indicated that the average value of inner-class Euclidean distance, calculated by characteristic wavelengths, was 1.69 times as large as that calculated by all wavelengths. The average value of inter-class Euclidean distance, calculated by characteristic wavelengths, was 3.70 times as large as that calculated by all wavelengths. The average value of the ratio of inter-class Euclidean distance to the sum of inner-class Euclidean distances, calculated by characteristic wavelength, was 2.21 times as large as that calculated by all wavelengths. The ratio of characteristic wavelengths was increased. The characteristic wavelengths can express the classical differences. It was showed that SMCC was an effective way to select characteristic wavelengths in qualitative analyses of near infrared spectroscopy.

  14. Linear and nonlinear surface spectroscopy of supported size selected metal clusters and organic adsorbates

    Energy Technology Data Exchange (ETDEWEB)

    Thaemer, Martin Georg

    2012-03-08

    The spectroscopic investigation of supported size selected metal clusters over a wide wavelength range plays an important role for understanding their outstanding catalytic properties. The challenge which must be overcome to perform such measurements is the difficult detection of the weak spectroscopic signals from these samples. As a consequence, highly sensitive spectroscopic methods are applied, such as surface Cavity Ringdown Spectroscopy and surface Second Harmonic Generation Spectroscopy. The spectroscopic apparatus developed is shown to have a sensitivity which is high enough to detect sub-monolayer coverages of adsorbates on surfaces. In the measured spectra of small supported silver clusters of the sizes Ag{sub 4}2, Ag{sub 2}1, Ag{sub 9}, and Ag atoms a stepwise transition from particles with purely metallic character to particles with molecule-like properties can be observed within this size range.

  15. Synthesis, spectroscopy and computational studies of selected hydroxyquinolines and their analogues.

    Science.gov (United States)

    Nycz, Jacek E; Szala, Marcin; Malecki, Grzegorz J; Nowak, Maria; Kusz, Joachim

    2014-01-03

    Synthetic, spectroscopy and mechanistic aspects of preparation of selected hydroxyquinolines and their analogues or derivatives contained methoxy, fluoro, chloro, carboxylic, carbodithioic and phosphinate or dioxaphosphinane groups were elaborated. The multinuclear NMR and five single crystal X-ray characteristics of the series of quinolines have been determined. The molecular orbitals of the selected hydroxyquinolines have been calculated by density functional theory. The X-ray and NMR studies of 8-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-5,7-dibromo-2-methylquinoline and 8-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-5-fluoro-2-methylquinoline indicate the appearance of anomeric effect. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. Microalgal process-monitoring based on high-selectivity spectroscopy tools: status and future perspectives.

    Science.gov (United States)

    Podevin, Michael; Fotidis, Ioannis A; Angelidaki, Irini

    2017-11-27

    Microalgae are well known for their ability to accumulate lipids intracellularly, which can be used for biofuels and mitigate CO2 emissions. However, due to economic challenges, microalgae bioprocesses have maneuvered towards the simultaneous production of food, feed, fuel, and various high-value chemicals in a biorefinery concept. On-line and in-line monitoring of macromolecules such as lipids, proteins, carbohydrates, and high-value pigments will be more critical to maintain product quality and consistency for downstream processing in a biorefinery to maintain and valorize these markets. The main contribution of this review is to present current and prospective advances of on-line and in-line process analytical technology (PAT), with high-selectivity - the capability of monitoring several analytes simultaneously - in the interest of improving product quality, productivity, and process automation of a microalgal biorefinery. The high-selectivity PAT under consideration are mid-infrared (MIR), near-infrared (NIR), and Raman vibrational spectroscopies. The current review contains a critical assessment of these technologies in the context of recent advances in software and hardware in order to move microalgae production towards process automation through multivariate process control (MVPC) and software sensors trained on "big data". The paper will also include a comprehensive overview of off-line implementations of vibrational spectroscopy in microalgal research as it pertains to spectral interpretation and process automation to aid and motivate development.

  17. Spoilage of foods monitored by native fluorescence spectroscopy with selective excitation wavelength

    Science.gov (United States)

    Pu, Yang; Wang, Wubao; Alfano, Robert R.

    2015-03-01

    The modern food processing and storage environments require the real-time monitoring and rapid microbiological testing. Optical spectroscopy with selective excitation wavelengths can be the basis of a novel, rapid, reagent less, noncontact and non-destructive technique for monitoring the food spoilage. The native fluorescence spectra of muscle foods stored at 2-4°C (in refrigerator) and 20-24°C (in room temperature) were measured as a function of time with a selective excitation wavelength of 340nm. The contributions of the principal molecular components to the native fluorescence spectra of meat were measured spectra of each fluorophore: collagen, reduced nicotinamide adenine dinucleotide (NADH), and flavin. The responsible components were extracted using a method namely Multivariate Curve Resolution with Alternating Least-Squares (MCR-ALS). The native fluorescence combined with MCR-ALS can be used directly on the surface of meat to produce biochemically interpretable "fingerprints", which reflects the microbial spoilage of foods involved with the metabolic processes. The results show that with time elapse, the emission from NADH in meat stored at 24°C increases much faster than that at 4°C. This is because multiplying of microorganisms and catabolism are accompanied by the generation of NADH. This study presents changes of relative content of NADH may be used as criterion for detection of spoilage degree of meat using native fluorescence spectroscopy.

  18. Ultraviolet Wavelength-Dependent Optoelectronic Properties in Two-Dimensional NbSe2-WSe2van der Waals Heterojunction-Based Field-Effect Transistors.

    Science.gov (United States)

    Son, Seung Bae; Kim, Yonghun; Kim, AhRa; Cho, Byungjin; Hong, Woong-Ki

    2017-11-29

    Atomically thin two-dimensional (2D) van der Waals (vdW) heterostructures are one of the very important research issues for stacked optoelectronic device applications. In this study, using the transferred and stacked NbSe 2 -WSe 2 films as electrodes and a channel, we fabricated the field-effect transistor (FET) devices based on 2D-2D vdW metal-semiconductor heterojunctions (HJs) and systematically studied their ultraviolet (UV) wavelength-dependent electrical and photoresponse properties. Upon the exposure to UV light with a wavelength of 365 nm, the NbSe 2 -WSe 2 vdW HJFET devices exhibited threshold voltage shift toward positive gate bias direction, a current increase, and a nonlinear photocurrent increase upon applying a gate bias due to the contribution of the photogenerated hole current. In contrast, for the 254 nm UV-irradiated FET devices, the drain current was decreased dramatically and the threshold voltage was negatively shifted. The time-resolved photoresponse properties showed that the device current after turning off the 254 nm UV light was completely and much more rapidly recovered compared with the case of the persistent photocurrent after turning off the 365 nm UV light. Interestingly, we found that the wettability of the WSe 2 surface was changed with increasing irradiation time only after 254 nm UV irradiation. The measured wetting behavior on the WSe 2 surface provided direct evidence that the experimentally observed UV-wavelength-dependent phenomena was attributed to the UV-induced dissociative adsorption of oxygen and water molecules, leading to the modulation of charge trap states on the photogenerated and intrinsic carriers in the p-type WSe 2 channel. This study will help provide an understanding of the influence of environmental and electrical measurement conditions on the electrical and optical properties of 2D-2D vdW HJ devices for a variety of device applications through the stacking of 2D heterostructures.

  19. High resolution x-ray fluorescence spectroscopy - a new technique for site- and spin-selectivity

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xin [Univ. of California, Davis, CA (United States). Dept. of Applied Science

    1996-12-01

    X-ray spectroscopy has long been used to elucidate electronic and structural information of molecules. One of the weaknesses of x-ray absorption is its sensitivity to all of the atoms of a particular element in a sample. Through out this thesis, a new technique for enhancing the site- and spin-selectivity of the x-ray absorption has been developed. By high resolution fluorescence detection, the chemical sensitivity of K emission spectra can be used to identify oxidation and spin states; it can also be used to facilitate site-selective X-ray Absorption Near Edge Structure (XANES) and site-selective Extended X-ray Absorption Fine Structure (EXAFS). The spin polarization in K fluorescence could be used to generate spin selective XANES or spin-polarized EXAFS, which provides a new measure of the spin density, or the nature of magnetic neighboring atoms. Finally, dramatic line-sharpening effects by the combination of absorption and emission processes allow observation of structure that is normally unobservable. All these unique characters can enormously simplify a complex x-ray spectrum. Applications of this novel technique have generated information from various transition-metal model compounds to metalloproteins. The absorption and emission spectra by high resolution fluorescence detection are interdependent. The ligand field multiplet model has been used for the analysis of K{alpha} and K{beta} emission spectra. First demonstration on different chemical states of Fe compounds has shown the applicability of site selectivity and spin polarization. Different interatomic distances of the same element in different chemical forms have been detected using site-selective EXAFS.

  20. Selective Surface Sintering Using a Laser-Induced Breakdown Spectroscopy System

    Directory of Open Access Journals (Sweden)

    H. Jull

    2017-01-01

    Full Text Available Titanium metal injection molding allows creation of complex metal parts that are lightweight and biocompatible with reduced cost in comparison with machining titanium. Laser-induced breakdown spectroscopy (LIBS can be used to create plasma on the surface of a sample to analyze its elemental composition. Repetitive ablation on the same site has been shown to create differences from the original sample. This study investigates the potential of LIBS for selective surface sintering of injection-molded titanium metal. The temperature created throughout the LIBS process on the surface of the injection-molded titanium is high enough to fuse together the titanium particles. Using the ratio of the Ti II 282.81 nm and the C I 247.86 nm lines, the effectiveness of repetitive plasma formation to produce sintering can be monitored during the process. Energy-dispersive X-ray spectroscopy on the ablation craters confirms sintering through the reduction in carbon from 20.29 Wt.% to 2.13 Wt.%. Scanning electron microscope images confirm sintering. A conventional LIBS system, with a fixed distance, investigated laser parameters on injection-molded and injection-sintered titanium. To prove the feasibility of using this technique on a production line, a second LIBS system, with an autofocus and 3-axis translation stage, successfully sintered a sample with a nonplanar surface.

  1. Wavelength selection-based nonlinear calibration for transcutaneous blood glucose sensing using Raman spectroscopy

    Science.gov (United States)

    Dingari, Narahara Chari; Barman, Ishan; Kang, Jeon Woong; Kong, Chae-Ryon; Dasari, Ramachandra R.; Feld, Michael S.

    2011-08-01

    While Raman spectroscopy provides a powerful tool for noninvasive and real time diagnostics of biological samples, its translation to the clinical setting has been impeded by the lack of robustness of spectroscopic calibration models and the size and cumbersome nature of conventional laboratory Raman systems. Linear multivariate calibration models employing full spectrum analysis are often misled by spurious correlations, such as system drift and covariations among constituents. In addition, such calibration schemes are prone to overfitting, especially in the presence of external interferences that may create nonlinearities in the spectra-concentration relationship. To address both of these issues we incorporate residue error plot-based wavelength selection and nonlinear support vector regression (SVR). Wavelength selection is used to eliminate uninformative regions of the spectrum, while SVR is used to model the curved effects such as those created by tissue turbidity and temperature fluctuations. Using glucose detection in tissue phantoms as a representative example, we show that even a substantial reduction in the number of wavelengths analyzed using SVR lead to calibration models of equivalent prediction accuracy as linear full spectrum analysis. Further, with clinical datasets obtained from human subject studies, we also demonstrate the prospective applicability of the selected wavelength subsets without sacrificing prediction accuracy, which has extensive implications for calibration maintenance and transfer. Additionally, such wavelength selection could substantially reduce the collection time of serial Raman acquisition systems. Given the reduced footprint of serial Raman systems in relation to conventional dispersive Raman spectrometers, we anticipate that the incorporation of wavelength selection in such hardware designs will enhance the possibility of miniaturized clinical systems for disease diagnosis in the near future.

  2. The Time-domain Spectroscopic Survey: Target Selection for Repeat Spectroscopy

    Science.gov (United States)

    MacLeod, Chelsea L.; Green, Paul J.; Anderson, Scott F.; Eracleous, Michael; Ruan, John J.; Runnoe, Jessie; Nielsen Brandt, William; Badenes, Carles; Greene, Jenny; Morganson, Eric; Schmidt, Sarah J.; Schwope, Axel; Shen, Yue; Amaro, Rachael; Lebleu, Amy; Filiz Ak, Nurten; Grier, Catherine J.; Hoover, Daniel; McGraw, Sean M.; Dawson, Kyle; Hall, Patrick B.; Hawley, Suzanne L.; Mariappan, Vivek; Myers, Adam D.; Pâris, Isabelle; Schneider, Donald P.; Stassun, Keivan G.; Bershady, Matthew A.; Blanton, Michael R.; Seo, Hee-Jong; Tinker, Jeremy; Fernández-Trincado, J. G.; Chambers, Kenneth; Kaiser, Nick; Kudritzki, R.-P.; Magnier, Eugene; Metcalfe, Nigel; Waters, Chris Z.

    2018-01-01

    As astronomers increasingly exploit the information available in the time domain, spectroscopic variability in particular opens broad new channels of investigation. Here we describe the selection algorithms for all targets intended for repeat spectroscopy in the Time Domain Spectroscopic Survey (TDSS), part of the extended Baryon Oscillation Spectroscopic Survey within the Sloan Digital Sky Survey (SDSS)-IV. Also discussed are the scientific rationale and technical constraints leading to these target selections. The TDSS includes a large “repeat quasar spectroscopy” (RQS) program delivering ∼13,000 repeat spectra of confirmed SDSS quasars, and several smaller “few-epoch spectroscopy” (FES) programs targeting specific classes of quasars as well as stars. The RQS program aims to provide a large and diverse quasar data set for studying variations in quasar spectra on timescales of years, a comparison sample for the FES quasar programs, and an opportunity for discovering rare, serendipitous events. The FES programs cover a wide variety of phenomena in both quasars and stars. Quasar FES programs target broad absorption line quasars, high signal-to-noise ratio normal broad line quasars, quasars with double-peaked or very asymmetric broad emission line profiles, binary supermassive black hole candidates, and the most photometrically variable quasars. Strongly variable stars are also targeted for repeat spectroscopy, encompassing many types of eclipsing binary systems, and classical pulsators like RR Lyrae. Other stellar FES programs allow spectroscopic variability studies of active ultracool dwarf stars, dwarf carbon stars, and white dwarf/M dwarf spectroscopic binaries. We present example TDSS spectra and describe anticipated sample sizes and results.

  3. Wavelength dependence of ultraviolet radiation-induced DNA damage as determined by laser irradiation suggests that cyclobutane pyrimidine dimers are the principal DNA lesions produced by terrestrial sunlight

    Science.gov (United States)

    Besaratinia, Ahmad; Yoon, Jae-in; Schroeder, Christi; Bradforth, Stephen E.; Cockburn, Myles; Pfeifer, Gerd P.

    2011-01-01

    To elucidate the involvement of specific ultraviolet (UV) wavelengths in solar mutagenesis, we used a laser system to investigate the induction of DNA damage, both in the overall genome and at the nucleotide resolution level, in the genomic DNA of transgenic Big Blue mouse fibroblasts irradiated with a series of UV wavelengths, inclusive of UVC (λ320 nm). Subsequently, we sought correlation between the locations of UV-induced DNA lesions in the cII transgene of irradiated DNA samples and the frequency distribution and codon position of the induced cII mutations in counterpart mouse cells irradiated with simulated sunlight. Using a combination of enzymatic digestion assays coupled with gel electrophoresis, immunodot blot assays, and DNA footprinting assays, we demonstrated a unique wavelength-dependent formation of photodimeric lesions, i.e., cyclobutane pyrimidine dimers (CPDs) and (6–4) photoproducts [(6–4)PPs], based on direct UV absorption of DNA, in irradiated mouse genomic DNA, which could partially explain the induction of mutations in mouse cells irradiated with simulated sunlight. Most notably, there was a divergence of CPD and (6–4)PP formation at an irradiation wavelength of 296 nm in mouse genomic DNA. Whereas substantial formation of (6–4)PPs was detectable in samples irradiated at this wavelength, which intensified as the irradiation wavelength decreased, only small quantities of these lesions were found in samples irradiated at wavelengths of 300–305 nm, with no detectable level of (6–4)PPs in samples irradiated with longer wavelengths. Although CPD formation followed the same pattern of increase with decreasing wavelengths of irradiation, there were substantial levels of CPDs in samples irradiated with UVB wavelengths borderlined with UVA, and small but detectable levels of these lesions in samples irradiated with longer wavelengths. Because the terrestrial sunlight spectrum rolls off sharply at wavelengths ∼300 nm, our findings

  4. Enhancement of Faraday effect in one-dimensional magneto-optical photonic crystal including a magnetic layer with wavelength dependent off-diagonal elements of dielectric constant tensor

    Energy Technology Data Exchange (ETDEWEB)

    Inui, Chie; Ozaki, Shinsuke; Kura, Hiroaki [Graduate School of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama-shi 223-8522 (Japan); Sato, Tetsuya, E-mail: satoh@appi.keio.ac.jp [Graduate School of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama-shi 223-8522 (Japan)

    2011-10-15

    Optical and magneto-optical properties of one-dimensional magneto-optical photonic crystal (1-D MPC) prepared by the sol-gel dip-coating method, including a magnetic defect layer composed of mixture of CoFe{sub 2}O{sub 4} and SiO{sub 2}, are investigated from both the experimental and theoretical standpoints. The resonant transmission of light was observed around 570 nm in the photonic band gap. The Faraday rotation angle {theta}{sub F} showed two maxima at 490 and 640 nm, and the wavelength dependence of {theta}{sub F} above 760 nm was similar to that of the CoFe{sub 2}O{sub 4}+SiO{sub 2} single-layer film. The two maxima of {theta}{sub F} are attributed to the enhanced Faraday rotation of nonmagnetic TiO{sub 2} layers in the cavity structure and that in magnetic CoFe{sub 2}O{sub 4}+SiO{sub 2} layer through the light localization in MPC. The maximum value of {theta}{sub F} due to the magnetic CoFe{sub 2}O{sub 4}+SiO{sub 2} layer in the MPC was 22-times larger than that in the single-layer film. The simulation study of MPC with CoFe{sub 2}O{sub 4}+SiO{sub 2} magnetic defect layer, based on the matrix approach method, showed that the resonant light transmission was accompanied by the localization of electric field, and large enhancement of {theta}{sub F} appeared at different wavelengths so as to agree with the experimental features. This can be explained in terms of the wavelength dependent off-diagonal components of the dielectric constant tensor in addition to the large extinction coefficient in the CoFe{sub 2}O{sub 4}+SiO{sub 2} magnetic defect layer. - Highlights: > 1-D magnetic photonic crystal (MPC) prepared by sol-gel method. > Enhancement of Faraday rotation due to the magnetic defect layer of CoFe{sub 2}O{sub 4}. > Shift of wavelength of Faraday rotation maximum from resonant light transmission.

  5. Characterization of powellite-based solid solutions by site-selective time resolved laser fluorescence spectroscopy.

    Science.gov (United States)

    Schmidt, Moritz; Heck, Stephanie; Bosbach, Dirk; Ganschow, Steffen; Walther, Clemens; Stumpf, Thorsten

    2013-06-21

    We present a comprehensive study of the solid solution system Ca2(MoO4)2-NaGd(MoO4)2 on the molecular scale, by means of site-selective time resolved laser fluorescence spectroscopy (TRLFS). Eu(3+) is used as a trace fluorescent probe, homogeneously substituting for Gd(3+) in the solid solution crystal structure. Site-selective TRLFS of a series of polycrystalline samples covering the whole composition range of the solid solution series from 10% substitution of Ca(2+) to the NaGd end-member reveals it to be homogeneous throughout the whole range. The trivalent ions are incorporated into the powellite structure in only one coordination environment, which exhibits a very strong ligand-metal interaction. Polarization-dependent measurements of a single crystal of NaGd(Eu)(MoO4)2 identify the coordination geometry to be of C2v point symmetry. The S4 symmetry of the Ca site within the powellite lattice can be transformed into C2v assuming minor motion in the first coordination sphere.

  6. Estimation of selected properties of forest soils using near-infrared spectroscopy (NIR

    Directory of Open Access Journals (Sweden)

    Kania Mateusz

    2016-03-01

    Full Text Available The study was focused on the application of near-infrared spectroscopy (NIR as a tool for evaluation of selected properties of forest soils. We analysed 144 soil samples from the topsoil of nine plots located in southern Poland. Six plots were established under pine stands, and three plots under oak stands. The NIR measurements were performed using Antharis II FT scanner. On the basis of the spectrum files obtained from scanning of 96 samples and the measurement results obtained for selected properties of the soil samples, we developed a calibration model. The model was validated using 48 independent samples. We attempted to estimate the following properties of forest soils: pH, C:N ratio, the organic carbon content (Ct, total nitrogen (Nt, clay content (Clay, base cation content (BC, cation exchange capacity (CEC and total acidity (TA. We conclude that estimation of soil properties using NIR method can be applied as additional (to laboratory analysis or initial assessment of soil quality. Our results also suggest that forest species composition may affect the mathematical model applied to NIR spectra analysis, however, this hypothesis needs some of further investigations.

  7. Variable selection based near infrared spectroscopy quantitative and qualitative analysis on wheat wet gluten

    Science.gov (United States)

    Lü, Chengxu; Jiang, Xunpeng; Zhou, Xingfan; Zhang, Yinqiao; Zhang, Naiqian; Wei, Chongfeng; Mao, Wenhua

    2017-10-01

    Wet gluten is a useful quality indicator for wheat, and short wave near infrared spectroscopy (NIRS) is a high performance technique with the advantage of economic rapid and nondestructive test. To study the feasibility of short wave NIRS analyzing wet gluten directly from wheat seed, 54 representative wheat seed samples were collected and scanned by spectrometer. 8 spectral pretreatment method and genetic algorithm (GA) variable selection method were used to optimize analysis. Both quantitative and qualitative model of wet gluten were built by partial least squares regression and discriminate analysis. For quantitative analysis, normalization is the optimized pretreatment method, 17 wet gluten sensitive variables are selected by GA, and GA model performs a better result than that of all variable model, with R2V=0.88, and RMSEV=1.47. For qualitative analysis, automatic weighted least squares baseline is the optimized pretreatment method, all variable models perform better results than those of GA models. The correct classification rates of 3 class of 30% wet gluten content are 95.45, 84.52, and 90.00%, respectively. The short wave NIRS technique shows potential for both quantitative and qualitative analysis of wet gluten for wheat seed.

  8. Volume-selective proton MR spectroscopy for in-vitro quantification of anticonvulsants

    Energy Technology Data Exchange (ETDEWEB)

    Braun, J.; Tolxdorff, T. [Inst. of Medical Informatics, Biometry and Epidemiology, University Hospital Benjamin Franklin, Berlin (Germany); Seyfert, S.; Marx, P. [Freie Univ. Berlin (Germany). Abt. fuer Neurologie; Bernarding, J. [Inst. of Medical Informatics, Biometry and Epidemiology, University Hospital Benjamin Franklin, Berlin (Germany); Freie Univ. Berlin (Germany). Klinik fuer Radiologie, Nuklearmedizin und Physikalische Therapie; Schilling, A. [Freie Univ. Berlin (Germany). Klinik fuer Radiologie, Nuklearmedizin und Physikalische Therapie

    2001-03-01

    Administration of anticonvulsant drugs is clinically monitored by checking seizure frequency and by determining the serum concentration of the drug. In a few reports, drug concentrations in brain parenchyma have been determined using ex vivo techniques. Little is known about the in vivo concentration in the brain parenchyma. Our goals were to characterise the NMR spectra of the anticonvulsants at therapeutic concentrations, to determine the minimum detectable concentrations, and to quantify the drugs noninvasively. Volume-selective 1H-MR spectroscopy (MRS) was performed under standard clinical conditions using a single-voxel STEAM (stimulated-echo acquisition mode) sequence at 1.5 T. Spectra of the anticonvulsants carbamazepine, phenobarbital, phenytoin and valproate were acquired in vitro in hydrous solutions at increasing dilution. Phenytoin, phenobarbital and valproate were detectable below maximum therapeutic serum concentrations. Within therapeutic ranges, there was good agreement between concentrations determined by 1H-MRS and those by standard fluorescence polarisation immunoassay. Due to the absence of signals of brain metabolites, the aromatic protons of phenobarbital, phenytoin and carbamazepine, with resonance lines around 7.4 ppm, allow the drugs to be detected. Valproate, with two resonances around 1.2 ppm, should be differentiable from potential brain metabolites using nonlinear analysis of the brain spectrum. Volume-selective 1H-MRS is therefore expected to be able to monitor anticonvulsant therapy in vivo. (orig.)

  9. Optimal Wavelength Selection in Ultraviolet Spectroscopy for the Estimation of Toxin Reduction Ratio during Hemodialysis

    Directory of Open Access Journals (Sweden)

    Amir Ghanifar

    2016-06-01

    Full Text Available Introduction The concentration of substances, including urea, creatinine, and uric acid, can be used as an index to measure toxic uremic solutes in the blood during dialysis and interdialytic intervals. The on-line monitoring of toxin concentration allows for the clearance measurement of some low-molecular-weight solutes at any time during hemodialysis.The aim of this study was to determine the optimal wavelength for estimating the changes in urea, creatinine, and uric acid in dialysate, using ultraviolet (UV spectroscopy. Materials and Methods In this study, nine uremic patients were investigated, using on-line spectrophotometry. The on-line absorption measurements (UV radiation were performed with a spectrophotometer module, connected to the fluid outlet of the dialysis machine. Dialysate samples were obtained and analyzed, using standard biochemical methods. Optimal wavelengths for both creatinine and uric acid were selected by using a combination of genetic algorithms (GAs, i.e., GA-partial least squares (GA-PLS and interval partial least squares (iPLS. Results The Artifitial Neural Network (ANN sensitivity analysis determined the wavelengths of the UV band most suitable for estimating the concentration of creatinine and uric acid. The two optimal wavelengths were 242 and 252 nm for creatinine and 295 and 298 nm for uric acid. Conclusion It can be concluded that the reduction ratio of creatinine and uric acid (dialysis efficiency could be continuously monitored during hemodialysis by UV spectroscopy.Compared to the conventional method, which is particularly sensitive to the sampling technique and involves post-dialysis blood sampling, iterative measurements throughout the dialysis session can yield more reliable data.

  10. Wavelength-dependent photooxidation and photoreduction of protochlorophyllide and protochlorophyll in the innermost leaves of cabbage (Brassica oleracea var. capitata L.).

    Science.gov (United States)

    Erdei, Anna Laura; Kósa, Annamária; Kovács-Smirová, Lilla; Böddi, Béla

    2016-04-01

    The photoreduction and photooxidation processes of different protochlorophyll(ide) forms were studied in the innermost leaves of cabbage (Brassica oleracea var. capitata L.) under monochromatic irradiations. Room-temperature fluorescence emission spectra were measured from the same leaf spots before and after illumination to follow the wavelength dependence of the photochemical reactions. Short-wavelength light of 7 µmol photons m(-2) s(-1) (625-630 nm) provoked mainly bleaching, and longer wavelengths (630-640 nm) caused both bleaching and photoreduction, while above 640 nm resulted in basically photoreduction. When bleached leaves were kept in darkness at room temperature, all protochlorophyll(ide) forms regenerated during 72 h. Oxygen-reduced environment decreased the extent of bleaching suggesting the involvement of reactive oxygen species. These results confirm that the short-wavelength, 628 nm absorbing, and 633 nm emitting protochlorophyll(ide) form in etiolated cabbage leaves sensibilizes photooxidation. However, the 628 nm light at low intensities stimulates the photoreduction of the longer wavelength protochlorophyllide forms. Kinetic measurements showed that photoreduction saturates at a low PFD (photon flux density) compared to bleaching, suggesting that the quantum yield of photoreduction is higher than that of bleaching.

  11. Porous silicon-VO{sub 2} based hybrids as possible optical temperature sensor: Wavelength-dependent optical switching from visible to near-infrared range

    Energy Technology Data Exchange (ETDEWEB)

    Antunez, E. E.; Salazar-Kuri, U.; Estevez, J. O.; Basurto, M. A.; Agarwal, V., E-mail: vagarwal@uaem.mx [Centro de Investigación en Ingeniería y Ciencias Aplicadas, Instituto de Investigación en Ciencias Básicas y Aplicadas, UAEM, Av. Universidad 1001, Col. Chamilpa, Cuernavaca, Mor. 62209 (Mexico); Campos, J. [Instituto de Energías Renovables, UNAM, Priv. Xochicalco S/N, Temixco, Mor. 62580 (Mexico); Jiménez Sandoval, S. [Laboratorio de Investigación en Materiales, Centro de Investigación y estudios Avanzados del Instituto Politécnico Nacional, Unidad Querétaro, Qro. 76001 (Mexico)

    2015-10-07

    Morphological properties of thermochromic VO{sub 2}—porous silicon based hybrids reveal the growth of well-crystalized nanometer-scale features of VO{sub 2} as compared with typical submicron granular structure obtained in thin films deposited on flat substrates. Structural characterization performed as a function of temperature via grazing incidence X-ray diffraction and micro-Raman demonstrate reversible semiconductor-metal transition of the hybrid, changing from a low-temperature monoclinic VO{sub 2}(M) to a high-temperature tetragonal rutile VO{sub 2}(R) crystalline structure, coupled with a decrease in phase transition temperature. Effective optical response studied in terms of red/blue shift of the reflectance spectra results in a wavelength-dependent optical switching with temperature. As compared to VO{sub 2} film over crystalline silicon substrate, the hybrid structure is found to demonstrate up to 3-fold increase in the change of reflectivity with temperature, an enlarged hysteresis loop and a wider operational window for its potential application as an optical temperature sensor. Such silicon based hybrids represent an exciting class of functional materials to display thermally triggered optical switching culminated by the characteristics of each of the constituent blocks as well as device compatibility with standard integrated circuit technology.

  12. Meso-scale defect evaluation of selective laser melting using spatially resolved acoustic spectroscopy

    Science.gov (United States)

    Hirsch, M.; Catchpole-Smith, S.; Patel, R.; Marrow, P.; Li, Wenqi; Tuck, C.; Sharples, S. D.; Clare, A. T.

    2017-09-01

    Developments in additive manufacturing technology are serving to expand the potential applications. Critical developments are required in the supporting areas of measurement and in process inspection to achieve this. CM247LC is a nickel superalloy that is of interest for use in aerospace and civil power plants. However, it is difficult to process via selective laser melting (SLM) as it suffers from cracking during rapid cooling and solidification. This limits the viability of CM247LC parts created using SLM. To quantify part integrity, spatially resolved acoustic spectroscopy (SRAS) has been identified as a viable non-destructive evaluation technique. In this study, a combination of optical microscopy and SRAS was used to identify and classify the surface defects present in SLM-produced parts. By analysing the datasets and scan trajectories, it is possible to correlate morphological information with process parameters. Image processing was used to quantify porosity and cracking for bulk density measurement. Analysis of surface acoustic wave data showed that an error in manufacture in the form of an overscan occurred. Comparing areas affected by overscan with a bulk material, a change in defect density from 1.17% in the bulk material to 5.32% in the overscan regions was observed, highlighting the need to reduce overscan areas in manufacture.

  13. Pb 4f photoelectron spectroscopy on mass-selected anionic lead clusters at FLASH

    Science.gov (United States)

    Bahn, J.; Oelßner, P.; Köther, M.; Braun, C.; Senz, V.; Palutke, S.; Martins, M.; Rühl, E.; Ganteför, G.; Möller, T.; von Issendorff, B.; Bauer, D.; Tiggesbäumker, J.; Meiwes-Broer, K.-H.

    2012-07-01

    4f core level photoelectron spectroscopy has been performed on negatively charged lead clusters, in the size range of 10-90 atoms. We deploy 4.7 nm radiation from the free-electron laser FLASH, yielding sufficiently high photon flux to investigate mass-selected systems in a beam. A new photoelectron detection system based on a hemispherical spectrometer and a time-resolving delayline detector makes it possible to assign electron signals to each micro-pulse of FLASH. The resulting 4f binding energies show good agreement with the metallic sphere model, giving evidence for a fast screening of the 4f core holes. By comparing the present work with previous 5d and valence region data, the paper presents a comprehensive overview of the energetics of lead clusters, from atoms to bulk. Special care is taken to discuss the differences of the valence- and core-level anion cluster photoionizations. Whereas in the valence case the escaping photoelectron interacts with a neutral system near its ground state, core-level ionization leads to transiently highly excited neutral clusters. Thus, the photoelectron signal might carry information on the relaxation dynamics.

  14. Wavenumber selection based analysis in Raman spectroscopy improves skin cancer diagnostic specificity at high sensitivity levels (Conference Presentation)

    Science.gov (United States)

    Zhao, Jianhua; Zeng, Haishan; Kalia, Sunil; Lui, Harvey

    2017-02-01

    Background: Raman spectroscopy is a non-invasive optical technique which can measure molecular vibrational modes within tissue. A large-scale clinical study (n = 518) has demonstrated that real-time Raman spectroscopy could distinguish malignant from benign skin lesions with good diagnostic accuracy; this was validated by a follow-up independent study (n = 127). Objective: Most of the previous diagnostic algorithms have typically been based on analyzing the full band of the Raman spectra, either in the fingerprint or high wavenumber regions. Our objective in this presentation is to explore wavenumber selection based analysis in Raman spectroscopy for skin cancer diagnosis. Methods: A wavenumber selection algorithm was implemented using variably-sized wavenumber windows, which were determined by the correlation coefficient between wavenumbers. Wavenumber windows were chosen based on accumulated frequency from leave-one-out cross-validated stepwise regression or least and shrinkage selection operator (LASSO). The diagnostic algorithms were then generated from the selected wavenumber windows using multivariate statistical analyses, including principal component and general discriminant analysis (PC-GDA) and partial least squares (PLS). A total cohort of 645 confirmed lesions from 573 patients encompassing skin cancers, precancers and benign skin lesions were included. Lesion measurements were divided into training cohort (n = 518) and testing cohort (n = 127) according to the measurement time. Result: The area under the receiver operating characteristic curve (ROC) improved from 0.861-0.891 to 0.891-0.911 and the diagnostic specificity for sensitivity levels of 0.99-0.90 increased respectively from 0.17-0.65 to 0.20-0.75 by selecting specific wavenumber windows for analysis. Conclusion: Wavenumber selection based analysis in Raman spectroscopy improves skin cancer diagnostic specificity at high sensitivity levels.

  15. Clustering and training set selection methods for improving the accuracy of quantitative laser induced breakdown spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Ryan B., E-mail: randerson@astro.cornell.edu [Cornell University Department of Astronomy, 406 Space Sciences Building, Ithaca, NY 14853 (United States); Bell, James F., E-mail: Jim.Bell@asu.edu [Arizona State University School of Earth and Space Exploration, Bldg.: INTDS-A, Room: 115B, Box 871404, Tempe, AZ 85287 (United States); Wiens, Roger C., E-mail: rwiens@lanl.gov [Los Alamos National Laboratory, P.O. Box 1663 MS J565, Los Alamos, NM 87545 (United States); Morris, Richard V., E-mail: richard.v.morris@nasa.gov [NASA Johnson Space Center, 2101 NASA Parkway, Houston, TX 77058 (United States); Clegg, Samuel M., E-mail: sclegg@lanl.gov [Los Alamos National Laboratory, P.O. Box 1663 MS J565, Los Alamos, NM 87545 (United States)

    2012-04-15

    We investigated five clustering and training set selection methods to improve the accuracy of quantitative chemical analysis of geologic samples by laser induced breakdown spectroscopy (LIBS) using partial least squares (PLS) regression. The LIBS spectra were previously acquired for 195 rock slabs and 31 pressed powder geostandards under 7 Torr CO{sub 2} at a stand-off distance of 7 m at 17 mJ per pulse to simulate the operational conditions of the ChemCam LIBS instrument on the Mars Science Laboratory Curiosity rover. The clustering and training set selection methods, which do not require prior knowledge of the chemical composition of the test-set samples, are based on grouping similar spectra and selecting appropriate training spectra for the partial least squares (PLS2) model. These methods were: (1) hierarchical clustering of the full set of training spectra and selection of a subset for use in training; (2) k-means clustering of all spectra and generation of PLS2 models based on the training samples within each cluster; (3) iterative use of PLS2 to predict sample composition and k-means clustering of the predicted compositions to subdivide the groups of spectra; (4) soft independent modeling of class analogy (SIMCA) classification of spectra, and generation of PLS2 models based on the training samples within each class; (5) use of Bayesian information criteria (BIC) to determine an optimal number of clusters and generation of PLS2 models based on the training samples within each cluster. The iterative method and the k-means method using 5 clusters showed the best performance, improving the absolute quadrature root mean squared error (RMSE) by {approx} 3 wt.%. The statistical significance of these improvements was {approx} 85%. Our results show that although clustering methods can modestly improve results, a large and diverse training set is the most reliable way to improve the accuracy of quantitative LIBS. In particular, additional sulfate standards and

  16. Excitation pathways and efficiency of Eu ions in GaN by site-selective spectroscopy

    Science.gov (United States)

    Fleischman, Z.; Munasinghe, C.; Steckl, A. J.; Wakahara, A.; Zavada, J.; Dierolf, V.

    2009-11-01

    Using combined excitation emission spectroscopy, we performed a comparative study of europium ions in GaN in samples that have been in situ doped during interrupted growth epitaxy (IGE) or conventional molecular beam epitaxy (MBE) as well as samples that were grown using organometallic vapor phase epitaxy (OMVPE) and subsequently ion implanted with Eu ions. Through site-selective resonant excitation, we are able to unambiguously assign all major observed transitions to a combination of different incorporation sites and electron-phonon coupled transitions. We identified at least nine different incorporation sites of Eu ions in GaN and studied how these sites behave under different excitation conditions and how their relative number is modified by different growth and doping conditions. The coupling to phonons has also been studied for a series of Al x Ga1- x N samples with x=0…1. We find that a main site most resembling an unperturbed Eu ion on Ga site is always dominant, while the minority sites are changing substantially in relative numbers and can occur in some samples fairly close in emission intensity to the main site. In terms of the excitation pathway after the creation of electron-hole pairs, we found three types of centers: (1) sites that are dominantly excited through shallow defect traps; (2) sites that are excited through a deep defect trap; (3) sites that cannot be excited at all including the majority of the main sites. We interpret this finding to indicate that the ion in this environment is not very efficient in trapping excitation and that the indirect excitation involving other traps depends on the ion/trap distance. Many of the main sites are far away from these traps and cannot be excited through this channel at all. The efficiency of excitation is highest for the deep traps, indicating that it would be desirable to enrich the respective site, as has been done with some success in the IGE grown samples.

  17. Localized proton spectroscopy without water suppression: removal of gradient induced frequency modulations by modulus signal selection.

    Science.gov (United States)

    Serrai, Haçène; Clayton, David B; Senhadji, Lotfi; Zuo, Chun; Lenkinski, Robert E

    2002-01-01

    Most Magnetic Resonance Spectroscopy (MRS) localization methods can generate gradient vibrations at acoustic frequencies and/or magnetic field oscillation, which can cause a time-varying magnetic field superimposed onto the static one. This effect can produce frequency modulations of the spectral resonances. When localized MRS data are acquired without water suppression, the associated frequency modulations are manifested as a manifold of spurious peaks, called sidebands, which occur symmetrically around the water resonance. These sidebands can be larger than the small metabolite resonances and can present a problem for the quantitation of the spectra, especially at short echo times. Furthermore, the resonance lineshapes may be distorted if any low frequency modulations are present. A simple solution is presented which consists of selecting the modulus of the acquired Free Induction Decay (FID) signal. Since the frequency modulations affect only the phase of the FID signal, the obtained real spectrum of the modulus is free from the spurious peaks where quantitative results may be directly obtained. Using this method, the distortions caused by the sidebands are removed. This is demonstrated by processing proton MRS spectra acquired without water suppression collected from a phantom containing metabolites at concentrations comparable to those in human brain and from a human subject using two different localization methods (PRESS and Chemical Shift Imaging PRESS-(CSI)). The results obtained illustrate the ability of this approach to remove the spurious peaks. The corrected spectra can then be fit accurately. This is confirmed by the results obtained from both the relative and the absolute metabolites concentrations in phantoms and in vivo.

  18. Photoacoustic and nephelometric spectroscopy of aerosol optical properties with a supercontinuum light source

    Science.gov (United States)

    Sharma, N.; Arnold, I. J.; Moosmüller, H.; Arnott, W. P.; Mazzoleni, C.

    2013-12-01

    A novel multi-wavelength photoacoustic-nephelometer spectrometer (SC-PNS) has been developed for the optical characterization of atmospheric aerosol particles. This instrument integrates a white light supercontinuum laser with photoacoustic and nephelometric spectroscopy to measure aerosol absorption and scattering coefficients at five wavelength bands (centered at 417, 475, 542, 607, and 675 nm). These wavelength bands are selected from the continuous spectrum of the laser (ranging from 400-2200 nm) using a set of optical interference filters. Absorption and scattering measurements on laboratory-generated aerosol samples were performed sequentially at each wavelength band. To test the instrument we measured the wavelength dependence of absorption and scattering coefficients of kerosene soot and common salt aerosols. Results were favorably compared to those obtained with a commercial 3-wavelength photoacoustic and nephelometer instrument demonstrating the utility of the SC light source for studies of aerosol optical properties at selected wavelengths. Here, we discuss instrument design, development, calibration, performance and experimental results.

  19. Through a Window, Brightly: A Review of Selected Nanofabricated Thin-Film Platforms for Spectroscopy, Imaging, and Detection.

    Science.gov (United States)

    Dwyer, Jason R; Harb, Maher

    2017-09-01

    We present a review of the use of selected nanofabricated thin films to deliver a host of capabilities and insights spanning bioanalytical and biophysical chemistry, materials science, and fundamental molecular-level research. We discuss approaches where thin films have been vital, enabling experimental studies using a variety of optical spectroscopies across the visible and infrared spectral range, electron microscopies, and related techniques such as electron energy loss spectroscopy, X-ray photoelectron spectroscopy, and single molecule sensing. We anchor this broad discussion by highlighting two particularly exciting exemplars: a thin-walled nanofluidic sample cell concept that has advanced the discovery horizons of ultrafast spectroscopy and of electron microscopy investigations of in-liquid samples; and a unique class of thin-film-based nanofluidic devices, designed around a nanopore, with expansive prospects for single molecule sensing. Free-standing, low-stress silicon nitride membranes are a canonical structural element for these applications, and we elucidate the fabrication and resulting features-including mechanical stability, optical properties, X-ray and electron scattering properties, and chemical nature-of this material in this format. We also outline design and performance principles and include a discussion of underlying material preparations and properties suitable for understanding the use of alternative thin-film materials such as graphene.

  20. Characterisation Of Polysacharides And Lipids From Selected Green Algae Species By FTIR-ATR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Bartošová Alica

    2015-06-01

    Full Text Available Fourier transform infrared (FTIR spectroscopy was used in this study to identify and determine spectral features of Chromochloris zofingiensis (Dönz Fucíková et L.A. Lewis (SAG 211-14, Gottingen, Germany, Acutodesmus obliguus (Turpin Hegewald (SAG 276-1, Gottingen, Germany and Chlorella sorokiniana (K. Brandt Pröschold et Darienko (SAG 211-40c, Gottingen, Germany. Polysaccharides and lipids from these three algae species were determined using Fourier Transformed Infrared Spectroscopy (FTIR with ATR accessory with diamante crystal in spectral range from 400 – 4000 cm−1 and resolution 4.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-08-01

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

  2. UV-Vis spectroscopy of tyrosine side-groups in studies of protein structure. Part 2: selected applications.

    Science.gov (United States)

    Antosiewicz, Jan M; Shugar, David

    2016-06-01

    In Part 2 we discuss application of several different types of UV-Vis spectroscopy, such as normal, difference, and second-derivative UV absorption spectroscopy, fluorescence spectroscopy, linear and circular dichroism spectroscopy, and Raman spectroscopy, of the side-chain of tyrosine residues in different molecular environments. We review the ways these spectroscopies can be used to probe complex protein structures.

  3. Photon-trap spectroscopy of mass-selected ions in an ion trap: optical absorption and magneto-optical effects.

    Science.gov (United States)

    Terasaki, Akira; Majima, Takuya; Kondow, Tamotsu

    2007-12-21

    A novel experimental technique has been developed to observe a trace of optical absorption of free mass-selected ions. The technique combines a linear radio-frequency ion trap with a high-finesse optical cavity to perform cavity ring-down spectroscopy (photon-trap spectroscopy for generality), where the storage lifetime of photons in the cavity provides a sensitivity high enough to probe the trapped ions. Absorption spectra of the manganese ion Mn(+) are presented, showing hyperfine structures for the (7)P(2,3,4)<--(7)S(3) transitions in the ultraviolet range. Implementation of a solenoidal magnet allows us to observe the Zeeman splitting and the Faraday rotation as well.

  4. Characterisation of PDO olive oil Chianti Classico by non-selective (UV-visible, NIR and MIR spectroscopy) and selective (fatty acid composition) analytical techniques.

    Science.gov (United States)

    Casale, M; Oliveri, P; Casolino, C; Sinelli, N; Zunin, P; Armanino, C; Forina, M; Lanteri, S

    2012-01-27

    An authentication study of the Italian PDO (protected designation of origin) extra virgin olive oil Chianti Classico was performed; UV-visible (UV-vis), Near-Infrared (NIR) and Mid-Infrared (MIR) spectroscopies were applied to a set of samples representative of the whole Chianti Classico production area. The non-selective signals (fingerprints) provided by the three spectroscopic techniques were utilised both individually and jointly, after fusion of the respective profile vectors, in order to build a model for the Chianti Classico PDO olive oil. Moreover, these results were compared with those obtained by the gas chromatographic determination of the fatty acids composition. In order to characterise the olive oils produced in the Chianti Classico PDO area, UNEQ (unequal class models) and SIMCA (soft independent modelling of class analogy) were employed both on the MIR, NIR and UV-vis spectra, individually and jointly, and on the fatty acid composition. Finally, PLS (partial least square) regression was applied on the UV-vis, NIR and MIR spectra, in order to predict the content of oleic and linoleic acids in the extra virgin olive oils. UNEQ, SIMCA and PLS were performed after selection of the relevant predictors, in order to increase the efficiency of both classification and regression models. The non-selective information obtained from UV-vis, NIR and MIR spectroscopy allowed to build reliable models for checking the authenticity of the Italian PDO extra virgin olive oil Chianti Classico. Copyright © 2011 Elsevier B.V. All rights reserved.

  5. Wavelength Selection Method Based on Differential Evolution for Precise Quantitative Analysis Using Terahertz Time-Domain Spectroscopy.

    Science.gov (United States)

    Li, Zhi; Chen, Weidong; Lian, Feiyu; Ge, Hongyi; Guan, Aihong

    2017-12-01

    Quantitative analysis of component mixtures is an important application of terahertz time-domain spectroscopy (THz-TDS) and has attracted broad interest in recent research. Although the accuracy of quantitative analysis using THz-TDS is affected by a host of factors, wavelength selection from the sample's THz absorption spectrum is the most crucial component. The raw spectrum consists of signals from the sample and scattering and other random disturbances that can critically influence the quantitative accuracy. For precise quantitative analysis using THz-TDS, the signal from the sample needs to be retained while the scattering and other noise sources are eliminated. In this paper, a novel wavelength selection method based on differential evolution (DE) is investigated. By performing quantitative experiments on a series of binary amino acid mixtures using THz-TDS, we demonstrate the efficacy of the DE-based wavelength selection method, which yields an error rate below 5%.

  6. Selection of representative calibration sample sets for near-infrared reflectance spectroscopy to predict nitrogen concentration in grasses

    DEFF Research Database (Denmark)

    Shetty, Nisha; Rinnan, Åsmund; Gislum, René

    2012-01-01

    squares regression (PLSR), a chemometric method, has been applied on NIR spectroscopy data for the determination of the nitrogen (N) concentration in these grass samples. The sample selection method based on NIR spectral data proposed by Puchwein and the CADEX (computer aided design of experiments......) algorithm were used and compared. Both Puchwein and CADEX methods provide a calibration set equally distributed in space, and both methods require a minimum prior of knowledge. The samples were also selected randomly using complete random, cultivar random (year fixed), year random (cultivar fixed......) and interaction (cultivar × year fixed) random procedures to see the influence of different factors on sample selection. Puchwein's method performed best with lowest RMSEP followed by CADEX, interaction random, year random, cultivar random and complete random. Out of 118 samples of the complete calibration set...

  7. Biogenic unmodified gold nanoparticles for selective and quantitative detection of cerium using UV-vis spectroscopy and photon correlation spectroscopy (DLS).

    Science.gov (United States)

    Priyadarshini, E; Pradhan, N; Panda, P K; Mishra, B K

    2015-06-15

    The ability of self-functionalized biogenic GNPs towards highly selective colorimetric detection of rare earth element cerium is being reported for the first time. GNPs underwent rapid aggregation on addition of cerium indicated by red shift of SPR peak followed by complete precipitation. Hereby, this concept of co-ordination of cerium ions onto the GNP surface has been utilized for detection of cerium. The remarkable capacity of GNPs to sensitively detect Ce without proves beneficial compared to previous reports of colorimetric sensing. MDL was 15 and 35 ppm by DLS and UV-vis spectroscopy respectively, suggesting DLS to be highly sensitive and a practical alternative in ultrasensitive detection studies. The sensing system showed a good linear fit favouring feasible detection of cerium in range of 2-50 ppm. Similar studies further showed the superior selectivity of biogenic GNPs compared to chemically synthesized counterparts. The sensing system favours on-site analysis as it overcomes need of complex instrumentation, lengthy protocols and surface modification of GNP. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Improvements of the DANTE-Z sequence for band-selective excitation: application to multidimensional NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Roumestand, C.; Toma, F. (CEA Centre d' Etudes de Saclay, 91 - Gif-sur-Yvette (France). Dept. d' Ingenierie et d' Etudes des Proteines)

    1994-06-01

    New developments of the DANTE-Z sequence (1) are presented. Particularly, improvements of the shape of the excitation profile are described. The easy implementation of DANTE-Z in the classic multidimensional homo- or heteronuclear experiments, and its numerous advantages (clean excitation profile, absence of phase gradient and of amplitude distortions, no need of instrumental adjustments...) make this sequence the easier way to perform band-selective excitation in NMR spectroscopy. Most of these modifications have been checked on a sample of protein (toxin [gamma] from Naja nigricollis (2)) dissolved in water. (authors). 13 refs., 4 figs.

  9. Isotope selective analysis of CO2 with tunable diode laser (TDL) spectroscopy in the NIR

    OpenAIRE

    Hörner, Gerald; Lau, Steffen; Kantor, Zoltan; Löhmannsröben, Hans-Gerd

    2006-01-01

    The performance of a home-built tunable diode laser (TDL) spectrometer, aimed at multi-line detection of carbon dioxide, has been evaluated and optimized. In the regime of the (3001)III / (000) band of 12CO2 around 1.6 μm, the dominating isotope species 12CO2, 13CO2, and 12C18O16O were detected simultaneously without interference by water vapor. Detection limits in the range of few ppmv were obtained for each species utilizing wavelength modulation (WM) spectroscopy with balanced detection in...

  10. Microalgal process-monitoring based on high-selectivity spectroscopy tools: status and future perspectives

    DEFF Research Database (Denmark)

    Podevin, Michael Paul Ambrose; Fotidis, Ioannis; Angelidaki, Irini

    2017-01-01

    microalgae production towards process automation through multivariate process control (MVPC) and software sensors trained on “big data”. The paper will also include a comprehensive overview of off-line implementations of vibrational spectroscopy in microalgal research as it pertains to spectral......-value chemicals in a biorefinery concept. On-line and in-line monitoring of macromolecules such as lipids, proteins, carbohydrates, and high-value pigments will be more critical to maintain product quality and consistency for downstream processing in a biorefinery to maintain and valorize these markets. The main...

  11. Soft X-ray photoemission spectroscopy of selected neurotransmitters in the gas phase

    Energy Technology Data Exchange (ETDEWEB)

    Maris, Assimo; Melandri, Sonia; Evangelisti, Luca; Caminati, Walther [Dipartimento di Chimica ' G. Ciamician' dell' Universita, Via Selmi 2, I-40126 Bologna (Italy); Giuliano, Barbara M. [Departamento de Quimica da Universidade de Coimbra, 3004-535 Coimbra (Portugal); Plekan, Oksana [Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste (Italy); Feyer, Vitaliy [Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste (Italy); Electronic Properties (PGI-6), Peter Gruenberg Institute, Forschungszentrum Juelich GmbH, Leo-Brandt-Strasse, 52428 Juelich (Germany); Richter, Robert [Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste (Italy); Coreno, Marcello [CNR-IMIP, Montelibretti, I-00016 Rome (Italy); Prince, Kevin C., E-mail: kevin.prince@elettra.trieste.it [Sincrotrone Trieste, in Area Science Park, I-34149 Basovizza, Trieste (Italy); CNR-IOM, Laboratorio TASC, I-34149 Basovizza, Trieste (Italy)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer Neurotransmitter molecules. Black-Right-Pointing-Pointer Photoelectron spectroscopy. Black-Right-Pointing-Pointer Electronic structure. Black-Right-Pointing-Pointer Weak hydrogen bonding. -- Abstract: The valence molecular orbitals and core levels of tyramine, tryptamine and tryptophol in the gas phase have been studied using X-ray photoelectron spectroscopy (XPS) and theoretical methods. The energies of the outer valence region spectrum are found to be in agreement with previously reported He I spectra, while new data on the inner valence molecular orbitals are reported. The structures in the carbon, nitrogen and oxygen core level spectra of these molecules have been identified and assigned. These compounds are characterised by conformers with hydrogen bonding in which the {pi} systems of the phenol and indole groups act as hydrogen acceptors, but a spectroscopic signature of this hydrogen bond was not observed. This is in contrast with our previous spectra of amino acids, where conformers with specific hydrogen bonding showed strong effects in core level spectra. We attribute the difference to the weaker strength of the {pi}-hydrogen bonding.

  12. The Optimal Leaf Biochemical Selection for Mapping Species Diversity Based on Imaging Spectroscopy

    Directory of Open Access Journals (Sweden)

    Yujin Zhao

    2016-03-01

    Full Text Available Remote sensing provides a consistent form of observation for biodiversity monitoring across space and time. However, the regional mapping of forest species diversity is still difficult because of the complexity of species distribution and overlapping tree crowns. A new method called “spectranomics” that maps forest species richness based on leaf chemical and spectroscopic traits using imaging spectroscopy was developed by Asner and Martin. In this paper, we use this method to detect the relationships among the spectral, biochemical and taxonomic diversity of tree species, based on 20 dominant canopy species collected in a subtropical forest study site in China. Eight biochemical components (chlorophyll, carotenoid, specific leaf area, equivalent water thickness, nitrogen, phosphorus, cellulose and lignin are quantified by spectral signatures (R2 = 0.57–0.85, p < 0.01. We also find that the simulated maximum species number based on the eight optimal biochemical components is approximately 15, which is suitable for most 30 m × 30 m forest sites within this study area. This research may support future work on regional species diversity mapping using airborne imaging spectroscopy.

  13. Investigation of the wavelength dependence of laser stratigraphy on Cu and Ni coatings using LIBS compared to a pure thermal ablation model

    Science.gov (United States)

    Paulis, Evgeniya; Pacher, Ulrich; Weimerskirch, Morris J. J.; Nagy, Tristan O.; Kautek, Wolfgang

    2017-12-01

    In this study, galvanic coatings of Cu and Ni, typically applied in industrial standard routines, were investigated. Ablation experiments were carried out using the first two harmonic wavelengths of a pulsed Nd:YAG laser and the resulting plasma spectra were analysed using a linear Pearson correlation method. For both wavelengths the absorption/ablation behaviour as well as laser-induced breakdown spectroscopy (LIBS) depth profiles were studied varying laser fluences between 4.3-17.2 J/cm^2 at 532 nm and 2.9-11.7 J/cm^2 at 1064 nm. The LIBS-stratigrams were compared with energy-dispersive X-ray spectroscopy of cross-sections. The ablation rates were calculated and compared to theoretical values originating from a thermal ablation model. Generally, higher ablation rates were obtained with 532 nm light for both materials. The light-plasma interaction is suggested as possible cause of the lower ablation rates in the infrared regime. Neither clear evidence of the pure thermal ablation, nor correlation with optical properties of investigated materials was obtained.

  14. Isotope selective analysis of CO(2) with tunable diode laser (TDL) spectroscopy in the NIR.

    Science.gov (United States)

    Horner, Gerald; Lau, Steffen; Kantor, Zoltan; Lohmannsroben, Hans-Gerd

    2004-08-01

    The performance of a home-built tunable diode laser (TDL) spectrometer, aimed at multi-line detection of carbon dioxide, has been evaluated and optimized. In the regime of the (30(0)1)(III) spectroscopy with balanced detection in a long-path absorption cell set-up. High sensitivity in conjunction with high precision -- typically +/-1 (per thousand) and +/-6 (per thousand) for 3% and 0.7% of CO(2), respectively -- renders this experimental approach a promising analytical concept for isotope-ratio determination of carbon dioxide in soil and breath gas. For a moderate (12)CO(2) line, the pressure dependence of the line profile was characterized in detail, to account for pressure effects on sensitive measurements.

  15. Sensitive and selective detection of OH radicals using Faraday rotation spectroscopy at 2.8 µm.

    Science.gov (United States)

    Zhao, Weixiong; Wysocki, Gerard; Chen, Weidong; Fertein, Eric; Le Coq, David; Petitprez, Denis; Zhang, Weijun

    2011-01-31

    We report on the development of a Faraday rotation spectroscopy (FRS) instrument using a DFB diode laser operating at 2.8 µm for the hydroxyl (OH) free radical detection. The highest absorption line intensity and the largest gJ value make the Q (1.5) double lines of the 2Π3/2 state (υ = 1 ← 0) at 2.8 µm clearly the best choice for sensitive detection in the infrared region by FRS. The prototype instrument shows shot-noise dominated performance and, with an active optical pathlength of only 25 cm and a lock-in time constant of 100 ms, achieves a 1σ detection limit of 8.2 × 10(8) OH radicals/cm3.

  16. Site- and phase-selective x-ray absorption spectroscopy based on phase-retrieval calculation.

    Science.gov (United States)

    Kawaguchi, Tomoya; Fukuda, Katsutoshi; Matsubara, Eiichiro

    2017-03-22

    Understanding the chemical state of a particular element with multiple crystallographic sites and/or phases is essential to unlocking the origin of material properties. To this end, resonant x-ray diffraction spectroscopy (RXDS) achieved through a combination of x-ray diffraction (XRD) and x-ray absorption spectroscopy (XAS) techniques can allow for the measurement of diffraction anomalous fine structure (DAFS). This is expected to provide a peerless tool for electronic/local structural analyses of materials with complicated structures thanks to its capability to extract spectroscopic information about a given element at each crystallographic site and/or phase. At present, one of the major challenges for the practical application of RXDS is the rigorous determination of resonant terms from observed DAFS, as this requires somehow determining the phase change in the elastic scattering around the absorption edge from the scattering intensity. This is widely known in the field of XRD as the phase problem. The present review describes the basics of this problem, including the relevant background and theory for DAFS and a guide to a newly-developed phase-retrieval method based on the logarithmic dispersion relation that makes it possible to analyze DAFS without suffering from the intrinsic ambiguities of conventional iterative-fitting. Several matters relating to data collection and correction of RXDS are also covered, with a final emphasis on the great potential of powder-sample-based RXDS (P-RXDS) to be used in various applications relevant to practical materials, including antisite-defect-type electrode materials for lithium-ion batteries.

  17. Quantification of pharmaceuticals via transmission Raman spectroscopy: data sub-selection.

    Science.gov (United States)

    Burley, Jonathan C; Aina, Adeyinka; Matousek, Pavel; Brignell, Christopher

    2014-01-07

    We report the first systematic characterisation of data sub-selection with multivariate analysis to be applied to either TRS or the low-wavenumber Raman region. A model pharmaceutical formulation comprising two polymorphs mixed in the range of 1-99% is investigated. For data sub-selection, sparse partial least squares is for the first time applied to TRS data and compared with principal component analysis. It is found that low-wavenumber data (50-340 cm(-1)) are demonstrably superior for quantitative modelling than data in the more conventional mid-wavenumber range (340-2000 cm(-1)). Our results point the way to enhanced quantitative analytical capabilities for TRS, with potential application areas including pharmaceuticals, security and process-analytical technology, by combining data sub-selection with low-wavenumber-capable optics.

  18. High spin spectroscopy near the N=Z line: Channel selection and excitation energy systematics

    Energy Technology Data Exchange (ETDEWEB)

    Svensson, C.E.; Cameron, J.A.; Flibotte, S. [McMaster Univ., Ontario (Canada)] [and others

    1996-12-31

    The total {gamma}-ray and charged-particle energies emitted in fusion-evaporation reactions leading to N=Z compound systems in the A = 50-70 mass region have been measured with the 8{pi} {gamma}-ray spectrometer and the miniball charged-particle detector array. A new method of channel selection has been developed which combines particle identification with these total energy measurements and greatly improves upon the selectivity possible with particle detection alone. In addition, the event by event measurement of total {gamma}-ray energies using the BGO ball of the 8{pi} spectrometer has allowed a determination of excitation energies following particle evaporation for a large number of channels in several different reactions. The new channel selection procedure and excitation energy systematics are illustrated with data from the reaction of {sup 24}Mg on {sup 40}Ca at E{sub lab} = 80MeV.

  19. Day 3 embryo selection by metabolomic profiling of culture medium with near-infrared spectroscopy as an adjunct to morphology: a randomized controlled trial

    NARCIS (Netherlands)

    Vergouw, C.G.; Kieslinger, D.C.; Kostelijk, E.H.; Botros, L.L.; Schats, R.; Hompes, P.G.A.; Sakkas, D.; Lambalk, C.B.

    2012-01-01

    study question: Is the selection of a single Day 3 embryo by metabolomic profiling of culture medium with near-infrared (NIR) spectroscopy as an adjunct to morphology able to improve live birth rates in IVF, compared with embryo selection by morphology alone? summary answer: The live birth rate

  20. Keck DEIMOS Spectroscopy of a GALEX UV-Selected Sample from the Medium Imaging Survey

    Science.gov (United States)

    Mallery, Ryan P.; Rich, R. Michael; Salim, Samir; Small, Todd; Charlot, Stephane; Seibert, Mark; Wyder, Ted; Barlow, Tom A.; Forster, Karl; Friedman, Peter G.; Martin, D. Christopher; Morrissey, Patrick; Neff, Susan G.; Schiminovich, David; Bianchi, Luciana; Donas, José; Heckman, Timothy M.; Lee, Young-Wook; Madore, Barry F.; Milliard, Bruno; Szalay, Alex S.; Welsh, Barry Y.; Yi, Sukyoung

    2007-12-01

    We report results from a pilot program to obtain spectroscopy for objects detected in the Galaxy Evolution Explorer (GALEX) Medium Imaging Survey (MIS). Our study examines the properties of galaxies detected by GALEX fainter than the Sloan Digital Sky Survey (SDSS) spectroscopic survey. This is the first study to extend the techniques of Salim and coworkers to estimate stellar masses, star formation rates (SFRs), and the b (star formation history) parameter for star-forming galaxies out to z~0.7. We obtain redshifts for 50 GALEX MIS sources reaching NUV=23.9 (AB mag) having counterparts in the SDSS Data Release 4 (DR4). Of our sample, 43 are star-forming galaxies with z1 are QSOs, 3 of which are not previously cataloged. We compare our sample to a much larger sample of ~50,000 matched GALEX/SDSS galaxies with SDSS spectroscopy; while our survey is shallow, the optical counterparts to our sources reach ~3 mag fainter in SDSS r than the SDSS spectroscopic sample. We use emission-line diagnostics for the galaxies to determine that the sample contains mostly star-forming galaxies. The galaxies in the sample populate the blue sequence in the NUV-r versus Mr color-magnitude diagram. The derived stellar masses of the galaxies range from 108 to 1011 Msolar, and derived SFRs are between 10-1 and 102 Msolar yr-1. Our sample has SFRs, luminosities, and velocity dispersions that are similar to the samples of faint compact blue galaxies studied previously in the same redshift range by Koo and collaborators, Guzmán and collaborators, and Phillips and collaborators. However, our sample is ~2 mag fainter in surface brightness than the compact blue galaxies. We find that the star formation histories for a majority of the galaxies are consistent with a recent starburst within the last 100 Myr. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of

  1. Measurement of Ultrafast Excitonic Dynamics of Few-Layer MoS2 Using State-Selective Coherent Multidimensional Spectroscopy.

    Science.gov (United States)

    Czech, Kyle J; Thompson, Blaise J; Kain, Schuyler; Ding, Qi; Shearer, Melinda J; Hamers, Robert J; Jin, Song; Wright, John C

    2015-12-22

    We report the first coherent multidimensional spectroscopy study of a MoS2 film. A four-layer sample of MoS2 was synthesized on a silica substrate by a simplified sulfidation reaction and characterized by absorption and Raman spectroscopy, atomic force microscopy, and transmission electron microscopy. State-selective coherent multidimensional spectroscopy (CMDS) on the as-prepared MoS2 film resolved the dynamics of a series of diagonal and cross-peak features involving the spin-orbit split A and B excitonic states and continuum states. The spectra are characterized by striped features that are similar to those observed in CMDS studies of quantum wells where the continuum states contribute strongly to the initial excitation of both the diagonal and cross-peak features, while the A and B excitonic states contributed strongly to the final output signal. The strong contribution from the continuum states to the initial excitation shows that the continuum states are coupled to the A and B excitonic states and that fast intraband relaxation is occurring on a sub-70 fs time scale. A comparison of the CMDS excitation signal and the absorption spectrum shows that the relative importance of the continuum states is determined primarily by their absorption strength. Diagonal and cross-peak features decay with a 680 fs time constant characteristic of exciton recombination and/or trapping. The short time dynamics are complicated by coherent and partially coherent pathways that become important when the excitation pulses are temporally overlapped. In this region, the coherent dynamics create diagonal features involving both the excitonic states and continuum states, while the partially coherent pathways contribute to cross-peak features.

  2. Rapid assessment of selected free amino acids during Edam cheese ripening by near infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Jiří Mlček

    2013-01-01

    Full Text Available The study focuses on rapid determination of free amino acids produced during the ripening of cheese, by using near infrared spectroscopy. Analyses of 96 samples of Edam cheese (30% and 45% of fat in dry matter were performed at monthly intervals up to the ripening age of 6 months. In total, 19 amino acids were analysed with infrared spectrometer using two different methods, either in the regime of reflectance in the integrating sphere of the apparatus or using a fibre optic apparatus with the fibre optic probe. Reference data based on high-performance liquid chromatography were used for calibration of the spectrophotometer. Calibration models were developed using a partial least square algorithm and tested by means of cross-validation. When measured with the integrating sphere and with the probe, the values of correlation coefficients ranged from 0.835 to 0.993 and from 0.739 to 0.995, respectively. Paired t-test did not show significant differences between the reference and predicted values (P < 0.05. The results of this new calibration method showed the possibility of near infrared technology for fast determination of free amino acids, which occur during the ripening of Edam cheese. The content of free amino acids allow us to prepare Edam cheese quickly and efficiently for sale or to prepare the material for processed cheese.

  3. Site selective real-time measurements of atmospheric N2O isotopomers by laser spectroscopy

    Directory of Open Access Journals (Sweden)

    W. A. Brand

    2012-07-01

    Full Text Available We describe the first high precision real-time analysis of the N2O site-specific isotopic composition at ambient mixing ratios. Our technique is based on mid-infrared quantum cascade laser absorption spectroscopy (QCLAS combined with an automated preconcentration unit. The QCLAS allows for simultaneous and specific analysis of the three main stable N2O isotopic species, 14N15N16O, 15N14N16O, 14N14N16O, and the respective site-specific relative isotope ratio differences δ15Nα and δ 15Nβ. Continuous, stand-alone operation is achieved by using liquid nitrogen free N2O preconcentration, a quasi-room-temperature quantum cascade laser (QCL, quantitative sample transfer to the QCLAS and an optimized calibration algorithm. The N2O site-specific isotopic composition (δ15Nα and δ15Nβ can be analysed with a long-term precision of 0.2‰. The potential of this analytical tool is illustrated by continuous N2O isotopomer measurements above a grassland plot over a three week period, which allowed identification of microbial source and sink processes.

  4. Sulfur K-edge absorption spectroscopy on selected biological systems; Schwefel-K-Kanten-Absorptionsspektroskopie an ausgewaehlten biologischen Systemen

    Energy Technology Data Exchange (ETDEWEB)

    Lichtenberg, Henning

    2008-07-15

    Sulfur is an essential element in organisms. In this thesis investigations of sulfur compounds in selected biological systems by XANES (X-ray Absorption Near Edge Structure) spectroscopy are reported. XANES spectroscopy at the sulfur K-edge provides an excellent tool to gain information about the local environments of sulfur atoms in intact biological samples - no extraction processes are required. Spatially resolved measurements using a Kirkpatrick-Baez mirror focusing system were carried out to investigate the infection of wheat leaves by rust fungi. The results give information about changes in the sulfur metabolism of the host induced by the parasite and about the extension of the infection into visibly uninfected plant tissue. Furthermore, XANES spectra of microbial mats from sulfidic caves were measured. These mats are dominated by microbial groups involved in cycling sulfur. Additionally, the influence of sulfate deprivation and H{sub 2}S exposure on sulfur compounds in onion was investigated. To gain an insight into the thermal degradation of organic material the influence of roasting of sulfur compounds in coffee beans was studied. (orig.)

  5. A comparison of multivariate analysis techniques and variable selection strategies in a laser-induced breakdown spectroscopy bacterial classification

    Energy Technology Data Exchange (ETDEWEB)

    Putnam, Russell A., E-mail: putnamr@uwindsor.ca [Department of Physics, University of Windsor, Windsor, Ontario N9B 3P4 (Canada); Mohaidat, Qassem I., E-mail: q.muhaidat@yu.edu.jo [Department of Physics, Yarmouk University, Irbid 21163 (Jordan); Daabous, Andrew, E-mail: daabousa@uwindsor.ca [Department of Physics, University of Windsor, Windsor, Ontario N9B 3P4 (Canada); Rehse, Steven J., E-mail: rehse@uwindsor.ca [Department of Physics, University of Windsor, Windsor, Ontario N9B 3P4 (Canada)

    2013-09-01

    Laser-induced breakdown spectroscopy has been used to obtain spectral fingerprints from live bacterial specimens from thirteen distinct taxonomic bacterial classes representative of five bacterial genera. By taking sums, ratios, and complex ratios of measured atomic emission line intensities three unique sets of independent variables (models) were constructed to determine which choice of independent variables provided optimal genus-level classification of unknown specimens utilizing a discriminant function analysis. A model composed of 80 independent variables constructed from simple and complex ratios of the measured emission line intensities was found to provide the greatest sensitivity and specificity. This model was then used in a partial least squares discriminant analysis to compare the performance of this multivariate technique with a discriminant function analysis. The partial least squares discriminant analysis possessed a higher true positive rate, possessed a higher false positive rate, and was more effective at distinguishing between highly similar spectra from closely related bacterial genera. This suggests it may be the preferred multivariate technique in future species-level or strain-level classifications. - Highlights: • Laser-induced breakdown spectroscopy was used to classify bacteria by genus. • We examine three different independent variable down selection models. • A PLS-DA returned higher rates of true positives than a DFA. • A PLS-DA returned higher rates of false positives than a DFA. • A PLS-DA was better able to discriminate similar spectra compared to DFA.

  6. Optical wavelength selection for portable hemoglobin determination by near-infrared spectroscopy method

    Science.gov (United States)

    Tian, Han; Li, Ming; Wang, Yue; Sheng, Dinggao; Liu, Jun; Zhang, Linna

    2017-11-01

    Hemoglobin concentration is commonly used in clinical medicine to diagnose anemia, identify bleeding, and manage red blood cell transfusions. The golden standard method for determining hemoglobin concentration in blood requires reagent. Spectral methods were advantageous at fast and non-reagent measurement. However, model calibration with full spectrum is time-consuming. Moreover, it is necessary to use a few variables considering size and cost of instrumentation, especially for a portable biomedical instrument. This study presents different wavelength selection methods for optical wavelengths for total hemoglobin concentration determination in whole blood. The results showed that modelling using only two wavelengths combination (1143 nm, 1298 nm) can keep on the fine predictability with full spectrum. It appears that the proper selection of optical wavelengths can be more effective than using the whole spectra for determination hemoglobin in whole blood. We also discussed the influence of water absorptivity on the wavelength selection. This research provides valuable references for designing portable NIR instruments determining hemoglobin concentration, and may provide some experience for noninvasive hemoglobin measurement by NIR methods.

  7. Enhanced detection of aldehydes in Extra-Virgin Olive Oil by means of band selective NMR spectroscopy

    Science.gov (United States)

    Dugo, Giacomo; Rotondo, Archimede; Mallamace, Domenico; Cicero, Nicola; Salvo, Andrea; Rotondo, Enrico; Corsaro, Carmelo

    2015-02-01

    High resolution Nuclear Magnetic Resonance (NMR) spectroscopy is a very powerful tool for comprehensive food analyses and especially for Extra-Virgin Olive Oils (EVOOs). We use the NMR technique to study the spectral region of aldehydes (8-10 ppm) for EVOOs coming from the south part of Italy. We perform novel experiments by using mono and bidimensional band selective spin-echo pulse sequences and identify four structural classes of aldehydes in EVOOs. For the first time such species are identified in EVOOs without any chemical treatment; only dilution with CDCl3 is employed. This would allow the discrimination of different EVOOs for the aldehydes content increasing the potentiality of the NMR technique in the screening of metabolites for geographical characterization of EVOOs.

  8. A twin Frisch-grid ionization chamber as a selective detector for the delayed gamma-spectroscopy of fission fragments

    Energy Technology Data Exchange (ETDEWEB)

    Gaudefroy, L., E-mail: laurent.gaudefroy@cea.fr [CEA, DAM, DIF, F-91297 Arpajon (France); Roger, T., E-mail: roger@ganil.fr [GANIL, CEA/DSM-CNRS/IN2P3, BP 55027, F-14076 Caen (France); Pancin, J., E-mail: pancin@ganil.fr [GANIL, CEA/DSM-CNRS/IN2P3, BP 55027, F-14076 Caen (France); Spitaels, C. [GANIL, CEA/DSM-CNRS/IN2P3, BP 55027, F-14076 Caen (France); Aupiais, J. [CEA, DAM, DIF, F-91297 Arpajon (France); Mottier, J. [Institut de Physique Nucléaire, Université Paris-Sud-11-CNRS-IN2P3, F-91406 Orsay (France)

    2017-05-21

    We present a twin Frisch-grid ionization chamber. The detector is meant to provide high selective power for the study of delayed gamma-ray spectroscopy of fission fragments produced via {sup 252}Cf spontaneous fission. A mean energy resolution on the kinetic energy of fission fragments of 675 keV (FWHM) is achieved and allows us to resolve masses of fragments for fission events where neutron emission is not energetically possible. The mean mass resolution measured for these particular events amounts to 0.54 mass units (FWHM). For fission events with neutron emission a resolution of 4 mass units (FWHM) is reported. Information on fragment emission angle is measured with a resolution of 0.1 on the difference of the cosines determined for both halves of the detector. A charge resolution of 4.5 charge units (FWHM) is also demonstrated.

  9. Tunneling Spectroscopy Studies of Urea, Thiourea, and Selected Phosphonate Molecules Adsorbed on Aluminum Oxide

    Science.gov (United States)

    Crowder, Charles D.

    Experimental and calculated inelastic electron tunneling intensities were compared for several of the vibrational modes of thiourea adsorbed on aluminum oxide. The partial charge model of Kirtley, Scalapino, and Hansma was used to compute the theoretical intensities of each mode. The required partial charges were determined using a method developed by Momany. Essentially, the Coulomb potential resulting from point charges located at atom sites was fitted to the quantum mechanical electrostatic potential of a molecule calculated from Hartree-Fock theory. The effect of a vibrational mode pattern on the electrostatic potential of a molecule was investigated. This effect could not be acceptably modeled with a single point charge located on each atom, so one charge was used to represent the positive nucleus of each atom and a second charge was used to represent the valence cloud. The valence charge was allowed to move independently of the nuclear charge during a molecular vibration, and the motions of the two charges were found to be very different for hydrogen atoms. This model gave very reasonable agreement between the theoretical and observed relative intensities for the in plane vibrational modes of thiourea. An acceptable set of out of plane force constants could not be found. This caused problems in the interpretation of the out of plane relative intensities. Based on the in plane modes, it was concluded that thiourea bonded to aluminum oxide with the sulfur atom near the oxide and the sulfur-carbon bond perpendicular to the aluminum oxide surface. Quantum mechanical electrostatic potentials were also calculated for urea, phosphoric acid (PA), methylphosphonic acid (MPA), hydroxymethylphosphonic acid (HMP), and nitrotrismethylphosphonic acid (NTMP). Electron tunneling spectra were taken for PA, HMP and NTMP, and the observed frequencies were compared to values obtained from Fourier transform infrared, infrared and Raman spectroscopy. Upward shifts in the P=O and P

  10. Spectroscopy and reactivity of size-selected Mg+-methanol clusters

    Science.gov (United States)

    Lee, James I.; Sperry, David C.; Farrar, James M.

    2001-04-01

    This work presents photodissociation spectra of Mg+(CH3OD)n (n=1-5). Mass spectrometry of the parent cluster ions shows that C-H bond cleavage occurs in the ground electronic state. The branching ratios for products of photodissociation show strong selectivity; methyl loss is the exclusive quenching channel in n=1, while a unique pathway that eliminates CH3D occurs in n=2. Methyl loss does not occur for clusters with more than three solvent molecules. The maximum of spectral intensity shifts to the red with increasing cluster size until halting at n=3. These data signal the formation of a solvent shell at a relatively small size. As the cluster size increases, ligand loss and D atom loss become overwhelmingly favored. We address the selectivity in the products in terms of the initial photoexcited state, nonadiabatic coupling to the ground state potential energy surface, and subsequent dissociation and product formation dictated by dynamics on the ground state surface.

  11. Variables selection: A critical issue for quantitative laser-induced breakdown spectroscopy

    Science.gov (United States)

    Guezenoc, Julian; Bassel, Léna; Gallet-Budynek, Anne; Bousquet, Bruno

    2017-08-01

    In this paper, we demonstrate the importance of variable selection on the prediction ability of LIBS quantitative partial least squares (PLS) models. The spectral lines of potassium at 766.49 nm and 769.90 nm were considered in the framework of an agricultural soils analysis. Univariate models demonstrating very poor correlation between the peak areas of the potassium lines and the related concentration values, a series of PLS models allowed to significantly improve the prediction ability compared to the univariate approach. This improvement was due to advanced variable selection, achieved through the use of two output data provided after PLS calculation, namely the Variable Importance in Projection (VIP) and the Coefficients graph. In this demonstration, the gain was significant because the two spectral lines of potassium at 766.49 nm and 769.90 nm exhibited unusual profiles. Indeed, including in a PLS model only the variables related to the edges of these lines allowed a significant improvement of its predictive ability (Q2 = 0.84, RMSE = 1.49 g/kg) compared to another PLS model only including the variables related to the central parts of these lines (Q2 = 0.78, RMSE = 1.59 g/kg).

  12. Spatial Hadamard encoding of J-edited spectroscopy using slice-selective editing pulses.

    Science.gov (United States)

    Chan, Kimberly L; Oeltzschner, Georg; Schär, Michael; Barker, Peter B; Edden, Richard A E

    2017-05-01

    A new approach for simultaneous dual-voxel J-difference spectral editing is described, which uses spatially selective spectral-editing pulses and Hadamard encoding. A theoretical framework for spatial Hadamard editing and reconstruction for parallel acquisition (SHERPA) was developed, applying gradient pulses during the frequency-selective editing pulses. Spectral simulations were performed for either one (gamma-aminobutyric acid, GABA) or two molecules (glutathione and lactate) simultaneously detected in two voxels. The method was tested in a two-compartment GABA phantom, and finally applied to the left and right hemispheres of 10 normal control subjects, scanned at 3 T. SHERPA was successfully implemented at 3 T and gave results in close agreement with conventional MEGA-PRESS scans in both the phantom and in vivo experiments. Simulations for GABA editing for (3 cm)3 voxels in the left and right hemispheres suggest that both editing efficiency losses and contamination between voxels are about 2%. Compared with conventional single-voxel single-metabolite J-difference editing, two- or fourfold acceleration is possible without significant loss of SNR using the SHERPA method. Unlike some other dual-voxel methods, the method can be used with single-channel receiver coils, and there is no SNR loss due to unfavorable receive-coil geometry factors. Copyright © 2017 John Wiley & Sons, Ltd.

  13. Gas-phase fluorescence excitation and emission spectroscopy of mass-selected trapped molecular ions.

    Science.gov (United States)

    Bian, Qunzhou; Forbes, Matthew W; Talbot, Francis O; Jockusch, Rebecca A

    2010-03-20

    A flexible interface to perform optical spectroscopic measurements on gaseous ions stored in a modified commercial quadrupole ion trap (QIT) mass spectrometer is described. The modifications made to the mass spectrometer did not adversely affect its operating characteristics. Gas-phase ions are produced using electrospray ionization, mass isolated and stored in the trapping mass spectrometer. The ions are subsequently irradiated with visible light from a tunable laser and dispersed fluorescence spectra are recorded simultaneously. Mass spectra are recorded after the irradiation period. This set-up allows us to track a range of possible outcomes upon photoexcitation of selected ions including fluorescence, photofragmentation and photodetachment of electrons. The experimental set-up is characterized using rhodamine 590, which is a methyl ester variant of rhodamine 6G. Fluorescence excitation and emission spectra of gaseous rhodamine 590 are measured and compared with solution-phase spectra. Excitation and emission maxima for the gaseous ions are found to lie at higher energy than for the solvated rhodamine 590. In addition, the gas-phase Stokes shift is significantly smaller than the solution-phase Stokes shift. The effects of several experimental parameters on the observed fluorescence signal are investigated, including laser power, relative number of ions, q(z) trapping parameter and buffer gas pressure. In addition to its use for the photophysical characterization of the intrinsic properties of ionic chromophores, this set-up may be used to investigate the properties of mass-selected, dye-labeled biomolecules, both alone and in well-defined complexes and clusters.

  14. Selective ablation of Copper-Indium-Diselenide solar cells monitored by laser-induced breakdown spectroscopy and classification methods

    Energy Technology Data Exchange (ETDEWEB)

    Diego-Vallejo, David [Technische Universität Berlin, Institute of Optics and Atomic Physics, Straße des 17, Juni 135, 10623 Berlin (Germany); Laser- und Medizin- Technologie Berlin GmbH (LMTB), Applied Laser Technology, Fabeckstr. 60-62, 14195 Berlin (Germany); Ashkenasi, David, E-mail: d.ashkenasi@lmtb.de [Laser- und Medizin- Technologie Berlin GmbH (LMTB), Applied Laser Technology, Fabeckstr. 60-62, 14195 Berlin (Germany); Lemke, Andreas [Laser- und Medizin- Technologie Berlin GmbH (LMTB), Applied Laser Technology, Fabeckstr. 60-62, 14195 Berlin (Germany); Eichler, Hans Joachim [Technische Universität Berlin, Institute of Optics and Atomic Physics, Straße des 17, Juni 135, 10623 Berlin (Germany); Laser- und Medizin- Technologie Berlin GmbH (LMTB), Applied Laser Technology, Fabeckstr. 60-62, 14195 Berlin (Germany)

    2013-09-01

    Laser-induced breakdown spectroscopy (LIBS) and two classification methods, i.e. linear correlation and artificial neural networks (ANN), are used to monitor P1, P2 and P3 scribing steps of Copper-Indium-Diselenide (CIS) solar cells. Narrow channels featuring complete removal of desired layers with minimum damage on the underlying film are expected to enhance efficiency of solar cells. The monitoring technique is intended to determine that enough material has been removed to reach the desired layer based on the analysis of plasma emission acquired during multiple pass laser scribing. When successful selective scribing is achieved, a high degree of similarity between test and reference spectra has to be identified by classification methods in order to stop the scribing procedure and avoid damaging the bottom layer. Performance of linear correlation and artificial neural networks is compared and evaluated for two spectral bandwidths. By using experimentally determined combinations of classifier and analyzed spectral band for each step, classification performance achieves errors of 7, 1 and 4% for steps P1, P2 and P3, respectively. The feasibility of using plasma emission for the supervision of processing steps of solar cell manufacturing is demonstrated. This method has the potential to be implemented as an online monitoring procedure assisting the production of solar cells. - Highlights: • LIBS and two classification methods were used to monitor CIS solar cells processing. • Selective ablation of thin-film solar cells was improved with inspection system. • Customized classification method and analyzed spectral band enhanced performance.

  15. In Situ SIMS and IR Spectroscopy of Well-Defined Surfaces Prepared by Soft Landing of Mass-Selected Ions

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Grant E.; Gunaratne, Kalupathirannehelage Don D.; Laskin, Julia

    2014-06-16

    Soft landing of mass-selected ions onto surfaces is a powerful approach for the highly-controlled preparation of materials that are inaccessible using conventional synthesis techniques. Coupling soft landing with in situ characterization using secondary ion mass spectrometry (SIMS) and infrared reflection absorption spectroscopy (IRRAS) enables analysis of well-defined surfaces under clean vacuum conditions. The capabilities of three soft-landing instruments constructed in our laboratory are illustrated for the representative system of surface-bound organometallics prepared by soft landing of mass-selected ruthenium tris(bipyridine) dications, [Ru(bpy)3]2+, onto carboxylic acid terminated self-assembled monolayer surfaces on gold (COOH-SAMs). In situ time-of-flight (TOF)-SIMS provides insight into the reactivity of the soft-landed ions. In addition, the kinetics of charge reduction, neutralization and desorption occurring on the COOH-SAM both during and after ion soft landing are studied using in situ Fourier transform ion cyclotron resonance (FT-ICR)-SIMS measurements. In situ IRRAS experiments provide insight into how the structure of organic ligands surrounding metal centers is perturbed through immobilization of organometallic ions on COOH-SAM surfaces by soft landing. Collectively, the three instruments provide complementary information about the chemical composition, reactivity and structure of well-defined species supported on surfaces.

  16. Highly selective detection of carbon monoxide in living cells by palladacycle carbonylation-based surface enhanced Raman spectroscopy nanosensors.

    Science.gov (United States)

    Cao, Yue; Li, Da-Wei; Zhao, Li-Jun; Liu, Xiao-Yuan; Cao, Xiao-Ming; Long, Yi-Tao

    2015-10-06

    A novel nanosensor was explored for the highly selective detection of intracellular carbon monoxide (CO) by surface enhanced Raman spectroscopy (SERS) on the basis of palladacycle carbonylation. By assembling new synthesized palladacycles (PC) on the surface of gold nanoparticles (AuNPs), SERS nanosensors (AuNP/PC) were prepared with good SERS activity and reactivity with CO. When the AuNP/PC nanosensors were incubated with a CO-containing system, carbonylation of the PC assembled on AuNPs was initiated, and the corresponding SERS spectra of AuNP/PC changed significantly, which allowed the carbonylation reaction to be directly observed in situ. Upon SERS observation of CO-dependent carbonylation, this SERS nanosensor was used for the detection of CO under physiological conditions. Moreover, benefiting from the specificity of the reaction coupled with the fingerprinting feature of SERS, the developed nanosensor demonstrated high selectivity over other biologically relevant species. In vivo studies further indicated that CO in normal human liver cells and HeLa cells at concentrations as low as 0.5 μM were successfully detected with the proposed SERS strategy, demonstrating its great promise for the analytical requirements in studies of physiopathological events involved with CO.

  17. Fourier-transform-infrared-spectroscopy based spectral-biomarker selection towards optimum diagnostic differentiation of oral leukoplakia and cancer.

    Science.gov (United States)

    Banerjee, Satarupa; Pal, Mousumi; Chakrabarty, Jitamanyu; Petibois, Cyril; Paul, Ranjan Rashmi; Giri, Amita; Chatterjee, Jyotirmoy

    2015-10-01

    In search of specific label-free biomarkers for differentiation of two oral lesions, namely oral leukoplakia (OLK) and oral squamous-cell carcinoma (OSCC), Fourier-transform infrared (FTIR) spectroscopy was performed on paraffin-embedded tissue sections from 47 human subjects (eight normal (NOM), 16 OLK, and 23 OSCC). Difference between mean spectra (DBMS), Mann-Whitney's U test, and forward feature selection (FFS) techniques were used for optimising spectral-marker selection. Classification of diseases was performed with linear and quadratic support vector machine (SVM) at 10-fold cross-validation, using different combinations of spectral features. It was observed that six features obtained through FFS enabled differentiation of NOM and OSCC tissue (1782, 1713, 1665, 1545, 1409, and 1161 cm(-1)) and were most significant, able to classify OLK and OSCC with 81.3 % sensitivity, 95.7 % specificity, and 89.7 % overall accuracy. The 43 spectral markers extracted through Mann-Whitney's U Test were the least significant when quadratic SVM was used. Considering the high sensitivity and specificity of the FFS technique, extracting only six spectral biomarkers was thus most useful for diagnosis of OLK and OSCC, and to overcome inter and intra-observer variability experienced in diagnostic best-practice histopathological procedure. By considering the biochemical assignment of these six spectral signatures, this work also revealed altered glycogen and keratin content in histological sections which could able to discriminate OLK and OSCC. The method was validated through spectral selection by the DBMS technique. Thus this method has potential for diagnostic cost minimisation for oral lesions by label-free biomarker identification.

  18. CO2-selective methanol steam reforming on In-doped Pd studied by in situ X-ray photoelectron spectroscopy

    Science.gov (United States)

    Rameshan, Christoph; Lorenz, Harald; Mayr, Lukas; Penner, Simon; Zemlyanov, Dmitry; Arrigo, Rosa; Haevecker, Michael; Blume, Raoul; Knop-Gericke, Axel; Schlögl, Robert; Klötzer, Bernhard

    2012-01-01

    In situ X-ray photoelectron spectroscopy (in situ XPS) was used to study the structural and catalytic properties of Pd–In near-surface intermetallic phases in correlation with previously studied PdZn and PdGa. Room temperature deposition of ∼4 monolayer equivalents (MLEs) of In metal on Pd foil and subsequent annealing to 453 K in vacuum yields a ∼1:1 Pd/In near-surface multilayer intermetallic phase. This Pd1In1 phase exhibits a similar “Cu-like” electronic structure and indium depth distribution as its methanol steam reforming (MSR)-selective multilayer Pd1Zn1 counterpart. Catalytic characterization of the multilayer Pd1In1 phase in MSR yielded a CO2-selectivity of almost 100% between 493 and 550 K. In contrast to previously studied In2O3-supported PdIn nanoparticles and pure In2O3, intermediate formaldehyde is only partially converted to CO2 using this Pd1In1 phase. Strongly correlated with PdZn, on an In-diluted PdIn intermetallic phase with “Pd-like” electronic structure, prepared by thermal annealing at 623 K, methanol steam reforming is suppressed and enhanced CO formation via full methanol dehydrogenation is observed. To achieve CO2-TOF values on the isolated Pd1In1 intermetallic phase as high as on supported PdIn/In2O3, at least 593 K reaction temperature is required. A bimetal-oxide synergism, with both bimetallic and oxide synergistically contributing to the observed catalytic activity and selectivity, manifests itself by accelerated formaldehyde-to-CO2 conversion at markedly lowered temperatures as compared to separate oxide and bimetal. Combination of suppression of full methanol dehydrogenation to CO on Pd1In1 inhibited inverse water–gas-shift reaction on In2O3 and fast water activation/conversion of formaldehyde is the key to the low-temperature activity and high CO2-selectivity of the supported catalyst. PMID:23226689

  19. CO(2)-selective methanol steam reforming on In-doped Pd studied by in situ X-ray photoelectron spectroscopy.

    Science.gov (United States)

    Rameshan, Christoph; Lorenz, Harald; Mayr, Lukas; Penner, Simon; Zemlyanov, Dmitry; Arrigo, Rosa; Haevecker, Michael; Blume, Raoul; Knop-Gericke, Axel; Schlögl, Robert; Klötzer, Bernhard

    2012-11-01

    In situ X-ray photoelectron spectroscopy (in situ XPS) was used to study the structural and catalytic properties of Pd-In near-surface intermetallic phases in correlation with previously studied PdZn and PdGa.Room temperature deposition of ∼4 monolayer equivalents (MLEs) of In metal on Pd foil and subsequent annealing to 453 K in vacuum yields a ∼1:1 Pd/In near-surface multilayer intermetallic phase. This Pd(1)In(1) phase exhibits a similar "Cu-like" electronic structure and indium depth distribution as its methanol steam reforming (MSR)-selective multilayer Pd(1)Zn(1) counterpart.Catalytic characterization of the multilayer Pd(1)In(1) phase in MSR yielded a CO(2)-selectivity of almost 100% between 493 and 550 K. In contrast to previously studied In(2)O(3)-supported PdIn nanoparticles and pure In(2)O(3), intermediate formaldehyde is only partially converted to CO(2) using this Pd(1)In(1) phase. Strongly correlated with PdZn, on an In-diluted PdIn intermetallic phase with "Pd-like" electronic structure, prepared by thermal annealing at 623 K, methanol steam reforming is suppressed and enhanced CO formation via full methanol dehydrogenation is observed.To achieve CO(2)-TOF values on the isolated Pd(1)In(1) intermetallic phase as high as on supported PdIn/In(2)O(3), at least 593 K reaction temperature is required. A bimetal-oxide synergism, with both bimetallic and oxide synergistically contributing to the observed catalytic activity and selectivity, manifests itself by accelerated formaldehyde-to-CO(2) conversion at markedly lowered temperatures as compared to separate oxide and bimetal. Combination of suppression of full methanol dehydrogenation to CO on Pd(1)In(1) inhibited inverse water-gas-shift reaction on In(2)O(3) and fast water activation/conversion of formaldehyde is the key to the low-temperature activity and high CO(2)-selectivity of the supported catalyst.

  20. MR imaging and proton spectroscopy of the breast: how to select the images useful to convey the diagnostic message.

    Science.gov (United States)

    Fausto, A; Magaldi, A; Babaei Paskeh, B; Menicagli, L; Lupo, E N; Sardanelli, F

    2007-10-01

    The purpose of this study was to propose a short way to summarise a breast magnetic resonance (MR) examination including a precontrast and contrast-enhanced dynamic study and proton spectroscopy (1H-MRS) in order to convey the diagnostic message. At the Department of Radiology of the Policlinico San Donato (University of Milan), breast MR is routinely performed at 1.5 T as follows: 36-slice axial 2D short-time inversion-recovery (STIR) sequence; 128-partition 3D gradient-echo coronal sequence (1-mm3 siotropic voxel) before and after rapid automatic intravenous injection of 0.1 mmol/kg of Gd-DOTA (one precontrast and four postcontrast phases). Postprocessing includes temporal subtraction (postcontrast minus precontrast), maximum intensity projections (MIPs), percent enhancement-to-time curves for small regions of interest, and axial and/or sagittal multiplanar reconstructions. Single-voxel 1H-MRS is acquired to characterise focal lesions. Applying this protocol, more than 1,200 images are generated for each examination. We select only four MIPs of an early subtracted dynamic phase: one axial similar to craniocaudal x-ray mammographic views, one coronal, and two lateral similar to lateral 90 degrees x-ray mammographic views. For each lesion described in the report, we select five items, including three images, one graph, and one table: STIR image, precontrast and subtracted postcontrast images (morphology), percent enhancement-to-time curves and a table of raw data generating the curves (dynamics). If 1H-MRS has been performed, we add other five items: two postprocessed spectra (metabolism) and three images localising the volume of interest. Only the selected items are printed on films and attached to the report. The selected items range usually from four (no detected lesion) to 14 (one lesion, studied also with 1H-MRS), to 44 (five lesions, one of them studied also with 1H-MRS). The percentage of items presented with the report if compared with the total number of

  1. Improvement of Depth Profiling into Biotissues Using Micro Electrical Impedance Spectroscopy on a Needle with Selective Passivation

    Directory of Open Access Journals (Sweden)

    Joho Yun

    2016-12-01

    Full Text Available A micro electrical impedance spectroscopy (EIS-on-a-needle for depth profiling (μEoN-DP with a selective passivation layer (SPL on a hypodermic needle was recently fabricated to measure the electrical impedance of biotissues along with the penetration depths. The SPL of the μEoN-DP enabled the sensing interdigitated electrodes (IDEs to contribute predominantly to the measurement by reducing the relative influence of the connection lines on the sensor output. The discrimination capability of the μEoN-DP was verified using phosphate-buffered saline (PBS at various concentration levels. The resistance and capacitance extracted through curve fitting were similar to those theoretically estimated based on the mixing ratio of PBS and deionized water; the maximum discrepancies were 8.02% and 1.85%, respectively. Depth profiling was conducted using four-layered porcine tissue to verify the effectiveness of the discrimination capability of the μEoN-DP. The magnitude and phase between dissimilar porcine tissues (fat and muscle were clearly discriminated at the optimal frequency of 1 MHz. Two kinds of simulations, one with SPL and the other with complete passivation layer (CPL, were performed, and it was verified that the SPL was advantageous over CPL in the discrimination of biotissues in terms of sensor output.

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

    CERN Document Server

    Fink, Daniel Andreas; Jochim, Selim

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

  3. Variability in prefrontal hemodynamic response during exposure to repeated self-selected music excerpts, a near-infrared spectroscopy study.

    Science.gov (United States)

    Moghimi, Saba; Schudlo, Larissa; Chau, Tom; Guerguerian, Anne-Marie

    2015-01-01

    Music-induced brain activity modulations in areas involved in emotion regulation may be useful in achieving therapeutic outcomes. Clinical applications of music may involve prolonged or repeated exposures to music. However, the variability of the observed brain activity patterns in repeated exposures to music is not well understood. We hypothesized that multiple exposures to the same music would elicit more consistent activity patterns than exposure to different music. In this study, the temporal and spatial variability of cerebral prefrontal hemodynamic response was investigated across multiple exposures to self-selected musical excerpts in 10 healthy adults. The hemodynamic changes were measured using prefrontal cortex near infrared spectroscopy and represented by instantaneous phase values. Based on spatial and temporal characteristics of these observed hemodynamic changes, we defined a consistency index to represent variability across these domains. The consistency index across repeated exposures to the same piece of music was compared to the consistency index corresponding to prefrontal activity from randomly matched non-identical musical excerpts. Consistency indexes were significantly different for identical versus non-identical musical excerpts when comparing a subset of repetitions. When all four exposures were compared, no significant difference was observed between the consistency indexes of randomly matched non-identical musical excerpts and the consistency index corresponding to repetitions of the same musical excerpts. This observation suggests the existence of only partial consistency between repeated exposures to the same musical excerpt, which may stem from the role of the prefrontal cortex in regulating other cognitive and emotional processes.

  4. Physical Selectivity of Molecularly Imprinted polymers evaluated through free volume size distributions derived from Positron Lifetime Spectroscopy

    Science.gov (United States)

    Pasang, T.; Ranganathaiah, C.

    2015-06-01

    The technique of imprinting molecules of various sizes in a stable structure of polymer matrix has derived multitudes of applications. Once the template molecule is extracted from the polymer matrix, it leaves behind a cavity which is physically (size and shape) and chemically (functional binding site) compatible to the particular template molecule. Positron Annihilation Lifetime Spectroscopy (PALS) is a well known technique to measure cavity sizes precisely in the nanoscale and is not being used in the field of MIPs effectively. This method is capable of measuring nanopores and hence suitable to understand the physical selectivity of the MIPs better. With this idea in mind, we have prepared molecular imprinted polymers (MIPs) with methacrylicacid (MAA) as monomer and EGDMA as cross linker in different molar ratio for three different size template molecules, viz. 4-Chlorophenol (4CP)(2.29 Å), 2-Nephthol (2NP) (3.36 Å) and Phenolphthalein (PP) (4.47Å). FTIR and the dye chemical reactions are used to confirm the complete extraction of the template molecules from the polymer matrix. The free volume size and its distribution have been derived from the measured o-Ps lifetime spectra. Based on the free volume distribution analysis, the percentage of functional cavities for the three template molecules are determined. Percentage of functional binding cavities for 4-CP molecules has been found out to be 70.2% and the rest are native cavities. Similarly for 2NP it is 81.5% and nearly 100% for PP. Therefore, PALS method proves to be very precise and accurate for determining the physical selectivity of MIPs.

  5. New Insights on Gas Hydroquinone Clathrates Using in Situ Raman Spectroscopy: Formation/Dissociation Mechanisms, Kinetics, and Capture Selectivity.

    Science.gov (United States)

    Coupan, Romuald; Péré, Eve; Dicharry, Christophe; Torré, Jean-Philippe

    2017-07-27

    Hydroquinone (HQ) is known to form organic clathrates with different gaseous species over a wide range of pressures and temperatures. However, the enclathration reaction involving HQ is not fully understood. This work offers new elements of understanding HQ clathrate formation and dissociation mechanisms. The kinetics and selectivity of the enclathration reaction were also investigated. The focus was placed on HQ clathrates formed with CO2 and CH4 as guest molecules for potential use in practical applications for the separation of a CO2/CH4 gas mixture. The structural transition from the native form (α-HQ) to the clathrate form (β-HQ), as well as the reverse process, were tracked using in situ Raman spectroscopy. The clathrate formation was conducted at 323 K and 3.0 MPa, and the dissociation was conducted at 343 K and 1.0 kPa. The experiments with CH4 confirmed that a small amount of gas can fill the α-HQ before the phase transition from α- to β-HQ begins. The dissociation of the CO2-HQ clathrates highlighted the presence of a clathrate structure with no guest molecules. We can therefore conclude that HQ clathrate formation and dissociation are two-step reactions that pass through two distinct reaction intermediates: guest-loaded α-HQ and guest-free β-HQ. When an equimolar CO2/CH4 gas mixture is put in contact with either the α-HQ or the guest-free β-HQ, the CO2 is preferentially captured. Moreover, the guest-free β-HQ can retain the CO2 quicker and more selectively.

  6. THE CHANDRA MULTI-WAVELENGTH PROJECT: OPTICAL SPECTROSCOPY AND THE BROADBAND SPECTRAL ENERGY DISTRIBUTIONS OF X-RAY-SELECTED AGNs

    Energy Technology Data Exchange (ETDEWEB)

    Trichas, Markos; Green, Paul J.; Aldcroft, Tom; Kim, Dong-Woo; Mossman, Amy [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States); Silverman, John D. [Institute for the Physics and Mathematics of the Universe (IPMU), University of Tokyo, Kashiwanoha 5-1-5, Kashiwa-shi, Chiba 277-8568 (Japan); Barkhouse, Wayne [Department of Physics and Astrophysics, University of North Dakota, Grand Forks, ND 58202 (United States); Cameron, Robert A. [W. W. Hansen Experimental Physics Laboratory, Kavli Institute for Particle Astrophysics and Cosmology, Department of Physics and SLAC National Accelerator Laboratory, Stanford University, Stanford, CA 94305 (United States); Constantin, Anca [Department of Physics and Astronomy, James Madison University, PHCH, Harrisonburg, VA 22807 (United States); Ellison, Sara L. [Department of Physics and Astronomy, University of Victoria, Victoria, BC V8P 1A1 (Canada); Foltz, Craig [Division of Astronomical Sciences, National Science Foundation, 4201 Wilson Blvd., Arlington, VA 22230 (United States); Haggard, Daryl [Center for Interdisciplinary Exploration and Research in Astrophysics, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208 (United States); Jannuzi, Buell T. [NOAO, Kitt Peak National Observatory, Tucson, AZ 85726 (United States); Marshall, Herman L. [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, MA 02139 (United States); Perez, Laura M. [Department of Astronomy, California Institute of Technology, 1200 East California Blvd, Pasadena, CA 91125 (United States); Romero-Colmenero, Encarni [South African Astronomical Observatory, P.O. Box 9, Observatory, 7935 (South Africa); Ruiz, Angel [Osservatorio Astronomico di Brera-INAF, Milan (Italy); Smith, Malcolm G., E-mail: mtrichas@cfa.harvard.edu [Cerro Tololo Interamerican Observatory, La Serena (Chile); and others

    2012-06-01

    activity. We have tested the hypothesis that there should be a strong connection between X-ray obscuration and star formation but we do not find any association between X-ray column density and star formation rate both in the general population or the star-forming X-ray Seyferts. Our large compilation also allows us to report here the identification of 81 X-ray Bright Optically inactive Galaxies, 78 z > 3 X-ray sources, and eight Type-2 QSO candidates. Also, we have identified the highest redshift (z = 5.4135) X-ray-selected QSO with optical spectroscopy.

  7. Variability in prefrontal hemodynamic response during exposure to repeated self-selected music excerpts, a near-infrared spectroscopy study.

    Directory of Open Access Journals (Sweden)

    Saba Moghimi

    Full Text Available Music-induced brain activity modulations in areas involved in emotion regulation may be useful in achieving therapeutic outcomes. Clinical applications of music may involve prolonged or repeated exposures to music. However, the variability of the observed brain activity patterns in repeated exposures to music is not well understood. We hypothesized that multiple exposures to the same music would elicit more consistent activity patterns than exposure to different music. In this study, the temporal and spatial variability of cerebral prefrontal hemodynamic response was investigated across multiple exposures to self-selected musical excerpts in 10 healthy adults. The hemodynamic changes were measured using prefrontal cortex near infrared spectroscopy and represented by instantaneous phase values. Based on spatial and temporal characteristics of these observed hemodynamic changes, we defined a consistency index to represent variability across these domains. The consistency index across repeated exposures to the same piece of music was compared to the consistency index corresponding to prefrontal activity from randomly matched non-identical musical excerpts. Consistency indexes were significantly different for identical versus non-identical musical excerpts when comparing a subset of repetitions. When all four exposures were compared, no significant difference was observed between the consistency indexes of randomly matched non-identical musical excerpts and the consistency index corresponding to repetitions of the same musical excerpts. This observation suggests the existence of only partial consistency between repeated exposures to the same musical excerpt, which may stem from the role of the prefrontal cortex in regulating other cognitive and emotional processes.

  8. Evaluation of lithium determination in three analyzers: flame emission, flame atomic absorption spectroscopy and ion selective electrode.

    Science.gov (United States)

    Aliasgharpour, Mehri; Hagani, Hamid

    2009-10-01

    Lithium carbonate salt has become an increasingly important substance in the treatment of manic depressive disorders, and its relatively narrow therapeutic range has caused laboratories to monitor the serum concentration carefully. In the present work we evaluated lithium measurement in 3 different analyzers. METHODS #ENTITYSTARTX00026; Three different analyzers including Flame Emission (FES), Flame Atomic Absorption Spectroscopy (FAAS), and Ion Selective Electrode (ISE) were used. All chemicals had a grade suitable for trace metal analysis. Within-day precision of CV was ≤ 1.5% for FES & FAAS, except for ISE (1.9% CV). Between-days precision of CV was less for FES than for FAAS and ISE (1.3% versus 2.2% & 2.3%). The percent recovery of added lithium in pooled patients' serum was higher for ISE than for FASS and FES (103.4% versus 96.2% and 94.6%). We also obtained a higher average lithium concentration for patients' serum samples (n=16) measured by ISE than for FAAS and FES (0.825±0.30 versus 0.704±0.26 & 0.735±0.19). Paired t-test results revealed a significant difference (p< 0.001) for patient sera analyzed with FAAS and ISE. We report higher results for ISE than the other two analyzers and conclude that the choice between the two flame methods for patients' serum lithium determination is arbitrary and that FES analyzer is a more attractive routine alternative for lithium determination than FAAS because of its cost and ease of performance. In addition, the results obtained by ISE are precise. However, its accuracy may depend on other interfering factors.

  9. Analysis of forchlorfenuron and thidiazuron in fruits and vegetables by surface-enhanced Raman spectroscopy after selective solid-phase extraction with modified β-cyclodextrin.

    Science.gov (United States)

    Chen, Xiaoman; Yan, Kuanglin; Xiao, Xiaohua; Li, Gongke

    2016-06-01

    β-Cyclodextrin and its derivatives can selectively bind to various organic molecules in its cavity and provide good applications in sample preparation. Surface-enhanced Raman spectroscopy is a sensitive technique and has received increasing attention in the last decade. Herein, 3,5-dimethyl phenyl carbamoylated β-cyclodextrin bonded silica gel was used as a ssorbent in solid-phase extraction to selectively enrich forchlorfenuron and thidiazuron followed by determination with surface-enhanced Raman spectroscopy. It showed excellent selectivity for forchlorfenuron and thidiazuron and the adsorption capacities were 40.0 and 30.0 μg/g, respectively. A rapid and sensitive method based on the modified β-cyclodextrin solid-phase extraction coupled with surface-enhanced Raman spectroscopy was developed. The linear ranges were 30.0-300.0 μg/L for forchlorfenuron and thidiazuron at 1005 and 640 cm(-1) , respectively. Both of the limits of detection were 15.0 μg/L, which were significantly lower than the maximum permitted by the National Standard. The recoveries of forchlorfenuron and thidiazuron were 78.9-87.9% for the spiked grape, kiwi, cucumber and tomato, with relative standard deviations of 8.1-13.2%. The results show that this method is sensitive, selective, and relatively time saving, and has great potential in the analysis of trace amounts of plant growth regulators in fruits and vegetables. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Analysis of Selected Properties of Fibreboard Panels Manufactured from Wood and Leather Using the Near Infrared Spectroscopy

    OpenAIRE

    Kerstin Wagner; Thomas Schnabel; Marius-Catalin Barbu; Alexander Petutschnigg

    2015-01-01

    This paper deals with the characterization of the properties of wood fibres leather shavings composite board by using the near infrared spectroscopy (NIRS) and multivariate data analysis. In this study fibreboards were manufactured with different leather amounts by using spruce fibres, as well as vegetable and mineral tanned leather shavings (wet white and wet blue). The NIR spectroscopy was used to analyse the raw materials as well as the wood leather fibreboards. Moreover, the physical and ...

  11. Fluorescence spectroscopy

    DEFF Research Database (Denmark)

    Bagatolli, Luis

    2016-01-01

    Fluorescence spectroscopy is a powerful experimental tool used by scientists from many disciplines. During the last decades there have been important developments on distinct fluorescence methods, particularly those related to the study of biological phenomena. This chapter discusses...... the foundations of the fluorescence phenomenon, introduces some general methodologies and provides selected examples on applications focused to disentangle structural and dynamical aspects of biological processes....

  12. A quick method based on SIMPLISMA-KPLS for simultaneously selecting outlier samples and informative samples for model standardization in near infrared spectroscopy

    Science.gov (United States)

    Li, Li-Na; Ma, Chang-Ming; Chang, Ming; Zhang, Ren-Cheng

    2017-12-01

    A novel method based on SIMPLe-to-use Interactive Self-modeling Mixture Analysis (SIMPLISMA) and Kernel Partial Least Square (KPLS), named as SIMPLISMA-KPLS, is proposed in this paper for selection of outlier samples and informative samples simultaneously. It is a quick algorithm used to model standardization (or named as model transfer) in near infrared (NIR) spectroscopy. The NIR experiment data of the corn for analysis of the protein content is introduced to evaluate the proposed method. Piecewise direct standardization (PDS) is employed in model transfer. And the comparison of SIMPLISMA-PDS-KPLS and KS-PDS-KPLS is given in this research by discussion of the prediction accuracy of protein content and calculation speed of each algorithm. The conclusions include that SIMPLISMA-KPLS can be utilized as an alternative sample selection method for model transfer. Although it has similar accuracy to Kennard-Stone (KS), it is different from KS as it employs concentration information in selection program. This means that it ensures analyte information is involved in analysis, and the spectra (X) of the selected samples is interrelated with concentration (y). And it can be used for outlier sample elimination simultaneously by validation of calibration. According to the statistical data results of running time, it is clear that the sample selection process is more rapid when using KPLS. The quick algorithm of SIMPLISMA-KPLS is beneficial to improve the speed of online measurement using NIR spectroscopy.

  13. Analysis of Selected Properties of Fibreboard Panels Manufactured from Wood and Leather Using the Near Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Kerstin Wagner

    2015-01-01

    Full Text Available This paper deals with the characterization of the properties of wood fibres leather shavings composite board by using the near infrared spectroscopy (NIRS and multivariate data analysis. In this study fibreboards were manufactured with different leather amounts by using spruce fibres, as well as vegetable and mineral tanned leather shavings (wet white and wet blue. The NIR spectroscopy was used to analyse the raw materials as well as the wood leather fibreboards. Moreover, the physical and mechanical features of the wood leather composite fibreboards were determined to characterize their properties for the further data analysis. The NIR spectra were analysed by univariate and multivariate methods using the Principal Component Analysis (PCA and the Partial Least Squares Regression (PLSR method. These results demonstrate the potential of FT-NIR spectroscopy to estimate the physical and mechanical properties (e.g., bending strength. This phenomenon provides a possibility for quality assurance systems by using the NIRS.

  14. Simultaneous determination of amino acid nitrogen and total acid in soy sauce using near infrared spectroscopy combined with characteristic variables selection.

    Science.gov (United States)

    Zhao, Jiewen; Ouyang, Qin; Chen, Quansheng; Lin, Hao

    2013-08-01

    Amino acid nitrogen and total acid are two most important quality indices to assess the quality of soy sauce in China. This work employed near infrared spectroscopy combined with synergy interval partial least square and genetic algorithm to detect amino acid nitrogen and total acid content in soy sauce. First, synergy interval partial least square was used to select efficient spectral regions from the full spectrum region; and then, genetic algorithm was used to selected variables from the efficient spectral regions, to build partial least square model. The optimal genetic algorithm synergy interval partial least square models were obtained as follows: Rc  = 0.9988 and Rp = 0.9988 for amino acid nitrogen content model using 64 variables; Rc = 0.9917 and Rp = 0.9902 for total acid content model using 81 variables. Genetic algorithm synergy interval partial least square models showed superiority over the partial least square and synergy interval partial least square models. The results indicated that amino acid nitrogen and total acid content in soy sauce could be rapidly determined by near infrared spectroscopy technique. Also, the results indicated that genetic algorithm synergy interval partial least square can improve the performance in measurement of amino acid nitrogen and total acid content by near infrared spectroscopy.

  15. Classification and quantitation of milk powder by near-infrared spectroscopy and mutual information-based variable selection and partial least squares

    Science.gov (United States)

    Chen, Hui; Tan, Chao; Lin, Zan; Wu, Tong

    2018-01-01

    Milk is among the most popular nutrient source worldwide, which is of great interest due to its beneficial medicinal properties. The feasibility of the classification of milk powder samples with respect to their brands and the determination of protein concentration is investigated by NIR spectroscopy along with chemometrics. Two datasets were prepared for experiment. One contains 179 samples of four brands for classification and the other contains 30 samples for quantitative analysis. Principal component analysis (PCA) was used for exploratory analysis. Based on an effective model-independent variable selection method, i.e., minimal-redundancy maximal-relevance (MRMR), only 18 variables were selected to construct a partial least-square discriminant analysis (PLS-DA) model. On the test set, the PLS-DA model based on the selected variable set was compared with the full-spectrum PLS-DA model, both of which achieved 100% accuracy. In quantitative analysis, the partial least-square regression (PLSR) model constructed by the selected subset of 260 variables outperforms significantly the full-spectrum model. It seems that the combination of NIR spectroscopy, MRMR and PLS-DA or PLSR is a powerful tool for classifying different brands of milk and determining the protein content.

  16. Identification of solid state fermentation degree with FT-NIR spectroscopy: Comparison of wavelength variable selection methods of CARS and SCARS

    Science.gov (United States)

    Jiang, Hui; Zhang, Hang; Chen, Quansheng; Mei, Congli; Liu, Guohai

    2015-10-01

    The use of wavelength variable selection before partial least squares discriminant analysis (PLS-DA) for qualitative identification of solid state fermentation degree by FT-NIR spectroscopy technique was investigated in this study. Two wavelength variable selection methods including competitive adaptive reweighted sampling (CARS) and stability competitive adaptive reweighted sampling (SCARS) were employed to select the important wavelengths. PLS-DA was applied to calibrate identified model using selected wavelength variables by CARS and SCARS for identification of solid state fermentation degree. Experimental results showed that the number of selected wavelength variables by CARS and SCARS were 58 and 47, respectively, from the 1557 original wavelength variables. Compared with the results of full-spectrum PLS-DA, the two wavelength variable selection methods both could enhance the performance of identified models. Meanwhile, compared with CARS-PLS-DA model, the SCARS-PLS-DA model achieved better results with the identification rate of 91.43% in the validation process. The overall results sufficiently demonstrate the PLS-DA model constructed using selected wavelength variables by a proper wavelength variable method can be more accurate identification of solid state fermentation degree.

  17. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1997-01-01

    This series describes selected advances in the area of atomic spectroscopy. It is primarily intended for the reader who has a background in atmoic spectroscopy; suitable to the novice and expert. Although a widely used and accepted method for metal and non-metal analysis in a variety of complex samples, Advances in Atomic Spectroscopy covers a wide range of materials. Each Chapter will completely cover an area of atomic spectroscopy where rapid development has occurred.

  18. Monitoring substrate and products in a bioprocess with FTIR spectroscopy coupled to artificial neural networks enhanced with a genetic-algorithm-based method for wavelength selection.

    Science.gov (United States)

    Franco, Vanina G; Perín, Juan C; Mantovani, Víctor E; Goicoechea, Héctor C

    2006-01-15

    An experiment was developed as a simple alternative to existing analytical methods for the simultaneous quantitation of glucose (substrate) and glucuronic acid (main product) in the bioprocesses Kombucha by using FTIR spectroscopy coupled to multivariate calibration (partial least-squares, PLS-1 and artificial neural networks, ANNs). Wavelength selection through a novel ranked regions genetic algorithm (RRGA) was used to enhance the predictive ability of the chemometric models. Acceptable results were obtained by using the ANNs models considering the complexity of the sample and the speediness and simplicity of the method. The accuracy on the glucuronic acid determination was calculated by analysing spiked real fermentation samples (recoveries ca. 115%).

  19. "VALIDATION OF 13C-UREA BREATH TEST WITH NON DISPERSIVE ISOTOPE SELECTIVE INFRARED SPECTROSCOPY FOR THE DIAGNOSIS OF HELICOBACTER PYLORI INFECTION: A SURVEY IN IRANIAN POPULATION"

    Directory of Open Access Journals (Sweden)

    "Davood Beiki

    2005-04-01

    Full Text Available The urea breath test (UBT which is carried out with 13C or 14C labeled urea is one of the most important non invasive methods for detection of Helicobacter pylori infection. Application of 13C-UBT is becoming increasingly popular because of its non radioactive nature which makes it suitable for diagnostic purposes in children and women of child bearing ages. While isotope ratio mass spectrometer (IRMS is generally used to detect 13C in expired breath, this instrument is expensive and recently non dispersive isotope selective infrared (NDIR spectroscopy which is a lower cost technique has been employed as a reliable counterpart for IRMS in small clinics. The aim of this study was to assess the validity of NDIR spectroscopy technique in Iranian population in comparison with histological examination, rapid urease test and 14C-urea breath test as gold standard. Seventy six patients with dyspepsia were underwent 13CUBT for diagnosis of Helicobacter pylori infection. Good agreements were found between the 13C-UBT and gold standard methods. The 13C-UBT showed 100% sensitivity, 97.3% specificity, 97.56% positive predictive value, 100% negative predictive value and 98.65% accuracy. On the basis of these results it could be concluded that 13C-UBT performed with NDIR spectroscopy is a reliable, accurate and non invasive diagnostic tool for detection of Helicobacter pylori infection in the Iranian population.

  20. Selection of Haploid Maize Kernels from Hybrid Kernels for Plant Breeding Using Near-Infrared Spectroscopy and SIMCA Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Roger W.; Reinot, Tonu; Frei, Ursula K.; Tseng, Yichia; Lübberstedt, Thomas; McClelland, John F.

    2012-04-01

    Samples of haploid and hybrid seed from three different maize donor genotypes after maternal haploid induction were used to test the capability of automated near-infrared transmission spectroscopy to individually differentiate haploid from hybrid seeds. Using a two-step chemometric analysis in which the seeds were first classified according to genotype and then the haploid or hybrid status was determined proved to be the most successful approach. This approach allowed 11 of 13 haploid and 25 of 25 hybrid kernels to be correctly identified from a mixture that included seeds of all the genotypes.

  1. Performance of a size-selected nanocluster deposition facility and in situ characterization of grown films by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Mondal, Shyamal; Bhattacharyya, S. R., E-mail: satyar.bhattacharyya@saha.ac.in [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700 064 (India)

    2014-06-15

    We report here on a newly installed gas aggregation type nanocluster deposition unit based on magnetron sputtering ion source with mass selection of the clusters by quadrupole mass filter. The system is ultra high vacuum compatible and is equipped with an in situ X-ray Photoelectron Spectroscopy facility, giving compositional information of the films formed by nanoclusters deposition on a substrate. Detailed descriptions and working of the components of the system are presented. For the characterization of the nanocluster source and associated mass filter for size selected clusters, the dependence of output performance as a function of aggregation length, sputter gas flow and magnetron power of the cluster source have been studied. Copper nanoclusters deposited on Silicon (100) surface and on transmission electron microscope grids are, respectively, studied with scanning electron microscopy and transmission electron microscopy for the morphology.

  2. Rapid measurement of total acid content (TAC) in vinegar using near infrared spectroscopy based on efficient variables selection algorithm and nonlinear regression tools.

    Science.gov (United States)

    Chen, Quansheng; Ding, Jiao; Cai, Jianrong; Zhao, Jiewen

    2012-11-15

    Total acid content (TAC) is an important index in assessing vinegar quality. This work attempted to determine TAC in vinegar using near infrared spectroscopy. We systematically studied variable selection and nonlinear regression in calibrating regression models. First, the efficient spectra intervals were selected by synergy interval PLS (Si-PLS); then, two nonlinear regression tools, which were extreme learning machine (ELM) and back propagation artificial neural network (BP-ANN), were attempted. Experiments showed that the model based on ELM and Si-PLS (Si-ELM) was superior to others, and the optimum results were achieved as follows: the root mean square error of prediction (RMSEP) was 0.2486 g/100mL, and the correlation coefficient (R(p)) was 0.9712 in the prediction set. This work demonstrated that the TAC in vinegar could be rapidly measured by NIR spectroscopy and Si-ELM algorithm showed its superiority in model calibration. Copyright © 2012 Elsevier Ltd. All rights reserved.

  3. Discrimination of selected species of pathogenic bacteria using near-infrared Raman spectroscopy and principal components analysis

    Science.gov (United States)

    de Siqueira e Oliveira, Fernanda SantAna; Giana, Hector Enrique; Silveira, Landulfo

    2012-10-01

    A method, based on Raman spectroscopy, for identification of different microorganisms involved in bacterial urinary tract infections has been proposed. Spectra were collected from different bacterial colonies (Gram-negative: Escherichia coli, Klebsiella pneumoniae, Proteus mirabilis, Pseudomonas aeruginosa and Enterobacter cloacae, and Gram-positive: Staphylococcus aureus and Enterococcus spp.), grown on culture medium (agar), using a Raman spectrometer with a fiber Raman probe (830 nm). Colonies were scraped from the agar surface and placed on an aluminum foil for Raman measurements. After preprocessing, spectra were submitted to a principal component analysis and Mahalanobis distance (PCA/MD) discrimination algorithm. We found that the mean Raman spectra of different bacterial species show similar bands, and S. aureus was well characterized by strong bands related to carotenoids. PCA/MD could discriminate Gram-positive bacteria with sensitivity and specificity of 100% and Gram-negative bacteria with sensitivity ranging from 58 to 88% and specificity ranging from 87% to 99%.

  4. No evidence that embryo selection by near-infrared spectroscopy in addition to morphology is able to improve live birth rates: results from an individual patient data meta-analysis

    NARCIS (Netherlands)

    Vergouw, C.G.; Heymans, M.W.; Hardarson, T.; Sfontouris, I.A.; Economou, K.A.; Ahlstrom, A.; Rogberg, L.; Lainas, T.G.; Sakkas, D.; Kieslinger, D.C.; Kostelijk, E.H.; Hompes, P.G.A.; Schats, R.; Lambalk, C.B.

    2014-01-01

    STUDY QUESTIONWhat is the value of embryo selection by metabolomic profiling of culture medium with near-infrared (NIR) spectroscopy as an adjunct to morphology, compared with embryo selection by morphology alone, based on an individual patient data meta-analysis (IPD MA)?SUMMARY ANSWERThe IPD MA

  5. Bimodal spectroscopy for in vivo characterization of hypertrophic skin tissue: pre-clinical experimentation, spectral data selection and classification

    Science.gov (United States)

    Liu, Honghui; Gisquet, Héloïse; Guillemin, F.; Blondel, Walter C. P. M.

    2011-07-01

    Objective: The objective of this study was two folds: firstly, we would like to investigate the efficiency of bimodal spectroscopic technique in characterization of hypertrophic scarring tissue deliberately created on a preclinical model (rabbit's ear); on the other hand, we evaluate the inhibition effect of an anti-inflammatory medication (tacrolimus) on hypertrophic formation in scar by using our bimodal spectroscopic system. Study design: This study was conducted on 20 New Zealand Rabbits receiving hypertrophic scarring treatment on their ears. Fluorescence and Diffuse Reflectance spectra were collected from each scar, amongst which some had received tacrolimus treatment. Features were extracted from corrected spectral data and analyzed to classify the scarring tissues into hypertrophic or non-hypertrophic. Diagnostic algorithms were developed with the use of k-NN classifier and validated by comparing to histological classification result with Leave-one- out cross validation. Results and discussion: The accuracy of our bimodal spectroscopy method for detecting hypertrophic scarring scar tissue was good (sensibility: 90.84%, specificity: 94.44%). The features used for classification were mainly extracted from the spectra exited at 360, 410 and 420 nm. This indicates that the difference between the spectra acquired from hypertrophic and non-hypertrophic tissue may be due to the different intensity distribution of several fluorophores (collagen,elastin and NADH) excited in this range, or to the change in proportion of tissue layers (epidermis and dermis) explored by the CEFS in use.

  6. Determination of trans Fat in Selected Fast Food Products and Hydrogenated Fats of India Using Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) Spectroscopy.

    Science.gov (United States)

    Khan, Mohd Umar; Hassan, Mohammad Fahimul; Rauf, Abdul

    2017-01-01

    This paper reports the application of a simple and rapid method for the determination of trans fatty acid (TFA) content in some of the selected Indian fast food products and hydrogenated fats using Fourier transform infrared (FTIR) spectroscopy in conjunction with second derivative procedure. FTIR spectroscopy has been successfully applied to trans measurement using the absorbance bands at or near 966 cm-1 in the FTIR spectra. It was found from the analysis that TFA content of fast food product was ranging from 1.57% to 3.83% of the total fat while for hydrogenated fats, comparatively large quantity of TFA was detected in the range of 3.31% to 4.73%. Since GC-FID is most widely used method for the determination of fatty acid (FA) composition, this method was used for the sake of comparison. Value of regression coefficient was found very close to one (0.99503) with standard deviation of 0.10247 showing a good agreement between GC-FID and proposed ATR-FTIR method.

  7. U(VI) complexation with selected flavonoids investigated by absorption and emission spectroscopy at light acidic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Guenther, Alix; Geipel, Gerhard [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Biogeochemistry

    2017-06-01

    Flavonoids are secondary plant compounds and have important properties. Beside their antioxidant activity and effects as enzyme inhibitors, they can bind metals ions. The possible release of flavonoids from the root into the soil can affect the migration of radionuclides in the biological and geological environment. In this work, the complexation behavior of selected flavonols and a flavonol glycoside towards U(VI) were spectroscopically investigated and the corresponding complex stability constants were determined.

  8. Raman spectroscopy of wurtzite and zinc-blende GaAs nanowires: Polarization dependence, selection rules, and strain effects

    Science.gov (United States)

    Zardo, I.; Conesa-Boj, S.; Peiro, F.; Morante, J. R.; Arbiol, J.; Uccelli, E.; Abstreiter, G.; Fontcuberta I Morral, A.

    2009-12-01

    Polarization-dependent Raman scattering experiments realized on single GaAs nanowires with different percentages of zinc-blende and wurtzite structure are presented. The selection rules for the special case of nanowires are found and discussed. In the case of zinc-blende, the transversal optical mode E1 (TO) at 267cm-1 exhibits the highest intensity when the incident and analyzed polarization are parallel to the nanowire axis. This is a consequence of the nanowire geometry and dielectric mismatch with the environment, and in quite good agreement with the Raman selection rules. We also find a consistent splitting of 1cm-1 of the E1 (TO). The transversal optical mode related to the wurtzite structure, E2H , is measured between 254 and 256cm-1 , depending on the wurtzite content. The azimuthal dependence of E2H indicates that the mode is excited with the highest efficiency when the incident and analyzed polarization are perpendicular to the nanowire axis, in agreement with the selection rules. The presence of strain between wurtzite and zinc-blende is analyzed by the relative shift of the E1 (TO) and E2H modes. Finally, the influence of the surface roughness in the intensity of the longitudinal optical mode on {110} facets is presented.

  9. A novel sample selection strategy by near-infrared spectroscopy-based high throughput tablet tester for content uniformity in early-phase pharmaceutical product development.

    Science.gov (United States)

    Shi, Zhenqi; Hermiller, James G; Gunter, Thomas Z; Zhang, Xiaoyu; Reed, Dave E

    2012-07-01

    This article proposes a new sample selection strategy to simplify the traditional content uniformity (CU) test in early research and development (R&D) with improved statistical confidence. This strategy originated from the prescreening of a large amount of tablets by a near-infrared spectroscopy (NIRS)-based high-volume tablet tester to the selection of extreme tablets with highest, medium, and lowest content of active pharmaceutical ingredient (API) for further high-performance liquid chromatography (HPLC) test. The NIRS-based high-volume tablet tester was equipped with an internally developed and integrated automated bagging and labeling system, allowing the traceability of every individual tablet by its measured physical and chemical signatures. A qualitative NIR model was used to translate spectral information to a concentration-related metric, that is scores, which allowed the selection of those extreme tablets. This sample selection strategy of extreme tablets was shown to provide equivalent representation of CU in the process compared with the traditional CU test using a large number of random samples. Because it only requires reference tests on three extreme samples per stratified location, the time- and labor-saving nature of this strategy is advantageous for CU test in early R&D. The extreme sampling approach is also shown to outperform random sampling with respect to statistical confidence for representing the process variation. In addition, a chemometric approach, which utilizes only pure component raw materials to develop an NIRS model sensitive to API concentration, is discussed with the advantage that it does not require tablets at multiple API levels. Prospective applications of this sample selection strategy are also addressed. Copyright © 2012 Wiley Periodicals, Inc.

  10. Site-selective time resolved laser fluorescence spectroscopy of Eu and Cm doped LaPO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Holliday, K.S.; Walther, C. [Karlsruher Institut fuer Technologie (KIT), Karlsruhe (Germany). Inst. fuer Nukleare Entsorgung; Babelot, C.; Neumeier, S.; Bosbach, D. [Forschungszentrum Juelich GmbH (DE). Inst. fuer Energie und Klimaforschung (IEK), Nukleare Entsorgung und Reaktorsicherheit (IEK-6); Stumpf, T. [Karlsruher Institut fuer Technologie (KIT), Karlsruhe (Germany). Inst. fuer Nukleare Entsorgung; Karlsruher Institut fuer Technologie (KIT), Karlsruhe (Germany). Inst. fuer Anorganische Chemie

    2012-07-01

    Samples of LaPO{sub 4} doped with Eu{sup 3+} or Cm{sup 3+} were synthesized by a hydrothermal process which resulted in a solid solution at temperatures less than conventional processing. Time resolved laser fluorescence spectroscopy was used to probe the incorporated Eu{sup 3+} or Cm{sup 3+} in order to gain structural information on its local environment. This revealed that Eu{sup 3+} and Cm{sup 3+} incorporate on the La site as expected. The emission spectrum of Eu{sup 3+} resolves the fully degenerate 5-fold splitting of the peaks in the F{sub 2} transition due to the low symmetry of the site, confirming previous calculations. A minor site in the Eu{sup 3+} doped sample is identified as coordinated with hydroxide contamination. Direct excitation of Cm{sup 3+} doped samples show the presence of 'satellite' species. Although these spectral features have been observed in Cm{sup 3+} doped LuPO{sub 4} and YPO{sub 4}, this is the first time that these satellites are resolved into their individual species. These are hypothesized to be due to a disturbance in the ideal structure which creates a break in the equivalence of the four lanthanum sites within a unit cell. The 4-fold ground state splitting of all species is identical, although slightly shifted, indicating similar environments. The fluorescence lifetimes were long (1.2 ms for Cm and 3.6 ms for Eu) indicating an absence of water in the immediate coordination sphere due to the incorporation of the doping ion. (orig.)

  11. Nuclear spectroscopy

    CERN Document Server

    Ajzenberg-Selove, Fay

    1960-01-01

    Nuclear Spectroscopy, Part B focuses on the ways in which experimental data may be analyzed to furnish information about nuclear parameters and nuclear models in terms of which the data are interpreted.This book discusses the elastic and inelastic potential scattering amplitudes, role of beta decay in nuclear physics, and general selection rules for electromagnetic transitions. The nuclear shell model, fundamental coupling procedure, vibrational spectra, and empirical determination of the complex potential are also covered. This publication is suitable for graduate students preparing for exper

  12. In vivo measurement of the local optical properties of tissue by use of differential path-length spectroscopy.

    Science.gov (United States)

    Amelink, Arjen; Sterenborg, Henricus J C M; Bard, Martin P L; Burgers, Sjaak A

    2004-05-15

    We demonstrate the capability of differential path-length spectroscopy (DPS) to determine the local optical properties of tissue in vivo. DPS measurements on bronchial mucosa are analyzed and yield information on the local blood oxygenation, blood content, average microvessel diameter, and wavelength dependence of the reduced scattering coefficient. Our data collected to date show that cancerous bronchial mucosa has a lower capillary oxygenation and a larger average capillary diameter than normal bronchial mucosa.

  13. Selectively Labeling the Heterologous Protein in Escherichia coli for NMR Studies: A Strategy to Speed Up NMR Spectroscopy

    Science.gov (United States)

    Almeida, F. C. L.; Amorim, G. C.; Moreau, V. H.; Sousa, V. O.; Creazola, A. T.; Américo, T. A.; Pais, A. P. N.; Leite, A.; Netto, L. E. S.; Giordano, R. J.; Valente, A. P.

    2001-01-01

    Nuclear magnetic resonance is an important tool for high-resolution structural studies of proteins. It demands high protein concentration and high purity; however, the expression of proteins at high levels often leads to protein aggregation and the protein purification step can correspond to a high percentage of the overall time in the structural determination process. In the present article we show that the step of sample optimization can be simplified by selective labeling the heterologous protein expressed in Escherichia coli by the use of rifampicin. Yeast thioredoxin and a coix transcription factor Opaque 2 leucine zipper (LZ) were used to show the effectiveness of the protocol. The 1H/15N heteronuclear correlation two-dimensional NMR spectrum (HMQC) of the selective 15N-labeled thioredoxin without any purification is remarkably similar to the spectrum of the purified protein. The method has high yields and a good 1H/15N HMQC spectrum can be obtained with 50 ml of M9 growth medium. Opaque 2 LZ, a difficult protein due to the lower expression level and high hydrophobicity, was also probed. The 15N-edited spectrum of Opaque 2 LZ showed only the resonances of the protein of heterologous expression (Opaque 2 LZ) while the 1H spectrum shows several other resonances from other proteins of the cell lysate. The demand for a fast methodology for structural determination is increasing with the advent of genome/proteome projects. Selective labeling the heterologous protein can speed up NMR structural studies as well as NMR-based drug screening. This methodology is especially effective for difficult proteins such as hydrophobic transcription factors, membrane proteins, and others.

  14. Micelles entrapped Cresyl Violet can selectively detect copper and mercury ions in solution: A fluorescence Correlation Spectroscopy investigation

    Science.gov (United States)

    Das, Nirmal Kumar; Ghosh, Subhadip; Jaiswal, Sunidhi; Tewary, Anu; Mukherjee, Saptarshi

    2017-08-01

    The dynamic interaction of Cresyl Violet (CV) in different micellar systems has been demonstrated in single molecular level by FCS studies. The SDS micelle entrapped CV efficiently detected Cu2+ ions in solution with a limit of detection (LOD) of 70 nM, which is further substantiated with the gradual enhancement of the translational motion. The CV entrapped in the DTAB micelles could selectively detect Hg2+ ions in solution with a LOD of 35 nM. The micelle encapsulated CV was effective in detecting these metal ions in real water samples from different sources.

  15. MOIRCS Deep Survey. VI. Near-infrared Spectroscopy of K-Selected Star-forming Galaxies at z ~ 2

    Science.gov (United States)

    Yoshikawa, Tomohiro; Akiyama, Masayuki; Kajisawa, Masaru; Alexander, David M.; Ohta, Kouji; Suzuki, Ryuji; Tokoku, Chihiro; Uchimoto, Yuka K.; Konishi, Masahiro; Yamada, Toru; Tanaka, Ichi; Omata, Koji; Nishimura, Tetsuo; Koekemoer, Anton M.; Brandt, Niel; Ichikawa, Takashi

    2010-07-01

    We present the results of near-infrared multi-object spectroscopic observations for 37 BzK-color-selected star-forming galaxies conducted with MOIRCS on the Subaru Telescope. The sample is drawn from the Ks -band-selected catalog of the MOIRCS Deep Survey in the GOODS-N region. About half of our samples are selected from the publicly available 24 μm-source catalog of the Multiband Imaging Photometer for Spitzer on board the Spitzer Space Telescope. Hα emission lines are detected from 23 galaxies, of which the median redshift is 2.12. We derived the star formation rates (SFRs) from extinction-corrected Hα luminosities. The extinction correction is estimated from the spectral energy distribution (SED) fitting of multiband photometric data covering UV to near-infrared wavelengths. The Balmer decrement of the stacked emission lines shows that the amount of extinction for the ionized gas is larger than that for the stellar continuum. From a comparison of the extinction-corrected Hα luminosity and other SFR indicators, we found that the relation between the dust properties of stellar continuum and ionized gas is different depending on the intrinsic SFR (differential extinction). We compared SFRs estimated from extinction-corrected Hα luminosities with stellar masses estimated from SED fitting. The comparison shows no correlation between SFR and stellar mass. Some galaxies with stellar mass smaller than ~1010 M sun show SFRs higher than ~100 M sun yr-1. The specific SFRs (SSFRs) of these galaxies are remarkably high; galaxies which have SSFR higher than ~10-8 yr-1 are found in eight of the present sample. From the best-fit parameters of SED fitting for these high-SSFR galaxies, we find that the average age of the stellar population is younger than 100 Myr, which is consistent with the implied high SSFR. The large SFR implies the possibility that the high-SSFR galaxies significantly contribute to the cosmic SFR density of the universe at z ~ 2. When we apply the

  16. Site-selective fluorescence spectroscopy investigations of LnPO{sub 4} xenotime ceramics for radioactive waste disposal

    Energy Technology Data Exchange (ETDEWEB)

    Hirsch, A.; Peters, L. [RWTH Aachen Univ. (Germany). Inst. of Crystallography; Holthausen, J.; Neumeier, S. [Forschungszentrum Juelich (Germany); Huittinen, Nina [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes; Loesch, Henry

    2017-06-01

    Europium incorporation in different LnPO{sub 4} (Ln=Tb, Lu and Gd{sub 1-x}Lu{sub x}) phases crystallizing in the xenotime structure was investigated with site-selective TRLFS, PXRD and Rietveld analyses. Based on recorded emission spectra and diffraction patterns, the formation of three different crystal systems (xenotime, anhydrite, and monazite) could be identified. Aging of the ceramic samples and a second sintering step led to an accumulation of europium in the grain boundaries and on the surface.

  17. Tuning excitation laser wavelength for secondary resonance in low-intensity phase-selective laser-induced breakdown spectroscopy for in-situ analytical measurement of nanoaerosols

    Science.gov (United States)

    Xiong, Gang; Li, Shuiqing; Tse, Stephen D.

    2018-02-01

    In recent years, a novel low-intensity phase-selective laser-induced breakdown spectroscopy (PS-LIBS) technique has been developed for unique elemental-composition identification of aerosolized nanoparticles, where only the solid-phase nanoparticles break down, forming nanoplasmas, without any surrounding gas-phase breakdown. Additional work has demonstrated that PS-LIBS emissions can be greatly enhanced with secondary resonant excitation by matching the excitation laser wavelength with an atomic transition line in the formed nanoplasma, thereby achieving low limits of detection. In this work, a tunable dye laser is employed to investigate the effects of excitation wavelength and irradiance on in-situ PS-LIBS measurements of TiO2 nanoaerosols. The enhancement factor by resonant excitation can be 220 times greater than that for non-resonant cases under similar conditions. Moreover, the emitted spectra are unique for the selected resonant transition lines for a given element, suggesting the potential to make precise phase-selective and analyte-selective measurements of nanoparticles in a multicomponent multiphase system. The enhancement factor by resonant excitation is highly sensitive to excitation laser wavelength, with narrow excitation spectral windows, i.e., 0.012 to 0.023 nm (FWHM, full width at half maximum) for Ti (I) neutral atomic lines, and 0.051 to 0.139 nm (FWHM) for Ti (II) single-ionized atomic lines. Boltzmann analysis of the emission intensities, temporal response of emissions, and emission dependence on excitation irradiance are investigated to understand aspects of the generated nanoplasmas such as temperature, local thermodynamic equilibrium (LTE), and excitation mechanism.

  18. Characterization of selective binding of alkali cations with carboxylate by x-ray absorption spectroscopy of liquid microjets

    Energy Technology Data Exchange (ETDEWEB)

    Saykally, Richard J; Uejio, Janel S.; Schwartz, Craig P.; Duffin, Andrew M.; Drisdell, Walter S.; Cohen, Ronald C.; Saykally, Richard J.

    2008-01-08

    We describe an approach for characterizing selective binding between oppositely charged ionic functional groups under biologically relevant conditions. Relative shifts in K-shell x-ray absorption spectra of aqueous cations and carboxylate anions indicate the corresponding binding strengths via perturbations of carbonyl antibonding orbitals. XAS spectra measured for aqueous formate and acetate solutions containing lithium, sodium, and potassium cations reveal monotonically stronger binding of the lighter metals, supporting recent results from simulations and other experiments. The carbon K-edge spectra of the acetate carbonyl feature centered near 290 eV clearly indicate a preferential interaction of sodium versus potassium, which was less apparent with formate. These results are in accord with the Law of Matching Water Affinities, relating relative hydration strengths of ions to their respective tendencies to form contact ion pairs. Density functional theory calculations of K-shell spectra support the experimental findings.

  19. Hydrothermal carbonization (HTC): near infrared spectroscopy and partial least-squares regression for determination of selective components in HTC solid and liquid products derived from maize silage.

    Science.gov (United States)

    Reza, M Toufiq; Becker, Wolfgang; Sachsenheimer, Kerstin; Mumme, Jan

    2014-06-01

    Near-infrared (NIR) spectroscopy was evaluated as a rapid method of predicting fiber components (hemicellulose, cellulose, lignin, and ash) and selective compounds of hydrochar and corresponding process liquor produced by hydrothermal carbonization (HTC) of maize silage. Several HTC reaction times and temperatures were applied and NIR spectra of both HTC solids and liquids were obtained and correlated with concentration determined from van-Soest fiber analysis, IC, and UHPLC. Partial least-squares regression was applied to calculate models for the prediction of selective substances. The model developed with the spectra had the best performance in 3-7 factors with a correlation coefficient, which varied between 0.9275-0.9880 and 0.9364-0.9957 for compounds in solid and liquid, respectively. Calculated root mean square errors of prediction (RMSEP) were 0.42-5.06mg/kg. The preliminary results indicate that NIR, a widely applied technique, might be applied to determine chemical compounds in HTC solid and liquid. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Application of a Coaxial-Like Sensor for Impedance Spectroscopy Measurements of Selected Low-Conductivity Liquids

    Directory of Open Access Journals (Sweden)

    Wojciech Skierucha

    2013-09-01

    Full Text Available The paper presents a coaxial-like sensor operating in the 20 Hz–2 MHz frequency range used to determine the electrical properties of selected liquids of low electrical conductivity. Examined materials included low-concentrated aqueous solutions of potassium chloride, sodium chloride and trisodium citrate, which are common food additives. Impedance spectra of the measurement cell filled with particular liquids were obtained and analyzed using the electrical equivalent circuit approach. The values of physical quantities and parameters describing the equivalent circuit components, including a constant phase element, were calculated for each sample. The applied sensor was also calibrated for electrical conductivity measurements up to 8 mS/m. The constant phase element parameters differed among the studied solutions and concentrations. This may provide a basis for a detection method of small amounts of compounds, such as food additives in low-concentrated aqueous solutions. To demonstrate the potential of the presented method, samples of purchased mineral water and a flavored drink containing various additives were tested.

  1. Ionization-induced solvent migration in acetanilide-methanol clusters inferred from isomer-selective infrared spectroscopy.

    Science.gov (United States)

    Weiler, Martin; Nakamura, Takashi; Sekiya, Hiroshi; Dopfer, Otto; Miyazaki, Mitsuhiko; Fujii, Masaaki

    2012-12-07

    We present the resonance-enhanced multiphoton ionization, infrared-ultraviolet hole burning (IR-UV HB), and IR dip spectra of the trans-acetanilide-methanol (AA-MeOH) cluster in the S(0), S(1), and cationic ground state (D(0)) in a supersonic jet. The IR-UV HB spectra demonstrate the co-existence of two isomers in S(0,1), in which MeOH binds either to the NH or the CO site of the peptide linkage in AA, denoted as AA(NH)-MeOH and AA(CO)-MeOH. When AA(CO)-MeOH is selectively ionized, its IR spectrum in D(0) is the same as that measured for AA(+) (NH)-MeOH. Thus, photoionization of AA(CO)-MeOH induces migration of MeOH from the CO to the NH site with 100% yield. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Non-targeted detection of chemical contamination in carbonated soft drinks using NMR spectroscopy, variable selection and chemometrics

    Energy Technology Data Exchange (ETDEWEB)

    Charlton, Adrian J. [Department for Environment, Food and Rural Affairs, Central Science Laboratory, Sand Hutton, York YO41 1LZ (United Kingdom)], E-mail: adrian.charlton@csl.gov.uk; Robb, Paul; Donarski, James A.; Godward, John [Department for Environment, Food and Rural Affairs, Central Science Laboratory, Sand Hutton, York YO41 1LZ (United Kingdom)

    2008-06-23

    An efficient method for detecting malicious and accidental contamination of foods has been developed using a combined {sup 1}H nuclear magnetic resonance (NMR) and chemometrics approach. The method has been demonstrated using a commercially available carbonated soft drink, as being capable of identifying atypical products and to identify contaminant resonances. Soft-independent modelling of class analogy (SIMCA) was used to compare {sup 1}H NMR profiles of genuine products (obtained from the manufacturer) against retail products spiked in the laboratory with impurities. The benefits of using feature selection for extracting contaminant NMR frequencies were also assessed. Using example impurities (paraquat, p-cresol and glyphosate) NMR spectra were analysed using multivariate methods resulting in detection limits of approximately 0.075, 0.2, and 0.06 mM for p-cresol, paraquat and glyphosate, respectively. These detection limits are shown to be approximately 100-fold lower than the minimum lethal dose for paraquat. The methodology presented here is used to assess the composition of complex matrices for the presence of contaminating molecules without a priori knowledge of the nature of potential contaminants. The ability to detect if a sample does not fit into the expected profile without recourse to multiple targeted analyses is a valuable tool for incident detection and forensic applications.

  3. Classification and determination of alcohol in gasoline using NIR spectroscopy and the successive projections algorithm for variable selection

    Science.gov (United States)

    Ouyang, Aiguo; Liu, Jun

    2013-02-01

    A methodology for the classification and determination of alcohol (methanol/ethanol) in gasoline using near-infrared reflectance spectrometry and variable selection was proposed. Methanol gasoline and ethanol gasoline were prepared in the laboratory and gasoline (93#) was acquired from a local gas station. Partial least squares (PLS) multivariate calibrations were used to predict methanol/ethanol content. Principal component analysis was used for spectrum classification, obtaining a desirable classification accuracy. Using this strategy, it was feasible to classify alcohol gasoline rapidly. Concerning the multivariate calibration models, the results show that PLS, successive projections algorithm (SPA)-PLS and genetic algorithm (GA)-PLS models are good for predicting methanol and ethanol contents in gasoline; the respective root-mean-square errors of prediction were 0.216 (PLS), 0.163 (SPA-PLS) and 0.210 v/v% (GA-PLS) for methanol gasoline, corresponding to 0.348, 0.235 and 0.203 for ethanol gasoline. The results obtained in this investigation suggest that the proposed methodology is a promising alternative for the determination of alcohol content in gasoline.

  4. Impact of contralateral and ipsilateral reference tissue selection on self-referencing differential spectroscopy for breast cancer detection.

    Science.gov (United States)

    Leproux, Anaïs; Cerussi, Albert E; Tanamai, Wendy; Durkin, Amanda F; Compton, Montana; Gratton, Enrico; Tromberg, Bruce J

    2011-11-01

    We previously developed a self-referencing differential spectroscopic (SRDS) method to detect lesions by identifying a spectroscopic biomarker of breast cancer, i.e., the specific tumor component (STC). The SRDS method is based on the assumption of the exclusive presence of this spectroscopic biomaker in malignant disease. Although clinical results using this method have already been published, the dependence of the STC spectra on the choice of reference tissue has not yet been addressed. In this study, we explore the impact of the selection of the reference region size and location on the STC spectrum in 10 subjects with malignant breast tumors. Referencing from both contralateral and ipsilateral sides was performed. Regardless of the referencing, we are able to obtain consistent high contrast images of malignant lesions using the STC with less than 13% deviation. These results suggest that the STC measurements are independent of any type, location, and amount of normal breast tissue used for referencing. This confirms the initial assumption of the SRDS analysis, that there are specific tumor components in cancer that do not exist in normal tissue. This also indicates that bilateral measurements are not required for lesion identification using the STC method.

  5. In search of the mutual relationship between the structure, solid-state spectroscopy and molecular dynamics in selected calcium channel blockers.

    Science.gov (United States)

    Drużbicki, Kacper; Pajzderska, Aleksandra; Kiwilsza, Anna; Jenczyk, Jacek; Chudoba, Dorota; Jarek, Marcin; Mielcarek, Jadwiga; Wąsicki, Jan

    2016-03-31

    Three isostructural 1,4-dihydropyridines (DHPs), namely, nifedipine, nitrendipine and nimodipine were selected to characterize their structure, intermolecular interactions and molecular dynamics. The studied samples were analyzed using powder X-ray diffraction (XRD), neutron (INS) and infrared spectroscopy (FT-IR) as well as solid-state nuclear magnetic resonance (NMR), where each technique was supported by the state-of-the-art theoretical calculations for solid-state. By combining multiple experimental techniques with advanced theoretical calculations we were able to shed light on the mutual relation between the structure, stabilizing intermolecular interactions and their spectral response. For the first time, unambiguous computationally-supported assignment of the most prominent spectral features in DHPs is presented to give a valuable support for polymorph screening and drug control. Molecular motions were interpreted in details, revealing that a dynamic reservoir of each compound is dominated by intra-molecular reorientations of methyl groups and large-amplitude oscillations in terminal chains. Our study successfully validates the realm of applicability of first-principles solid-state calculations in search of the mutual relation between the structure and spectroscopy in this important class of drugs. Such approach gives a first necessary step to gather combined structure-dynamics data on functionalized DHPs, which are of importance to better understand crystallization and binding tendency. The NMR relaxation experiments reveal that nitro groups significantly hinder the reorientation of methyl rotors and provide the first evidence of low-temperature methyl-group tunneling in DHPs, an intriguing quantum-effect which is to be further explored. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. The XXL Survey. XII. Optical spectroscopy of X-ray-selected clusters and the frequency of AGN in superclusters

    Science.gov (United States)

    Koulouridis, E.; Poggianti, B.; Altieri, B.; Valtchanov, I.; Jaffé, Y.; Adami, C.; Elyiv, A.; Melnyk, O.; Fotopoulou, S.; Gastaldello, F.; Horellou, C.; Pierre, M.; Pacaud, F.; Plionis, M.; Sadibekova, T.; Surdej, J.

    2016-06-01

    Context. This article belongs to the first series of XXL publications. It presents multifibre spectroscopic observations of three 0.55 deg2 fields in the XXL Survey, which were selected on the basis of their high density of X-ray-detected clusters. The observations were obtained with the AutoFib2+WYFFOS (AF2) wide-field fibre spectrograph mounted on the 4.2 m William Herschel Telescope. Aims: The paper first describes the scientific rationale, the preparation, the data reduction, and the results of the observations, and then presents a study of active galactic nuclei (AGN) within three superclusters. Methods: To determine the redshift of galaxy clusters and AGN, we assign high priority to a) the brightest cluster galaxies (BCGs), b) the most probable cluster galaxy candidates, and c) the optical counterparts of X-ray point-like sources. We use the outcome of the observations to study the projected (2D) and the spatial (3D) overdensity of AGN in three superclusters. Results: We obtained redshifts for 455 galaxies in total, 56 of which are counterparts of X-ray point-like sources. We were able to determine the redshift of the merging supercluster XLSSC-e, which consists of six individual clusters at z ~ 0.43, and we confirmed the redshift of supercluster XLSSC-d at z ~ 0.3. More importantly, we discovered a new supercluster, XLSSC-f, that comprises three galaxy clusters also at z ~ 0.3. We find a significant 2D overdensity of X-ray point-like sources only around the supercluster XLSSC-f. This result is also supported by the spatial (3D) analysis of XLSSC-f, where we find four AGN with compatible spectroscopic redshifts and possibly one more with compatible photometric redshift. In addition, we find two AGN (3D analysis) at the redshift of XLSSC-e, but no AGN in XLSSC-d. Comparing these findings with the optical galaxy overdensity we conclude that the total number of AGN in the area of the three superclusters significantly exceeds the field expectations. All of the

  7. Direct determination of Ti content in sunscreens with laser-induced breakdown spectroscopy: Line selection method for high TiO{sub 2} nanoparticle concentration

    Energy Technology Data Exchange (ETDEWEB)

    Menneveux, Jérôme; Wang, Fang; Lu, Shan; Bai, Xueshi; Motto-Ros, Vincent [Institut Lumière Matière, UMR5306 Université Lyon 1-CNRS, Université de Lyon, 69622 Villeurbanne Cedex (France); Gilon, Nicole [Institut des Sciences Analytiques, UMR5280 Université Lyon 1-CNRS, Université de Lyon, 69622 Villeurbanne Cedex (France); Chen, Yanping [Department of Physics and Astrophysics, Shanghai Jiao Tong University, Shanghai 200240 (China); Yu, Jin, E-mail: jin.yu@univ-lyon1.fr [Institut Lumière Matière, UMR5306 Université Lyon 1-CNRS, Université de Lyon, 69622 Villeurbanne Cedex (France); Department of Physics and Astrophysics, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2015-07-01

    Sunscreen represents a large variety of creams which, in the analytical point of view, exhibit a similar matrix. Such matrix corresponds to a semi-solid emulsion of mixture of oil and water. The formulation of a cream can include metal and nonmetal elements in different contents in order to realize specific pharmaceutical or cosmetic functions designed for the product. The complex matrix of these materials makes their analysis challenging for classical elemental analytical techniques with specific and complicated sample pretreatment procedures needed for reliable quantification. In this work we demonstrate and assess direct determination, without any pretreatment, of elemental content, especially for metallic element such as titanium, in a sunscreen using laser-induced breakdown spectroscopy (LIBS). The used configuration corresponds to that of indirect ablation of a thin film of cream applied on the surface of a pure aluminum target. We especially focused, in this work, on the case of high concentration of TiO{sub 2} nanoparticle in cream. Such choice was justified first by the fact that such concentration level is usually found in commercial sunscreens. On the other hand, titanium presents a large number of lines, neutral as well as singly ionized, in the spectral range from the near UV to the near IR. It provides therefore an ideal case to study line selection method to manage the effect of self-absorption, which becomes unavoidable at high concentration level, and to optimize measurement precision. Through such study, we try to deduce a quantifiable and generalizable line selection method for high performance LIBS measurements. More specifically, calibration curves were first established using 6 laboratory-prepared samples. The quadratic term of the curves was then studied as a function of the intensity of the used lines and their type (neutral or ion, resonant or non-resonant). The prediction performance of the lines was assessed with 2 validation samples with

  8. Calibration sets selection strategy for the construction of robust PLS models for prediction of biodiesel/diesel blends physico-chemical properties using NIR spectroscopy

    Science.gov (United States)

    Palou, Anna; Miró, Aira; Blanco, Marcelo; Larraz, Rafael; Gómez, José Francisco; Martínez, Teresa; González, Josep Maria; Alcalà, Manel

    2017-06-01

    Even when the feasibility of using near infrared (NIR) spectroscopy combined with partial least squares (PLS) regression for prediction of physico-chemical properties of biodiesel/diesel blends has been widely demonstrated, inclusion in the calibration sets of the whole variability of diesel samples from diverse production origins still remains as an important challenge when constructing the models. This work presents a useful strategy for the systematic selection of calibration sets of samples of biodiesel/diesel blends from diverse origins, based on a binary code, principal components analysis (PCA) and the Kennard-Stones algorithm. Results show that using this methodology the models can keep their robustness over time. PLS calculations have been done using a specialized chemometric software as well as the software of the NIR instrument installed in plant, and both produced RMSEP under reproducibility values of the reference methods. The models have been proved for on-line simultaneous determination of seven properties: density, cetane index, fatty acid methyl esters (FAME) content, cloud point, boiling point at 95% of recovery, flash point and sulphur.

  9. Femtosecond spectroscopy of the primary charge separation in reaction centers of Chloroflexus aurantiacus with selective excitation in the QY and Soret bands.

    Science.gov (United States)

    Xin, Yueyong; Lin, Su; Blankenship, Robert E

    2007-09-27

    The primary charge separation and electron-transfer processes of photosynthesis occur in the reaction center (RC). Isolated RCs of the green filamentous anoxygenic phototrophic bacterium Chloroflexus aurantiacus were studied at room temperature by using femtosecond transient absorption spectroscopy with selective excitation. Upon excitation in the Q(Y) absorbance band of the bacteriochlorophyll (BChl) dimer (P) at 865 nm, a 7.0 +/- 0.5 ps kinetic component was observed in the 538 nm region (Q(X) band of the bacteriopheophytin (BPheo)), 750 nm region (Q(Y) band of the BPheo), and 920 nm region (stimulated emission of the excited-state of P), indicating that this lifetime represents electron transfer from P to BPheo. The same time constant was also observed upon 740 nm or 800 nm excitation. A longer lifetime (300 +/- 30 ps), which was assigned to the time of reduction of the primary quinone, Q(A), was also observed. The transient absorption spectra and kinetics all indicate that only one electron-transfer branch is involved in primary charge separation under these excitation conditions. However, the transient absorption changes upon excitation in the Soret band at 390 nm reveal a more complex set of energy and electron-transfer processes. By comparison to studies on the RCs of the purple bacterium Rhodobacter sphaeroides, we discuss the possible mechanism of electron-transfer pathway dependence on excitation energy and propose a model of the Cf. aurantiacus RC that better explains the observed results.

  10. Selective excitation enables assignment of proton resonances and {sup 1}H-{sup 1}H distance measurement in ultrafast magic angle spinning solid state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy, E-mail: ramamoor@umich.edu [Biophysics and Department of Chemistry, The University of Michigan, Ann Arbor, Michigan 48109-1055 (United States)

    2015-07-21

    Remarkable developments in ultrafast magic angle spinning (MAS) solid-state NMR spectroscopy enabled proton-based high-resolution multidimensional experiments on solids. To fully utilize the benefits rendered by proton-based ultrafast MAS experiments, assignment of {sup 1}H resonances becomes absolutely necessary. Herein, we propose an approach to identify different proton peaks by using dipolar-coupled heteronuclei such as {sup 13}C or {sup 15}N. In this method, after the initial preparation of proton magnetization and cross-polarization to {sup 13}C nuclei, transverse magnetization of desired {sup 13}C nuclei is selectively prepared by using DANTE (Delays Alternating with Nutations for Tailored Excitation) sequence and then, it is transferred to bonded protons with a short-contact-time cross polarization. Our experimental results demonstrate that protons bonded to specific {sup 13}C atoms can be identified and overlapping proton peaks can also be assigned. In contrast to the regular 2D HETCOR experiment, only a few 1D experiments are required for the complete assignment of peaks in the proton spectrum. Furthermore, the finite-pulse radio frequency driven recoupling sequence could be incorporated right after the selection of specific proton signals to monitor the intensity buildup for other proton signals. This enables the extraction of {sup 1}H-{sup 1}H distances between different pairs of protons. Therefore, we believe that the proposed method will greatly aid in fast assignment of peaks in proton spectra and will be useful in the development of proton-based multi-dimensional solid-state NMR experiments to study atomic-level resolution structure and dynamics of solids.

  11. The Effect of Selective Transcranial Magnetic Stimulation with Functional Near-Infrared Spectroscopy and Intensive Speech Therapy on Individuals with Post-Stroke Aphasia.

    Science.gov (United States)

    Hara, Takatoshi; Abo, Masahiro; Kakita, Kiyohito; Mori, Yuko; Yoshida, Makoto; Sasaki, Nobuyuki

    2017-01-01

    To examine the efficacy of selective repetitive transcranial magnetic stimulation (rTMS) therapy guided by functional near-infrared spectroscopy (fNIRS) combined with intensive speech therapy (iST) on post-stroke patients with aphasia. Eight right-handed patients with aphasia in the chronic stage after stroke were grouped into left and right hemisphere-activated for a language task based on pre-intervention fNIRS. Those with left hemisphere activation received 1-Hz TMS to the right inferior frontal gyrus (RtIFG; low-frequency rTMS [LFS] group), and those with right hemisphere activation received 10-Hz TMS to the RtIFG (high-frequency rTMS [HFS] group). The patients underwent an 11-day program of rTMS and iST. Both groups showed a significant improvement in language function as measured by Standard Language Test of Aphasia (SLTA) total score at post-intervention relative to pre-intervention. Furthermore, the pre-to-post SLTA change scores were not statistically different between the groups. Comparison of pre- and post-intervention fNIRS revealed a resolution of the imbalance of interhemispheric inhibition in the LFS group and activation of the target hemisphere in the HFS group. The administration of fNIRS-guided selective rTMS therapy and iST to post-stroke patients with aphasia induced a significant improvement in language function, with both groups demonstrating a similar degree of improvement. © 2017 S. Karger AG, Basel.

  12. Simultaneous Counter-Ion Co-Deposition a Technique Enabling Matrix Isolation Spectroscopy Studies Using Low-Energy Beams of Mass-Selected Ions

    Science.gov (United States)

    Ludwig, Ryan M.; Moore, David T.

    2014-06-01

    Matrix isolation spectroscopy was first developed in Pimentel's group during the 1950's to facilitate spectroscopic studies of transient species. Cryogenic matrices of condensed rare gases provide an inert chemical environment with facile energy dissipation and are transparent at all wavelengths longer than vacuum UV, making them ideal for studying labile and reactive species such as radicals, weakly bound complexes, and ions. Since frozen rare gases are poor electrolytes, studies of ions require near-equal populations of anions and cations in order to stabilize the number densities required for spectroscopic experiments. Many techniques for generation of ions for using in matrix isolation studies satisfy this criterion intrinsically, however when ion beams generated in external sources are deposited, the counter-ions typically arise via secondary processes that are at best loosely controlled. It has long been recognized that it would be desirable to stabilize deposition of mass-selected ions generated in an external source using simultaneous co-deposition of a beam of counter-ions, however previous attempts to achieve this have been reported as unsuccessful. The Moore group at Lehigh has demonstrated successful experiments of this type, using mass-selected anions generated from a metal cluster source, co-deposited with a balanced current of cations generated in a separate electron ionization source. This talk will focus on the details of the technique, and present some results from proof-of-concept studies on anionic copper carbonyl complexes formed in argon matrices following co-deposition of Cu- with Ar+ or Kr+. Funding support from NSF CAREER Award CHE-0955637 is gratefully acknowledged. Whittle et al., J. Chem. Phys. 22, p.1943 (1954); Becker et al., J. Chem. Phys. 25, p.224 (1956). Godbout et al., J. Chem. Phys. 96, p.2892 (1996). Sabo et al., Appl. Spectrosc. 45, p. 535 (1991).

  13. Probing the excited state dynamics of a new family of Cu(I)-complexes with an enhanced light absorption capacity: excitation-wavelength dependent population of states through branching.

    Science.gov (United States)

    Papanikolaou, Panagiotis A; Tkachenko, Nikolai V

    2013-08-21

    The ultrafast dynamics of six homoleptic Cu(I)-complexes and their respective ligands was examined through time-resolved electronic absorption spectroscopy in the subpicosecond time domain, in a variety of solvents, and at different excitation wavelengths. Results indicate that after excitation of the complexes in the blue part of the spectrum, the initially formed intraligand (IL) singlet excited state decays via two pathways yielding simultaneously both the lower-lying MLCT excited state and the ligand locally excited triplet state. The latter is also observed in the case of the free ligands and relaxes back to the ground state in a timescale of 40 ps. Excitation in the red part results in the formation of the MLCT excited state of the complexes which decays to the ground state through the same intraligand triplet excited state. The solvent viscosity does not affect the overall relaxation kinetics. The short time constant observed for the intersystem crossing of the MLCT singlet excited state is discussed in terms of the contribution of the d-orbitals of copper to the wavefunction of these states.

  14. Selected techniques in radioecology: Model development and comparison for internal dosimetry of rainbow trout (Oncorhynchus mykiss) and feasibiltiy assessment of reflectance spectroscopy use as a tool in phytoremediation

    Science.gov (United States)

    Martinez, Nicole

    Factors (DCFs) for whole body as well as selected organs of O. mykiss were computed using Monte Carlo modeling, and combined with the empirical models for predicting activity concentration, to estimate dose rates and ultimately determine cumulative radiation dose (microGy) to selected organs after several half-lives of either 131I or 99Mo. The different computational models provided similar results, especially for organs that were both the source and target of radiation (less than 30% difference between estimated doses). Part 2 considers the use of reflectance spectroscopy as a remediation tool through its potential to determine plant stress from metal contaminants. The studies in Part 2 further investigate the potential use of reflectance spectroscopy as a method for assessing metal stress in plants. In the first study, Arabidopsis thaliana plants were treated twice weekly in a laboratory setting with varying levels (0 mM, 0.5 mM, or 5 mM) of cesium chloride (CsCl) solution, and reflectance spectra were collected every week for three weeks using an ASD FieldSpec Pro spectroradiometer with both a contact probe and a field of view probe at 36.8 and 66.7 cm above the plant. As metal stress is known to mimic drought stress, plants were harvested each week after spectra collection for determination of relative water content and chlorophyll content. A visual assessment of the plants was also conducted using point observations on a uniform grid of 81 points. Two-way ANOVAs were performed on selected vegetation indices (VI) to determine the significance of the effects of treatment level and length of treatment. Linear regression was used to relate the most appropriate vegetation indices to the aforementioned endpoints and to compare results provided by the three different spectra collection techniques. One-way ANOVAs were performed on selected VI at each time point to determine which, if any, indices offered a significant prediction of the overall extent of Cs toxicity. Of the

  15. Direct determination of Ti content in sunscreens with laser-induced breakdown spectroscopy: Line selection method for high TiO2 nanoparticle concentration

    Science.gov (United States)

    Menneveux, Jérôme; Wang, Fang; Lu, Shan; Bai, Xueshi; Motto-Ros, Vincent; Gilon, Nicole; Chen, Yanping; Yu, Jin

    2015-07-01

    Sunscreen represents a large variety of creams which, in the analytical point of view, exhibit a similar matrix. Such matrix corresponds to a semi-solid emulsion of mixture of oil and water. The formulation of a cream can include metal and nonmetal elements in different contents in order to realize specific pharmaceutical or cosmetic functions designed for the product. The complex matrix of these materials makes their analysis challenging for classical elemental analytical techniques with specific and complicated sample pretreatment procedures needed for reliable quantification. In this work we demonstrate and assess direct determination, without any pretreatment, of elemental content, especially for metallic element such as titanium, in a sunscreen using laser-induced breakdown spectroscopy (LIBS). The used configuration corresponds to that of indirect ablation of a thin film of cream applied on the surface of a pure aluminum target. We especially focused, in this work, on the case of high concentration of TiO2 nanoparticle in cream. Such choice was justified first by the fact that such concentration level is usually found in commercial sunscreens. On the other hand, titanium presents a large number of lines, neutral as well as singly ionized, in the spectral range from the near UV to the near IR. It provides therefore an ideal case to study line selection method to manage the effect of self-absorption, which becomes unavoidable at high concentration level, and to optimize measurement precision. Through such study, we try to deduce a quantifiable and generalizable line selection method for high performance LIBS measurements. More specifically, calibration curves were first established using 6 laboratory-prepared samples. The quadratic term of the curves was then studied as a function of the intensity of the used lines and their type (neutral or ion, resonant or non-resonant). The prediction performance of the lines was assessed with 2 validation samples with

  16. Terahertz spectroscopy

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd

    2009-01-01

    In this presentation I will review methods for spectroscopy in the THz range, with special emphasis on the practical implementation of the technique known ad THz time-domain spectroscopy (THz-TDS). THz-TDS has revived the old field of far-infrared spectroscopy, and enabled a wealth of new activit...

  17. Combining selective sequential extractions, X-Ray Absorption Spectroscopy, and X-Ray Powder Diffraction for Cu (II speciation in soil and mineral phases

    Directory of Open Access Journals (Sweden)

    Tatiana Minkina

    2017-04-01

    Full Text Available Interaction of Cu (II ions with the matrix of soil and mineral phases of layered silicates was assessed by the Miller method of selective sequential fractionation and a set of synchrotron X-ray methods, including X-ray powder diffraction (XRD and X-ray absorption spectroscopy (XANES. It was shown that the input of Cu into Calcic Chernozem in the form of monoxide (CuO and salt (Cu(NO32 affected the transformation of Cu compounds and their affinity for metal-bearing phases. It was found that the contamination of soil with a soluble Cu(II salt increased the bioavailability of the metal and the role of organic matter and Fe oxides in the fixation and retention of Cu. During the incubation of soil with Cu monoxide, the content of the metal in the residual fractions increased, which was related to the possible entry of Cu in the form of isomorphic impurities into silicates, as well as to the incomplete dissolution of exogenic compounds at the high level of their input into the soil. A mechanism for the structural transformation of minerals was revealed, which showed that ion exchange processes result in the sorption of Cu (II ions from the saturated solution by active sites on the internal surface of the lattice of dioctahedral aluminosilicates. Surface hydroxyls at the octahedral aluminum atom play the main role. X-ray diagnostics revealed that excess Cu(II ions are removed from the system due to the formation and precipitation of coarsely crystalline Cu(NO3(OH3.

  18. Determination of fat content in chicken hamburgers using NIR spectroscopy and the Successive Projections Algorithm for interval selection in PLS regression (iSPA-PLS)

    Science.gov (United States)

    Krepper, Gabriela; Romeo, Florencia; Fernandes, David Douglas de Sousa; Diniz, Paulo Henrique Gonçalves Dias; de Araújo, Mário César Ugulino; Di Nezio, María Susana; Pistonesi, Marcelo Fabián; Centurión, María Eugenia

    2018-01-01

    Determining fat content in hamburgers is very important to minimize or control the negative effects of fat on human health, effects such as cardiovascular diseases and obesity, which are caused by the high consumption of saturated fatty acids and cholesterol. This study proposed an alternative analytical method based on Near Infrared Spectroscopy (NIR) and Successive Projections Algorithm for interval selection in Partial Least Squares regression (iSPA-PLS) for fat content determination in commercial chicken hamburgers. For this, 70 hamburger samples with a fat content ranging from 14.27 to 32.12 mg kg- 1 were prepared based on the upper limit recommended by the Argentinean Food Codex, which is 20% (w w- 1). NIR spectra were then recorded and then preprocessed by applying different approaches: base line correction, SNV, MSC, and Savitzky-Golay smoothing. For comparison, full-spectrum PLS and the Interval PLS are also used. The best performance for the prediction set was obtained for the first derivative Savitzky-Golay smoothing with a second-order polynomial and window size of 19 points, achieving a coefficient of correlation of 0.94, RMSEP of 1.59 mg kg- 1, REP of 7.69% and RPD of 3.02. The proposed methodology represents an excellent alternative to the conventional Soxhlet extraction method, since waste generation is avoided, yet without the use of either chemical reagents or solvents, which follows the primary principles of Green Chemistry. The new method was successfully applied to chicken hamburger analysis, and the results agreed with those with reference values at a 95% confidence level, making it very attractive for routine analysis.

  19. Nonlinear Correlation Spectroscopy (NLCS)

    OpenAIRE

    Geissbuehler, Matthias; Bonacina, Luigi; Shcheslavskiy, Vladislav; Bocchio, Noelia L.; Geissbuehler, Stefan; Leutenegger, Marcel; Maerki, Iwan; Wolf, Jean-Pierre; Lasser, Theo

    2012-01-01

    We present a novel concept for optical spectroscopy called nonlinear correlation spectroscopy (NLCS). NLCS analyses coherent field fluctuations of the second and third harmonic light generated by diffusing nanoparticles. Particles based on noncentrosymmetric nonlinear materials such as KNbO(3) show a strong second as well as third harmonic response. The method and the theory are introduced and experimental NLCS results in fetal calf serum are presented showing the promising selectivity of thi...

  20. Selective transfer of Li-Al-rich phyllosilicate to metamorphic veins (Western Alps): Laser Induced Breakdown Spectroscopy (LIBS) compositional profiles and microstructural characterization

    Science.gov (United States)

    Verlaguet, A.; Brunet, F.; Goffé, B.; Menut, D.; Findling, N.; Poinssot, C.; Huet, B.

    2016-11-01

    In convergent settings, fluid-rock interactions generally result in quartz and calcite preferential transfer to metamorphic veins in classical metamarls, while phyllosilicates tend to remain in the host-rock. However, the mechanisms responsible for such a selective mass transfer are poorly discussed in the literature. Here, we study Alpine metabauxites in which phyllosilicates (Li-Al-rich chlorite called cookeite, followed by pyrophyllite) were preferentially transferred to veins at blueschist peak P-T conditions, by a dissolution-diffusion-precipitation process without any fluid infiltration or associated reaction. Cookeite fibrous en-echelon veins formed by extensional shear, and part of them evolved towards thicker fluid-filled veins with euhedral cookeite crystallization. We performed chemical profiles across host-rocks between successive cookeite veins, using Laser Induced Breakdown Spectroscopy (LIBS), associated to a microstructural study. Flat LIBS Li profiles show that about half of the initial cookeite remains homogeneously distributed in host-rocks, which suggests a minimum diffusion distance of 2-4 cm for Li. The availability of an aqueous fluid during most of the metamorphic cycle is demonstrated here. A simple 1D reaction-diffusion model, assuming Li diffusion through a connected fluid-filled porosity network, is able to account for the observed lithium distribution assuming Li diffusion coefficients consistent with literature values in fluid-bearing systems. Chemical potential gradients that drove phyllosilicate transfer to veins can be either interfacial energy driven (i.e., Ostwald ripening), the anhedral phyllosilicate microsheets maintaining high supersaturation levels in the small host-rock pores compared to veins, or stress-induced: phyllosilicates present the highest solubility variations with pressure in the Vanoise bauxites (contrary to quartz-bearing rocks), which may account for their unusual selective transfer to veins. Therefore, mineral

  1. Resonant coupling in the Van der Waals interaction between an excited alkali atom and a dielectric surface: an experimental study via stepwise selective reflection spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Failache, H.; Saltiel, S.; Fichet, M.; Bloch, D.; Ducloy, M. [Paris-13 Univ., Lab. de Physique des Lasers, UMR 7538 du CNRS, 93 - Villetaneuse (France)

    2003-05-01

    We present a detailed experimental study of the evaluation of the van der Waals (vW) atom-surface interaction for high-lying excited states of alkali-metal atoms (Cs and Rb), notably R-hen they couple resonantly with a surface-polariton mode of the neighbouring dielectric surface. This report extends our initial observation [Phys. Rev. Lett. 83, 5467 (1999)) of a vW repulsion between Cs(6D{sub 3/2}) and a sapphire surface. The experiment is based upon FM selective reflection spectroscopy, on a transition reaching a high-lying state from a resonance level, that has been thermally pumped by an initial one-photon step. Along with a strong vW repulsion fitted with a blue line-shift, -160 {+-} 25 kHz {mu}m{sup 3} for Cs(6D{sub 3/2}) in front of a sapphire surface (with a perpendicular c-axis), we demonstrate a weaker vW repulsion (-32{+-}5 kHz {mu}m{sup 3}) for Cs(6D{sub 3/2}) in front of a YAG surface, as due to a similar resonant coupling at 12 {mu}m between a virtual atomic emission (6D{sub 3/2}-7P{sub 1/2}) and the surface polariton modes. A resonant behaviour of Rb(6D{sub 5/2}) in front of a sapphire surface exists also because of analogous decay channels in the 12 {mu}m range. Finally. one demonstrates that fused silica. nonresonant for a virtual transition in the 12 {mu}m range and hence weakly attracting for Cs(6D{sub 3/2}), exhibits a resonant behaviour for Cs(9S{sub 1/2}) as due to its surface polariton resonance in the 8-9 {mu}m range. The limiting factors that affect both the accuracy of the theoretical prediction, and that of the fitting method applied to the experimental data. are discussed in the conclusion. (authors)

  2. No evidence that embryo selection by near-infrared spectroscopy in addition to morphology is able to improve live birth rates: results from an individual patient data meta-analysis.

    Science.gov (United States)

    Vergouw, C G; Heymans, M W; Hardarson, T; Sfontouris, I A; Economou, K A; Ahlström, A; Rogberg, L; Lainas, T G; Sakkas, D; Kieslinger, D C; Kostelijk, E H; Hompes, P G A; Schats, R; Lambalk, C B

    2014-03-01

    What is the value of embryo selection by metabolomic profiling of culture medium with near-infrared (NIR) spectroscopy as an adjunct to morphology, compared with embryo selection by morphology alone, based on an individual patient data meta-analysis (IPD MA)? The IPD MA indicates that the live birth rate after embryo selection by NIR spectroscopy and morphology is not significantly different compared with the live birth rate after embryo selection by morphology alone. Retrospective proof of principle studies has consistently shown that high NIR viability scores are correlated with a high implantation potential of embryos. However, randomized controlled trials (RCTs) have generally shown no benefit of the NIR technology over embryo morphology, although there have been some conflicting results between pregnancy outcomes on different days of embryo transfer. This IPD MA included all existing RCTs (n = 4) in which embryo selection by morphology was compared with embryo selection by morphology and the use of NIR spectroscopy of spent embryo culture medium by the Viametrics-E(™). Searches of PubMed, the Cochrane Library and the WHO International Clinical Trials Registry were conducted and the sole manufacturer of the Viametrics-E(™) was consulted to identify clinics where an RCT comparing embryo selection by morphology to embryo selection by morphology and the use of the Viametrics-E(™) (NIR viability score) was performed. A total of 20 citations were potentially eligible for inclusion, two of which met the inclusion criteria. The manufacturer of the Viametrics-E(™) provided two additional clinical sites of use. In total, four RCTs were identified as eligible for inclusion. The IPD MA was based on a fixed effect model due to the lack of heterogeneity between included studies. Differences between study groups were tested and reported using logistic regression models adjusted for significant confounders. The pooled analysis of the primary outcome led to a total

  3. 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…

  4. Electronic spectroscopies

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Schoonheydt, R.A.

    2000-01-01

    Diffuse reflectance spectroscopy (DRS) in the ultraviolet, visible and near-infrared region is a versatile spectroscopic technique, as both d-d and charge transfer transitions of supported TMI can be probed. One of the advantages of electronic spectroscopy is that the obtained information is

  5. Wavelength-Dependent Extinction and Grain Sizes in "Dippers"

    Science.gov (United States)

    Sitko, Michael; Russell, Ray W.; Long, Zachary; Bayyari, Ammar; Assani, Korash; Grady, Carol; Lisse, Carey Michael; Marengo, Massimo; Wisniewski, John

    2018-01-01

    We have examined inter-night variability of K2-discovered "Dippers" that are not close to being viewed edge-on (as determined from previously-reported ALMA images) using the SpeX spectrograph on NASA's Infrared Telescope facility (IRTF). The three objects observed were EPIC 203850058, EPIC 205151387, and EPIC 204638512 ( = 2MASS J16042165-2130284). Using the ratio of the fluxes from 0.7-2.4 microns between two successive nights, we find that in at least two cases, the extinction increased toward shorter wavelengths. In the case of EPIC 204638512, we find that the properties of the dust differ from that seen in the diffuse interstellar medium and denser molecular clouds. However, the grain properties needed to explain the extinction does resemble those used to model the disks of many young stellar objects. The best fit to the data on EPIC 204638512 includes grains at least 500 microns in size, but lacks grains smaller than 0.25 microns. Since EPIC 204638512 is seen nearly face-on, it is possible the grains are entrained in an accretion flow that preferentially destroys the smallest grains. However, we have no indication of significant gas accretion onto the star in the form of emission lines observed in young low-mass stars. But the He I line at 1.083 microns was seen to change from night to night, and showed a P Cygni profile on one night, suggesting the gas might be outflowing from regions near the star.

  6. Selection of Annonaceae Species for the Control of Spodoptera frugiperda (Lepidoptera: Noctuidae) and Metabolic Profiling of Duguetia lanceolata Using Nuclear Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    Alves, D S; Machado, A R T; Campos, V A C; Oliveira, D F; Carvalho, G A

    2016-04-01

    This study was performed to investigate the activity of 19 dichloromethane-soluble fractions obtained from the methanolic extracts of 10 Annonaceae species against the fall armyworm, Spodoptera frugiperda (J. E. Smith). The stem bark of Duguetia lanceolata A. St.-Hil. showed the highest insecticidal activity, with a median lethal time (LT50) of 61.4 h and a median lethal concentration (LC50) of 946.5 µg/ml of diet. The dichloromethane-soluble fractions from six D. lanceolata specimens were subjected to evaluation of their activities against S. frugiperda and metabolomic analysis using hydrogen (1H) nuclear magnetic resonance (NMR) spectroscopy. Although all of the samples affected S. frugiperda mortality, their insecticidal activities varied according to the sample used in the experiments. Using partial least squares regression of the results, the D. lanceolata specimens were grouped according to their metabolite profile and insecticidal activity. A detailed analysis via uni- and bidimensional NMR spectroscopy showed that the peaks in the 1H NMR spectra associated with increased insecticidal activity could be attributed to 2,4,5-trimethoxystyrene, which suggests that this substance is involved in the insecticidal activity of the stem bark fraction of D. lanceolata.

  7. Nuclear spectroscopy

    CERN Document Server

    Ajzenberg-Selove, Fay

    1960-01-01

    Nuclear Spectroscopy, Part A deals with the experimental and theoretical techniques involved in nuclear spectroscopy.This book discusses the interactions of charged particles with matter, gaseous ionization detectors, and particular mass attenuation coefficients. The magnetic gamma-ray spectrometers for photo or internal-conversion electrons, general characteristics of cross-section variation with energy, and measurement of fast neutron spectra are also elaborated. This text likewise covers the elastic scattering of photons by nuclei and measurement of widths of gamma-radiating levels.This pub

  8. Assessment of real-time myocardial uptake and enzymatic conversion of hyperpolarized [1-¹³C]pyruvate in pigs using slice selective magnetic resonance spectroscopy

    DEFF Research Database (Denmark)

    Menichetti, Luca; Frijia, Francesca; Flori, Alessandra

    2012-01-01

    . We applied a numerical approach for spectral analysis and kinetic fitting (LSFIT/KIMOfit), making a comparison with a well-known jMRUI/AMARES analysis and γ-variate function, and we estimated the apparent conversion rate of hyperpolarized [1-¹³C]pyruvate into its downstream metabolites [1-¹³C......Hyperpolarization of ¹³C-labeled energy substrates enables the noninvasive detection and mapping of metabolic activity, in vivo, with magnetic resonance spectroscopy (MRS). Therefore, hyperpolarization and ¹³C MRS can potentially become a powerful tool to study the physiology of organs...... such as the heart, through the quantification of kinetic patterns under both normal and pathological conditions. In this study we assessed myocardial uptake and metabolism of hyperpolarized [1-¹³C]pyruvate in anesthetized pigs. Pyruvate metabolism was studied at baseline and during dobutamine-induced stimulation...

  9. PLASMA SPECTROSCOPY

    NARCIS (Netherlands)

    Jaspers, R. J. E.

    2010-01-01

    A brief introduction into the spectroscopy of fusion plasmas is presented. Basic principles of the emission of ionic, atomic and molecular radiation is explained and a survey of the effects, which lead to the population of the respective excited levels, is given. Line radiation, continuum radiation,

  10. Sensitive and molecular size-selective detection of proteins using a chip-based and heteroliganded gold nanoisland by localized surface plasmon resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Hong Surin

    2011-01-01

    Full Text Available Abstract A highly sensitive and molecular size-selective method for the detection of proteins using heteroliganded gold nanoislands and localized surface plasmon resonance (LSPR is described. Two different heteroligands with different chain lengths (3-mercaptopionicacid and decanethiol were used in fabricating nanoholes for the size-dependent separation of a protein in comparison with its aggregate. Their ratios on gold nanoisland were optimized for the sensitive detection of superoxide dismutase (SOD1. This protein has been implicated in the pathology of amyotrophic lateral sclerosis (ALS. Upon exposure of the optimized gold nanoisland to a solution of SOD1 and aggregates thereof, changes in the LSPR spectra were observed which are attributed to the size-selective and covalent chemical binding of SOD1 to the nanoholes. With a lower detection limit of 1.0 ng/ml, the method can be used to selectively detect SOD1 in the presence of aggregates at the molecular level.

  11. Fourier transform infra-red spectroscopy and flow cytometric assessment of the antibacterial mechanism of action of aqueous extract of garlic (Allium sativum) against selected probiotic Bifidobacterium strains.

    Science.gov (United States)

    Booyens, Jemma; Thantsha, Mapitsi Silvester

    2014-08-06

    It is generally reported that garlic (Allium sativum) harms pathogenic but not beneficial bacteria. Although numerous studies supporting the alleged garlic effects on pathogens are available, there are limited studies to prove this claim for beneficial bacteria. We have recently shown that garlic exhibits antibacterial activity against probiotic bifidobacteria. The aim of the current study was to elucidate the mechanism of action of garlic clove extract (GCE) on Bifidobacterium bifidum LMG 11041, B. longum LMG 13197 and B. lactis Bb12 using Fourier transform infrared (FT-IR) spectroscopy and flow cytometry. Cultures (1 × 108 CFU ml-1) were individually incubated for 6 h at 37°C in garlic clove extract containing allicin at a corresponding predetermined minimum bactericidal concentration for each strain. For FTIR, an aliquot of each culture was deposited on CaF2 slide and vacuum dried. The slides were immediately viewed using a Bruker Vertex 70 V FT-IR spectrometer equipped with a Hyperion microscope and data analyzed using OPUS software (version 6, Bruker). Spectra were smoothed with a Savitsky-Goly function algorithim, base-line corrected and normalized. Samples for flow cytometry were stained using the Live/Dead BacLight bacterial viability kit L7012. Data compensation and analysis was performed using a BD FACSAria and FlowJo (version 7.6.1). Fourier transform infrared spectroscopy showed changes in spectral features of lipids and fatty acids in cell membranes, proteins, polysaccharides and nucleic acids. Spectral data as per principle component analysis (PCA) revealed segregation of control and GCE-treated cells for all the tested bifidobacteria. Flow cytometry not only showed increase in numbers of membrane damaged and possibly lysed cells after GCE treatment, but also displayed diffuse light scatter patterns for GCE treated cells, which is evidence for changes to the size, granularity and molecular content of the cells. Garlic has multiple target sites in

  12. Spectral variable selection for partial least squares calibration applied to authentication and quantification of extra virgin olive oils using Fourier transform Raman spectroscopy.

    Science.gov (United States)

    Heise, H Michael; Damm, Uwe; Lampen, Peter; Davies, Antony N; McIntyre, Peter S

    2005-10-01

    The limits of quantitative multivariate assays for the analysis of extra virgin olive oil samples from various Greek sites adulterated by sunflower oil have been evaluated based on their Fourier transform (FT) Raman spectra. Different strategies for wavelength selection were tested for calculating optimal partial least squares (PLS) models. Compared to the full spectrum methods previously applied, the optimum standard error of prediction (SEP) for the sunflower oil concentrations in spiked olive oil samples could be significantly reduced. One efficient approach (PMMS, pair-wise minima and maxima selection) used a special variable selection strategy based on a pair-wise consideration of significant respective minima and maxima of PLS regression vectors, calculated for broad spectral intervals and a low number of PLS factors. PMMS provided robust calibration models with a small number of variables. On the other hand, the Tabu search strategy recently published (search process guided by restrictions leading to Tabu list) achieved lower SEP values but at the cost of extensive computing time when searching for a global minimum and less robust calibration models. Robustness was tested by using packages of ten and twenty randomly selected samples within cross-validation for calculating independent prediction values. The best SEP values for a one year's harvest with a total number of 66 Cretian samples were obtained by such spectral variable optimized PLS calibration models using leave-20-out cross-validation (values between 0.5 and 0.7% by weight). For the more complex population of olive oil samples from all over Greece (total number of 92 samples), results were between 0.7 and 0.9% by weight with a cross-validation sample package size of 20. Notably, the calibration method with Tabu variable selection has been shown to be a valid chemometric approach by which a single model can be applied with a low SEP of 1.4% for olive oil samples across three different harvest years.

  13. Site-selective spectroscopy in Sm{sup 3+}-doped sol-gel-derived nano-glass-ceramics containing SnO{sub 2} quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Yanes, A C; Castillo, J del [Departamento de Fisica Basica, Universidad de La Laguna, E-38206 La Laguna, Tenerife (Spain); Velazquez, J J; Mendez-Ramos, J; RodrIguez, V D [Departamento de Fisica Fund. y Experimental, Universidade La Laguna, E-38206 La Laguna, Tenerife (Spain)], E-mail: ayanesh@ull.es, E-mail: vrguez@ull.es

    2008-07-23

    Nano-glass-ceramics of composition 95SiO{sub 2}-5SnO{sub 2} doped with 0.4 Sm{sup 3+} (mol%) were synthesized by the thermal treatment of precursor sol-gel glasses. Structural and luminescence measurements were carried out. The precipitated SnO{sub 2} nanocrystals in the glass matrix constitute a wide bandgap quantum-dot system with size comparable to the bulk exciton Bohr radius. A site-selective excitation, by energy transfer from the semiconductor host, reveals that a fraction of the Sm{sup 3+} ions are incorporated in the SnO{sub 2} nanocrystals, whereas the rest remains in the silica glassy phase. An evolution in the Sm{sup 3+} emission spectra has been observed when the SnO{sub 2} nanocrystals are excited with different UV wavelengths, which has been ascribed to selective excitation of nanocrystal sets with predetermined size.

  14. Effective Strategy for Conformer-Selective Detection of Short-Lived Excited State Species: Application to the IR Spectroscopy of the N1H Keto Tautomer of Guanine.

    Science.gov (United States)

    Asami, Hiroya; Tokugawa, Munefumi; Masaki, Yoshiaki; Ishiuchi, Shun-Ichi; Gloaguen, Eric; Seio, Kohji; Saigusa, Hiroyuki; Fujii, Masaaki; Sekine, Mitsuo; Mons, Michel

    2016-04-14

    The ultrafast deactivation processes in the excited state of biomolecules, such as the most stable tautomers of guanine, forbid any state-of-the-art gas phase spectroscopic studies on these species with nanosecond lasers. This drawback can be overcome by grafting a chromophore having a long-lived excited state to the molecule of interest, allowing thus a mass-selective detection by nanosecond R2PI and therefore double resonance IR/UV conformer-selective spectroscopic studies. The principle is presently demonstrated on the keto form of a modified 9-methylguanine, for which the IR/UV double resonance spectrum in the C═O stretch region, reported for the first time, provides evidence for extensive vibrational couplings within the guanine moiety. Such a successful strategy opens up a route to mass-selective IR/UV spectroscopic investigations on molecules exhibiting natural chromophores having ultrashort-lived excited states, such as DNA bases, their complexes as well as peptides containing short-lived aromatic residues.

  15. Bidimensional spectroscopy of interacting galaxies

    Science.gov (United States)

    Chatzichristou, E. T.

    We have undertaken a program of studying the central few kpc regions of interacting/merger candidates, that were specifically chosen to have a range of nuclear activity, IR properties and strength of interaction. Here we present data obtained using the integral field spectrograph ARGUS, on the CFHT for few of these objects. Unlike slit spectroscopy, these data provide a direct two-dimensional picture of the wavelength-dependant emission and absorption line properties of these galaxies. The main conclusions are: (1) Mkn 789 is a recent merger product, undergoing a strong burst of star formation, while the older stellar component did not have yet the time to relax. It has no compact nuclear structure and its strong star formation powers a large scale outflow ("superwind"), which gives characteristic multiple profiles. Mkn 463 on the other hand, appears at an intermediate merging stage where at least one of its two visible nuclei had time to become activated, showing a Seyfert-like spectrum. The distinct kinematic feature here is a strongly blueshifted component that is interpreted in terms of bowshocks driven by a radio jet into the ambient gas. (2) UGC 3995 is the brightest member of a pair of interacting spirals, has a low-ionization, Seyfert-like spectrum. The velocity field is smooth, characteristic of a retrogradely rotating disk, but we find rotation of the kinematic axis with wavelength, that correspond to isophotal distortions and an obvious line profile substructure. It seems that this is a distinct kinematic feature in Seyfert-like nuclei independently of their interaction stage, indicating radial gas motions that might be related to the activation of the central engine. (3) Both mergers (Mkn 463, Mkn 789) have higher IR activity, as expressed by the LFIR excess and "warm" far-IR colours, among the objects in our sample. This seems to be independent of the nature of the central engine. On the other hand, the 25 microns characteristic excess emission of

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

    Science.gov (United States)

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

    2017-10-01

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

  17. Optimization of dispersive liquid-liquid microextraction for the selective determination of trace amounts of palladium by flame atomic absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kokya, Taher Ahmadzadeh [Department of Chemistry, Faculty of Science, University of Urmia, Urmia (Iran, Islamic Republic of); Farhadi, Khalil, E-mail: khalil.farhadi@yahoo.com [Department of Chemistry, Faculty of Science, University of Urmia, Urmia (Iran, Islamic Republic of)

    2009-09-30

    A new simple and reliable method for rapid and selective extraction and determination of the trace levels of Pd{sup 2+} ion was developed by dispersive liquid-liquid microextraction preconcentration and flame atomic absorption spectrometry detection. In the proposed approach, thioridazine HCl (TRH) was used as a Pd{sup 2+} ion selective complexing agent. The effective parameters on the extraction recovery were studied and optimized utilizing two decent optimization methods; factorial design and central composite design (CCD). Through factorial design the best efficiency of extraction acquired using ethanol and chloroform as dispersive and extraction solvents respectively. CCD optimization resulted in 1.50 mL of dispersive solvent; 0.15 mL of extraction solvent; 0.45 mg of TRH and 250 mg of potassium chloride salt per 5 mL of sample solution. Under the optimum conditions the calibration graph was linear over the range 100-2000 {mu}g L{sup -1}. The average relative standard deviation was 0.7% for five repeated determinations. The limit of detection was 90 {mu}g L{sup -1}. The average enrichment factor and recovery reached 45.7% and 74.2% respectively. The method was successfully applied to the determination of trace amounts of palladium in the real water samples.

  18. The use of a selective saturation pulse to suppress t1 noise in two-dimensional (1)H fast magic angle spinning solid-state NMR spectroscopy.

    Science.gov (United States)

    Robertson, Aiden J; Pandey, Manoj Kumar; Marsh, Andrew; Nishiyama, Yusuke; Brown, Steven P

    2015-11-01

    A selective saturation pulse at fast magic angle spinning (MAS) frequencies (60+kHz) suppresses t1 noise in the indirect dimension of two-dimensional (1)H MAS NMR spectra. The method is applied to a synthetic nucleoside with an intense methyl (1)H signal due to triisopropylsilyl (TIPS) protecting groups. Enhanced performance in terms of suppressing the methyl signal while minimising the loss of signal intensity of nearby resonances of interest relies on reducing spin diffusion--this is quantified by comparing two-dimensional (1)H NOESY-like spin diffusion spectra recorded at 30-70 kHz MAS. For a saturation pulse centred at the methyl resonance, the effect of changing the nutation frequency at different MAS frequencies as well as the effect of changing the pulse duration is investigated. By applying a pulse of duration 30 ms and nutation frequency 725 Hz at 70 kHz MAS, a good compromise of significant suppression of the methyl resonance combined with the signal intensity of resonances greater than 5 ppm away from the methyl resonance being largely unaffected is achieved. The effectiveness of using a selective saturation pulse is demonstrated for both homonuclear (1)H-(1)H double quantum (DQ)/single quantum (SQ) MAS and (14)N-(1)H heteronuclear multiple quantum coherence (HMQC) two-dimensional solid-state NMR experiments. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

  19. Laser spectroscopy

    CERN Document Server

    Demtröder, Wolfgang

    2008-01-01

    Keeping abreast of the latest techniques and applications, this new edition of the standard reference and graduate text on laser spectroscopy has been completely revised and expanded. While the general concept is unchanged, the new edition features a broad array of new material, e.g., frequency doubling in external cavities, reliable cw-parametric oscillators, tunable narrow-band UV sources, more sensitive detection techniques, tunable femtosecond and sub-femtosecond lasers (X-ray region and the attosecond range), control of atomic and molecular excitations, frequency combs able to synchronize independent femtosecond lasers, coherent matter waves, and still more applications in chemical analysis, medical diagnostics, and engineering.

  20. Firefly algorithm versus genetic algorithm as powerful variable selection tools and their effect on different multivariate calibration models in spectroscopy: A comparative study.

    Science.gov (United States)

    Attia, Khalid A M; Nassar, Mohammed W I; El-Zeiny, Mohamed B; Serag, Ahmed

    2017-01-05

    For the first time, a new variable selection method based on swarm intelligence namely firefly algorithm is coupled with three different multivariate calibration models namely, concentration residual augmented classical least squares, artificial neural network and support vector regression in UV spectral data. A comparative study between the firefly algorithm and the well-known genetic algorithm was developed. The discussion revealed the superiority of using this new powerful algorithm over the well-known genetic algorithm. Moreover, different statistical tests were performed and no significant differences were found between all the models regarding their predictabilities. This ensures that simpler and faster models were obtained without any deterioration of the quality of the calibration. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Selective One-Dimensional Total Correlation Spectroscopy Nuclear Magnetic Resonance Experiments for a Rapid Identification of Minor Components in the Lipid Fraction of Milk and Dairy Products: Toward Spin Chromatography?

    Science.gov (United States)

    Papaemmanouil, Christina; Tsiafoulis, Constantinos G; Alivertis, Dimitrios; Tzamaloukas, Ouranios; Miltiadou, Despoina; Tzakos, Andreas G; Gerothanassis, Ioannis P

    2015-06-10

    We report a rapid, direct, and unequivocal spin-chromatographic separation and identification of minor components in the lipid fraction of milk and common dairy products with the use of selective one-dimensional (1D) total correlation spectroscopy (TOCSY) nuclear magnetic resonance (NMR) experiments. The method allows for the complete backbone spin-coupling network to be elucidated even in strongly overlapped regions and in the presence of major components from 4 × 10(2) to 3 × 10(3) stronger NMR signal intensities. The proposed spin-chromatography method does not require any derivatization steps for the lipid fraction, is selective with excellent resolution, is sensitive with quantitation capability, and compares favorably to two-dimensional (2D) TOCSY and gas chromatography-mass spectrometry (GC-MS) methods of analysis. The results of the present study demonstrated that the 1D TOCSY NMR spin-chromatography method can become a procedure of primary interest in food analysis and generally in complex mixture analysis.

  2. Building and analyzing models from data by stirred tank experiments for investigation of matrix effects caused by inorganic matrices and selection of internal standards in Inductively Coupled Plasma-Atomic Emission Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Grotti, Marco [Dipartimento di Chimica e Chimica Industriale, Via Dodecaneso 31, 16146 Genova (Italy)], E-mail: grotti@chimica.unige.it; Paredes, Eduardo; Maestre, Salvador; Todoli, Jose Luis [Departamento de Quimica Analitica, Nutricion y Bromatologia, Universidad de Alicante, 03080, Alicante (Spain)

    2008-05-15

    Interfering effects caused by inorganic matrices (inorganic acids as well as easily ionized elements) in inductively coupled plasma-atomic emission spectroscopy have been modeled by regression analysis of experimental data obtained using the 'stirred tank method'. The main components of the experimental set-up were a magnetically-stirred container and two peristaltic pumps. In this way the matrix composition was gradually and automatically varied, while the analyte concentration remained unchanged throughout the experiment. An inductively coupled plasma spectrometer with multichannel detection based on coupled charge device was used to simultaneously measure the emission signal at several wavelengths when the matrix concentration was modified. Up to 50 different concentrations were evaluated in a period of time of 10 min. Both single interfering species (nitric, hydrochloric and sulphuric acids, sodium and calcium) and different mixtures (aqua regia, sulfonitric mixture, sodium-calcium mixture and sodium-nitric acid mixture) were investigated. The dependence of the emission signal on acid concentration was well-fitted by logarithmic models. Conversely, for the easily ionized elements, 3-order polynomial models were more suitable to describe the trends. Then, the coefficients of these models were used as 'signatures' of the matrix-related signal variations and analyzed by principal component analysis. Similarities and differences among the emission lines were highlighted and discussed, providing a new insight into the interference phenomena, mainly with regards to the combined effect of concomitants. The combination of the huge amount of data obtained by the stirred tank method in a short period of time and the speed of analysis of principal component analysis provided a judicious means for the selection of the optimal internal standard in inductively coupled plasma-atomic emission spectroscopy.

  3. Optical Spectroscopy

    DEFF Research Database (Denmark)

    Thyrhaug, Erling

    containing systems using simple instrumentation and well-known and understood theoretical concepts. Overall it is attempted to achieve this goal by presenting five research projects that I have been involved in during my Ph.D. studies which collectively demonstrate some of the many possibilities of gaining......The work presented in this thesis is broadly concerned with how complexation reactions and molecular motion can be characterized with the standard techniques in optical spectroscopy. The thesis aims to show a relatively broad range of methods for probing physico-chemical properties in fluorophore...... information about chemical equilibria, kinetics and molecular motion by monitoring changes in optical properties of the system. The five presented research projects are largely unrelated to each other both in aim and in what property is probed, however they are all connected in that they are fluorophore...

  4. Aerosol optical absorption measurements with photoacoustic spectroscopy

    Science.gov (United States)

    Liu, Kun; Wang, Lei; Liu, Qiang; Wang, Guishi; Tan, Tu; Zhang, Weijun; Chen, Weidong; Gao, Xiaoming

    2015-04-01

    Many parameters related to radiative forcing in climate research are known only with large uncertainties. And one of the largest uncertainties in global radiative forcing is the contribution from aerosols. Aerosols can scatter or absorb the electromagnetic radiation, thus may have negative or positive effects on the radiative forcing of the atmosphere, respectively [1]. And the magnitude of the effect is directly related to the quantity of light absorbed by aerosols [2,3]. Thus, sensitivity and precision measurement of aerosol optical absorption is crucial for climate research. Photoacoustic spectroscopy (PAS) is commonly recognized as one of the best candidates to measure the light absorption of aerosols [4]. A PAS based sensor for aerosol optical absorption measurement was developed. A 532 nm semiconductor laser with an effective power of 160 mW was used as a light source of the PAS sensor. The PAS sensor was calibrated by using known concentration NO2. The minimum detectable optical absorption coefficient (OAC) of aerosol was determined to be 1 Mm-1. 24 hours continues measurement of OAC of aerosol in the ambient air was carried out. And a novel three wavelength PAS aerosol OAC sensor is in development for analysis of aerosol wavelength-dependent absorption Angstrom coefficient. Reference [1] U. Lohmann and J. Feichter, Global indirect aerosol effects: a review, Atmos. Chem. Phys. 5, 715-737 (2005) [2] M. Z. Jacobson, Strong radiative heating due to the mixing state of black carbon in atmospheric aerosols, Nature 409, 695-697 (2001) [3] V. Ramanathan and G. Carmichae, Global and regional climate changes due to black carbon, nature geoscience 1, 221-227 (2008) [4] W.P Arnott, H. Moosmuller, C. F. Rogers, T. Jin, and R. Bruch, Photoacoustic spectrometer for measuring light absorption by aerosol: instrument description. Atmos. Environ. 33, 2845-2852 (1999).

  5. Amateur spectroscopy

    Science.gov (United States)

    Gavin, M. V.

    1998-06-01

    (The 1997 Presidential Address to the British Astronomical Association.) Auguste Comte is remembered for an unfortunate remark. In 1825 he said the chemical composition of stars would never be revealed. Within a decade or so the heart of the atom was being explored in remote stars through the science of spectroscopy. In simplistic terms one can regard the atom as a miniature solar system, but with the novel option that electrons (representing planets) having the ability to 'jump' from one orbit to another. In 'falling' to a lower orbit a photon of light of precise wavelength is released to travel outwards. When the electron 'jumps' to a higher orbit a photon of light is absorbed. This is taking place on a vast scale which we observe as lines in the spectrum - their position and prominence relates to the particular atomic element, temperature and pressure within the stellar atmosphere. It is beyond the scope of this Address to discuss the various processes that affect spectra, or to provide a mathematical explanation which can be found elsewhere. In any case the lack of a deep understanding does not preclude enjoyable or useful observations. Methods and results from amateurs conducting such observations are discussed in this paper.

  6. Optofluidic-tunable color filters and spectroscopy based on liquid-crystal microflows.

    Science.gov (United States)

    Cuennet, J G; Vasdekis, A E; Psaltis, D

    2013-07-21

    The integration of color filters with microfluidics has attracted substantial attention in recent years, for on-chip absorption, fluorescence, or Raman analysis. We describe such tunable filters based on the micro-flow of liquid crystals. The filter operation is based on the wavelength-dependent liquid crystal birefringence that can be tuned by modifying the flow velocity field in the microchannel. The latter is possible both temporally and spatially by varying the inlet pressure and the channel geometry, respectively. We explored the use of these optofluidic filters for on-chip absorption spectroscopy in poly(dimethylsiloxane) microfluidic systems; by integrating the distance-dependent color filter with a dye-filled micro-channel, the absorption spectrum of a dye could be measured. Liquid crystal microflows substantially simplify the optofluidic integration, actuation and tuning of color filters for lab-on-a-chip spectroscopic applications.

  7. orbital selective correlation reduce in collapse tetragonal phase of CaFe2(As0.935P0.065)2 and electronic structure reconstruction studied by angel resolved photoemission spectroscopy

    Science.gov (United States)

    Zeng, Lingkun

    We performed an angle-resolved photoemission spectroscopy (ARPES) study of the CaFe2(As0.935P0.065)2 in the collapse tetragonal(CT) phase and uncollapse tetragonal(UCT) phase. We find in the CT phase the electronic correlation dramatically reduces respective to UCT phase. Meanwhile, the reduction of correlation in CT phase show an orbital selective effect: correlation in dxy reduces the most, and then dxz/yz, while the one in dz2-r2 almost keeps the same. In CT phase, almost all bands sink downwards to higher binding energy, leading to the hole like bands around Brillouin zone(BZ) center sink below EF compared with UCT phase. However, the electron pocket around Brillouin Zone(BZ) corner(M) in UCT phase, forms a hole pocket around BZ center(Z point) in CT phase. Moreover, the dxy exhibits larger movement down to higher binding energy, resulting in farther away from dyz/xz and closer to dxy.We propose the electron filling ,namely high spin state in UCT phase to low spin state in CT phase(due to competing between crystal structure field and Hund's coupling), other than the Fermi surface nesting might be responsible for the absent of magnetic ordering.

  8. GRB hosts through cosmic time. VLT/X-Shooter emission-line spectroscopy of 96 γ-ray-burst-selected galaxies at 0.1

    Science.gov (United States)

    Krühler, T.; Malesani, D.; Fynbo, J. P. U.; Hartoog, O. E.; Hjorth, J.; Jakobsson, P.; Perley, D. A.; Rossi, A.; Schady, P.; Schulze, S.; Tanvir, N. R.; Vergani, S. D.; Wiersema, K.; Afonso, P. M. J.; Bolmer, J.; Cano, Z.; Covino, S.; D'Elia, V.; de Ugarte Postigo, A.; Filgas, R.; Friis, M.; Graham, J. F.; Greiner, J.; Goldoni, P.; Gomboc, A.; Hammer, F.; Japelj, J.; Kann, D. A.; Kaper, L.; Klose, S.; Levan, A. J.; Leloudas, G.; Milvang-Jensen, B.; Nicuesa Guelbenzu, A.; Palazzi, E.; Pian, E.; Piranomonte, S.; Sánchez-Ramírez, R.; Savaglio, S.; Selsing, J.; Tagliaferri, G.; Vreeswijk, P. M.; Watson, D. J.; Xu, D.

    2015-09-01

    We present data and initial results from VLT/X-Shooter emission-line spectroscopy of 96 galaxies selected by long γ-ray bursts (GRBs) at 0.1 Swift and 76% are at 0.5 2 by ~0.4 dex. These properties of GRB hosts and their evolution with redshift can be understood in a cosmological context of star-forming galaxies and a picture in which the hosts' properties at low redshift are influenced by the tendency of GRBs to avoid the most metal-rich environments. Based on observations at ESO, Program IDs: 084.A-0260, 084.A-0303, 085.A-0009, 086.B-0954, 086.A-0533, 086.A-0874, 087.A-0055, 087.A-0451, 087.B-0737, 088.A-0051, 088.A-0644, 089.A-0067, 089.A-0120, 089.D-0256, 089.A-0868, 090.A-0088, 090.A-0760, 090.A-0825, 091.A-0342, 091.A-0703, 091.A-0877, 091.C-0934, 092.A-0076, 092.A-0124, 092.A-0231, 093.A-0069, 094.A-0593.Tables 1-4 and appendices are available in electronic form at http://www.aanda.orgThe reduced spectra are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/581/A125

  9. Assessment of optical path length in tissue using neodymium and water absorptions for application to near-infrared spectroscopy.

    Science.gov (United States)

    Nighswander-Rempel, Stephen P; Kupriyanov, Valery V; Shaw, R Anthony

    2005-01-01

    Quantitative analysis of blood oxygen saturation using near-IR spectroscopy is made difficult by uncertainties in both the absolute value and the wavelength dependence of the optical path length. We introduce a novel means of assessing the wavelength dependence of path length, exploiting the relative intensities of several absorptions exhibited by an exogenous contrast agent (neodymium). Combined with a previously described method that exploits endogenous water absorptions, the described technique estimates the absolute path length at several wavelengths throughout the visible/near-IR range of interest. Isolated rat hearts (n = 11) are perfused separately with Krebs-Henseleit buffer (KHB) and a KHB solution to which neodymium had been added, and visible/near-IR spectra are acquired using an optical probe made up of emission and collection fibers in concentric rings of diameters 1 and 3 mm, respectively. Relative optical path lengths at 520, 580, 679, 740, 800, 870, and 975 nm are 0.41+/-0.13, 0.49+/-0.21, 0.90+/-0.09, 0.94+/-0.01, 1.00, 0.84+/-0.01, and 0.78+/-0.08, respectively. The absolute path length at 975 nm is estimated to be 3.8+/-0.6 mm, based on the intensity of the water absorptions and the known tissue water concentration. These results are strictly valid only for the experimental geometry applied here. Copyright 2005 Society of Photo-Optical Instrumentation Engineers.

  10. UV-VIS absorption spectroscopy: Lambert-Beer reloaded

    Science.gov (United States)

    Mäntele, Werner; Deniz, Erhan

    2017-02-01

    UV-VIS absorption spectroscopy is used in almost every spectroscopy laboratory for routine analysis or research. All spectroscopists rely on the Lambert-Beer Law but many of them are less aware of its limitations. This tutorial discusses typical problems in routine spectroscopy that come along with technical limitations or careless selection of experimental parameters. Simple rules are provided to avoid these problems.

  11. Chiroptical Spectroscopy

    Science.gov (United States)

    Gurst, Jerome E.

    1995-09-01

    A brief review of the literature, and Chemical and Engineering News in particular, reveals that the determination and use of optical activity is of increasing importance in today's commercial and research laboratories. The classical technique is to measure [alpha]D using a manual or recording polarimeter to provide a single value, the specific rotation at 589 nm. A spectropolarimeter can be used to determine optical activity through the UV-Visible spectrum (Optical Rotatory Dispersion [ORD]). At wavelengths far removed from electronic absorption bands, optical activity arises from circular birefringence, or the difference in the refractive index for left- and right-circularly polarized light; i.e., nL - nR does not equal zero for chiral materials. If the optical activity is measured through an absorption band, complex behavior is observed (a Cotton Effect curve). At an absorption band, chiral materials exhibit circular dichroism (CD), or a difference in the absorption of left- and right-circularly polarized light; epsilon L minus epsilon R does not equal zero. If the spectropolarimeter is set for the measurement of CD spectra, one observes what appears to be a UV-Vis spectrum except that some absorption bands are positive while others may be negative. Just as enantiomers have specific rotations that are equal and opposite at 589 nm (sodium D line), rotations are equal and opposite at all wavelengths, and CD measurements are equal and opposite at all wavelengths. Figure 1 shows the ORD curves for the enantiomeric carvones while Figure 2 contains the CD curves. The enantiomer of carvone that has the positive [alpha]D is obtained from caraway seeds and is known to have the S-configuration while the R-enantiomer is found in spearmint oil. Figure 1. ORD of S-(+)- and R-(-)-carvones Figure 2. CD of S-(+)- and R-(-)-carvones While little can be done to correlate stereochemistry with [alpha]D values, chiroptical spectroscopy (ORD and/or CD) often can be used to assign

  12. Basic molecular spectroscopy

    CERN Document Server

    Gorry, PA

    1985-01-01

    BASIC Molecular Spectroscopy discusses the utilization of the Beginner's All-purpose Symbolic Instruction Code (BASIC) programming language in molecular spectroscopy. The book is comprised of five chapters that provide an introduction to molecular spectroscopy through programs written in BASIC. The coverage of the text includes rotational spectra, vibrational spectra, and Raman and electronic spectra. The book will be of great use to students who are currently taking a course in molecular spectroscopy.

  13. Symposium on atomic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    1979-01-01

    Topics covered by the conference include: fast beam spectroscopy; astrophysical and other spectra; highly ionized spectroscopy; complex spectra; rydberg levels; fine structure, hyperfine structure and isotope shift; lineshapes; lifetimes, oscillator strengths and Einstein coefficients; and spectroscopy with lasers. Abstracts of the conference papers are presented. (GHT)

  14. 8TH International Meeting on Hole Burning Single Molecule and Related Spectroscopies: Science and Applications

    Science.gov (United States)

    2003-07-01

    The 8th International Meeting on Hole Burning, Single Molecule , and Related Spectroscopies: Science and Applications (HBSM 2003) was held in Bozeman...fundamental science and applications of site-selective spectroscopies, spectral hole burning and single molecule spectroscopy, photon echoes, and related... Single molecule detection and spectroscopy, Laser frequency stabilization to SHB references, Optical storage and signal processing, Dephasing and spectral

  15. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    2000-01-01

    This fifth volume of the successful series Advances in Atomic Spectroscopy continues to discuss and investigate the area of atomic spectroscopy.It begins with a description of the use of various atomic spectroscopic methods and applications of speciation studies in atomic spectroscopy. The emphasis is on combining atomic spectroscopy with gas and liquid chromatography. In chapter two the authors describe new developments in tunable lasers and the impact they will have on atomic spectroscopy. The traditional methods of detection, such as photography and the photomultiplier, and how they are being replaced by new detectors is discussed in chapter three. The very active area of glow discharge atomic spectrometry is presented in chapter four where, after a brief introduction and historical review, the use of glow discharge lamps for atomic spectroscopy and mass spectrometry are discussed. Included in this discussion is geometry and radiofrequency power. The future of this source in atomic spectroscopy is also dis...

  16. High-resolution narrowband CARS spectroscopy in the spectral fingerprint region

    NARCIS (Netherlands)

    Chimento, P.F.; Jurna, M.; Bouwmans, H.S.P.; Garbacik, E.T.; Garbacik, E.T.; Hartsuiker, Liesbeth; Otto, Cornelis; Herek, Jennifer Lynn; Offerhaus, Herman L.

    2010-01-01

    Coherent anti-Stokes Raman scattering (CARS) spectroscopy is an important technique for spectroscopy and chemically selective microscopy, but wider implementation requires dedicated versatile tunable sources. We describe an optical parametric oscillator (OPO) based on a magnesium oxide-doped

  17. Advances in DUV spectroscopy

    DEFF Research Database (Denmark)

    Buchhave, Preben; Tidemand-Lichtenberg, Peter; Mogensen, Claus Tilsted

    The would-be advantages of deep UV (DUV) spectroscopy are well known, but the potential applications have so far not been fully realized due to technological limitations and, perhaps, lack of bright ideas. However, new components and new knowledge about DUV spectra and spectroscopic methods...... combined with increasing needs for solutions to practical problems in environmental protection, medicine and pollution monitoring promise a new era in DUV spectroscopy. Here we shall review the basis for DUV spectroscopy, both DUV fluorescence and DUV Raman spectroscopy, and describe recent advances...

  18. Ultrafast Nonlinear Optical Spectroscopy

    National Research Council Canada - National Science Library

    Wagner, Kelvin

    1999-01-01

    We have developed an Ultrafast optical nonlinear spectroscopy facility with the motivation of studying spatio-temporal soliton interactions for all-optical switching application and several associated...

  19. Near-infrared spectroscopy for cocrystal screening

    DEFF Research Database (Denmark)

    Allesø, Morten; Velaga, Sitaram; Alhalaweh, Amjad

    2008-01-01

    of pure references. In addition, Raman spectroscopy provided additional information on the crystal structure of the IND-SAC cocrystal. The broad spectral line shapes of NIR spectra make visual interpretation of the spectra difficult, and consequently, multivariate modeling by principal component analysis...... the analytical potential of NIR spectroscopy for cocrystal screening using Raman spectroscopy as a comparative method. Indomethacin was used as the parent molecule, while saccharin and l-aspartic acid were chosen as guest molecules. Molar ratios of 1:1 for each system were subjected to two types of preparative...... retained in a physical mixture with the guest molecule, while liquid-assisted cogrinding did not induce any changes in the crystal lattice. The good chemical peak selectivity of Raman spectroscopy allowed a straightforward interpretation of sample data by analyzing peak positions and comparing to those...

  20. A study of thermaů decomposition and combustion products of disposable polyethylene terephtalate plastic using high resolution fourier transform infrared spectroscopy, selected ion flow tube mass spectrometry and gas chromatography mass spectrometry

    Czech Academy of Sciences Publication Activity Database

    Sovová, Kristýna; Ferus, Martin; Matulková, Irena; Španěl, Patrik; Dryahina, Kseniya; Dvořák, O.; Civiš, Svatopluk

    2008-01-01

    Roč. 106, 9-10 (2008), s. 1205-1214 ISSN 0026-8976 R&D Projects: GA AV ČR IAA400400705; GA ČR GA202/06/0776 Institutional research plan: CEZ:AV0Z40400503 Keywords : polyethylene terephtalate (PET) * combustion * high resolution FTIR spectroscopy * GC-MS * SIFT-MS Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.478, year: 2008

  1. UV-VIS absorption spectroscopy: Lambert-Beer reloaded.

    Science.gov (United States)

    Mäntele, Werner; Deniz, Erhan

    2017-02-15

    UV-VIS absorption spectroscopy is used in almost every spectroscopy laboratory for routine analysis or research. All spectroscopists rely on the Lambert-Beer Law but many of them are less aware of its limitations. This tutorial discusses typical problems in routine spectroscopy that come along with technical limitations or careless selection of experimental parameters. Simple rules are provided to avoid these problems. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. 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.

  3. Progress in field spectroscopy

    NARCIS (Netherlands)

    Milton, E.J.; Schaepman, M.E.; Anderson, K.; Kneubühler, M.; Fox, N.

    2009-01-01

    This paper reviews developments in the science of field spectroscopy, focusing on the last twenty years in particular. During this period field spectroscopy has become established as an important technique for characterising the reflectance of natural surfaces in situ, for supporting the vicarious

  4. Quantum-limit spectroscopy

    CERN Document Server

    Ficek, Zbigniew

    2017-01-01

    This book covers the main ideas, methods, and recent developments of quantum-limit optical spectroscopy and applications to quantum information, resolution spectroscopy, measurements beyond quantum limits, measurement of decoherence, and entanglement. Quantum-limit spectroscopy lies at the frontier of current experimental and theoretical techniques, and is one of the areas of atomic spectroscopy where the quantization of the field is essential to predict and interpret the existing experimental results. Currently, there is an increasing interest in quantum and precision spectroscopy both theoretically and experimentally, due to significant progress in trapping and cooling of single atoms and ions. This progress allows one to explore in the most intimate detail the ways in which light interacts with atoms and to measure spectral properties and quantum effects with high precision. Moreover, it allows one to perform subtle tests of quantum mechanics on the single atom and single photon scale which were hardly eve...

  5. Laser techniques for spectroscopy of core-excited atomic levels

    Science.gov (United States)

    Harris, S. E.; Young, J. F.; Falcone, R. W.; Rothenberg, J. E.; Willison, J. R.

    1982-01-01

    We discuss three techniques which allow the use of tunable lasers for high resolution and picosecond time scale spectroscopy of core-excited atomic levels. These are: anti-Stokes absorption spectroscopy, laser induced emission from metastable levels, and laser designation of selected core-excited levels.

  6. Salmon Muscle Adherence to Polymer Coatings and Determination of Antibiotic Residues by Reversed-Phase High-Performance Liquid Chromatography Coupled to Selected Reaction Monitoring Mass Spectrometry, Atomic Force Microscopy, and Fourier Transform Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    E. Zumelzu

    2015-01-01

    Full Text Available The persistent adhesion of salmon muscle to food container walls after treatment with urea solution was observed. This work evaluated the diffusion of antibiotics from the salmon muscle to the polyethylene terephthalate (PET coating protecting the electrolytic chromium coated steel (ECCS plates. New aquaculture production systems employ antibiotics such as florfenicol, florfenicol amine, oxytetracycline, and erythromycin to control diseases. The introduction of antibiotics is a matter of concern regarding the effects on human health and biodiversity. It is important to determine their impact on the adhesion of postmortem salmon muscle to can walls and the surface and structural changes affecting the functionality of multilayers. This work characterized the changes occurring in the multilayer PET polymer and steel of containers by electron microscopy, 3D atomic force microscopy (3D-AFM, X-ray photoelectron spectroscopy (XPS, and Fourier transform infrared spectroscopy (FT-IR analyses. A robust mass spectrometry methodology was employed to determine the presence of antibiotic residues. No evidence of antibiotics was observed on the protective coating in the range between 0.001 and 2.0 ng/mL; however, the presence of proteins, cholesterol, and alpha-carotene was detected. This in-depth profiling of the matrix-level elements is relevant for the use of adequate materials in the canning export industry.

  7. Linear and nonlinear optical spectroscopy: Spectral, temporal and spatial resolution

    DEFF Research Database (Denmark)

    Hvam, Jørn Marcher

    1997-01-01

    Selected linear and nonlinear optical spectroscopies are being described with special emphasis on the possibility of obtaining simultaneous spectral, temporal and spatial resolution. The potential of various experimental techniques is being demonstrated by specific examples mostly taken from...

  8. Cavity-enhanced spectroscopies

    CERN Document Server

    van Zee, Roger

    2003-01-01

    ""Cavity-Enhanced Spectroscopy"" discusses the use of optical resonators and lasers to make sensitive spectroscopic measurements. This volume is written by the researcchers who pioneered these methods. The book reviews both the theory and practice behind these spectroscopic tools and discusses the scientific discoveries uncovered by these techniques. It begins with a chapter on the use of optical resonators for frequency stabilization of lasers, which is followed by in-depth chapters discussing cavity ring-down spectroscopy, frequency-modulated, cavity-enhanced spectroscopy, intracavity spectr

  9. Foundations of laser spectroscopy

    CERN Document Server

    Stenholm, Stig

    2005-01-01

    A simple presentation of the theoretical foundations of steady-state laser spectroscopy, this text helps students to apply theory to calculations with a systematic series of examples and exercises. 1984 edition.

  10. Ultrafast infrared vibrational spectroscopy

    CERN Document Server

    Fayer, Michael D

    2013-01-01

    The past ten years or so have seen the introduction of multidimensional methods into infrared and optical spectroscopy. The technology of multidimensional spectroscopy is developing rapidly and its applications are spreading to biology and materials science. Edited by a recognized leader in the field and with contributions from top researchers, including experimentalists and theoreticians, this book presents the latest research methods and results and will serve as an excellent resource for other researchers.

  11. Electronic Spectroscopy & Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Mark Maroncelli, Nancy Ryan Gray

    2010-06-08

    The Gordon Research Conference (GRC) on Electronic Spectroscopy and Dynamics was held at Colby College, Waterville, NH from 07/19/2009 thru 07/24/2009. The Conference was well-attended with participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. The GRC on Electronic Spectroscopy & Dynamics showcases some of the most recent experimental and theoretical developments in electronic spectroscopy that probes the structure and dynamics of isolated molecules, molecules embedded in clusters and condensed phases, and bulk materials. Electronic spectroscopy is an important tool in many fields of research, and this GRC brings together experts having diverse backgrounds in physics, chemistry, biophysics, and materials science, making the meeting an excellent opportunity for the interdisciplinary exchange of ideas and techniques. Topics covered in this GRC include high-resolution spectroscopy, biological molecules in the gas phase, electronic structure theory for excited states, multi-chromophore and single-molecule spectroscopies, and excited state dynamics in chemical and biological systems.

  12. Dielectric spectroscopy in agrophysics

    Science.gov (United States)

    Skierucha, W.; Wilczek, A.; Szypłowska, A.

    2012-04-01

    The paper presents scientific foundation and some examples of agrophysical applications of dielectric spectroscopy techniques. The aim of agrophysics is to apply physical methods and techniques for studies of materials and processes which occur in agriculture. Dielectric spectroscopy, which describes the dielectric properties of a sample as a function of frequency, may be successfully used for examinations of properties of various materials. Possible test materials may include agrophysical objects such as soil, fruit, vegetables, intermediate and final products of the food industry, grain, oils, etc. Dielectric spectroscopy techniques enable non-destructive and non-invasive measurements of the agricultural materials, therefore providing tools for rapid evaluation of their water content and quality. There is a limited number of research in the field of dielectric spectroscopy of agricultural objects, which is caused by the relatively high cost of the respective measurement equipment. With the fast development of modern technology, especially in high frequency applications, dielectric spectroscopy has great potential of expansion in agrophysics, both in cognitive and utilitarian aspects.

  13. Terahertz Spectroscopy and Imaging

    CERN Document Server

    Zeitler, Axel; Kuwata-Gonokami, Makoto

    2013-01-01

    "This book presents the current state of knowledge in the field of terahertz spectroscopy, providing a comprehensive source of information for beginners and experienced researchers alike whose interests lie in this area. The book aims to explain the fundamental physics that underpins terahertz  technology and to describe its key applications. Highlights of scientific research in the field of terahertz science are also outlined in some chapters, providing an overview as well as giving an insight into future directions for research.  Over the past decade terahertz spectroscopy has developed into one of the most rapidly growing areas of its kind, gaining an important impact across a wide range of scientific disciplines. Due to substantial advances in femtosecond laser technology, terahertz time-domain spectroscopy (THz-TDS) has established itself as the dominant spectroscopic technique for experimental scientists interested in measurements at this frequency range. In solids and liquids THz radiation is in reso...

  14. Plasmon enhanced spectroscopy.

    Science.gov (United States)

    Aroca, Ricardo F

    2013-04-21

    Surface enhanced spectroscopy encompasses a broad field of linear and nonlinear optical techniques that arose with the discovery of the surface-enhanced Raman scattering (SERS) effect. SERS enabled ultrasensitive and single molecule detection with molecular fingerprint specificity, opening the door for a large variety of chemical sensing applications. Basically, from the beginning it was realized that the necessary condition for SERS to be observed was the presence of a metallic nanostructure, and with this condition, the optical enhancement found a home in the field of plasmonics. Although plasmonic practitioners claim that SERS is "the most spectacular application of plasmonics", perhaps it is more appropriate to say that the spectacular development of plasmonics is due to SERS. Here is a brief recollection from surface enhanced spectroscopy to plasmon enhanced spectroscopy.

  15. Risk of eye damage from the wavelength-dependent biologically effective UVB spectrum irradiances

    National Research Council Canada - National Science Library

    Wang, Fang; Gao, Qian; Hu, Liwen; Gao, Na; Ge, Tiantian; Yu, Jiaming; Liu, Yang

    2012-01-01

    .... In order to quantify the ocular biologically effective UV (UVBE) irradiance exposure of different wavelengths and assess the risk of eye damage, UV exposure values were measured at Sanya, China (18.4° N, 109.7°E, altitude 18 m...

  16. Effects of phase changes on reflection and their wavelength dependence in optical profilometry.

    Science.gov (United States)

    Doi, T; Toyoda, K; Tanimura, Y

    1997-10-01

    The method as well as an appropriate instrumentation for measuring phase changes of reflected light is described. The phase changes on samples of Au, Al, Ag, and Cr evaporated films are measured for five wavelengths (lambda) from 442 to 633 nm, with respect to the phase change at the glass-air interface, where it should be zero. The measured results for the Au film are in fairly good agreement with values calculated by use of optical constants from a handbook or the complex refractive index measured by an ellipsometer. The phase changes for Al and Ag films are different from calculated values by ~5 degrees or a shift length of 4.4 nm at lambda = 633 nm, while those of the Cr film show large shifts as high as 16 degrees or a shift length of 9.8 nm at lambda = 442 nm.

  17. Observation of wavelength-dependent shift in Brewster angle in 3D photonic crystals

    Science.gov (United States)

    Priya; Nair, Rajesh V.

    2017-06-01

    The interaction of polarized light with photonic crystals exhibits unique features due to its sub-wavelength nature on the surface and the periodic variation of refractive index in the depth of the crystals. Here, we present a detailed study of polarization anisotropy in light scattering associated with three-dimensional photonic crystals with face centered cubic symmetry over a broad range of wavelength and angle. The polarization anisotropy leads to a shift in the conventional Brewster angle defined for a planar interface with certain refractive index. The observed shift in Brewster angle depends strongly on the index contrast and lattice constant. Polarization-dependent stop gap measurements are performed on photonic crystals with different index contrasts and lattice constants. These measurements indicate unique stop gap branching at high-symmetry points in the Brillouin zone of the photonic crystals. The inherited stop gap branching is observed for TE polarization whereas it is suppressed for TM polarization as a consequence of the Brewster effect. Our results have consequences in the scattering of polarized light from plasmonic structures and dielectric meta-surfaces and are also useful in applications such as nanoscale polarization splitters and lasers.

  18. Photochemistry of Aqueous C60 Clusters: Wavelength Dependency and Product Characterization

    Science.gov (United States)

    To construct accurate risk assessment models for engineered nanomaterials, there is urgent need for information on the reactivity (or conversely, persistence) and transformation pathways of these materials in the natural environment. As an important step toward addressing this is...

  19. Wavelength-Dependence on the Initiation of Iron-Based Photoactive Explosives

    Science.gov (United States)

    Brown, Kathryn; Myers, Thomas; Clarke, Steven

    2017-06-01

    Photoactive explosives show promise to be relatively insensitive to impact and friction compared to PETN and other detonator materials, but can be more easily initiated with laser light. Metal-ligand charge transfer (MLCT) complexes have been shown to have tunable explosive properties and absorption profiles, making them strong candidates for laser detonator material. Here, we discuss the synthesis and characterization of several iron-based MLCT complexes, as well as results from recent experiments on their sensitivity to initiation from different wavelengths of laser light.

  20. Wavelength dependent laser-induced etching of Cr–O doped GaAs ...

    Indian Academy of Sciences (India)

    Administrator

    formation of qualitatively superior nanostructure under sub-bandgap photon illumination. 2. Experimental. Two pieces of samples were prepared from Cr–O doped. GaAs 〈100〉 wafer with a resistivity of 10. 7 ohm-cm in HF solution. Prior to etching the samples were degreased with acetone, propane and methanol. The Cr ...

  1. The primary photoreaction of channelrhodopsin-1: wavelength dependent photoreactions induced by ground-state heterogeneity.

    Science.gov (United States)

    Stensitzki, Till; Muders, Vera; Schlesinger, Ramona; Heberle, Joachim; Heyne, Karsten

    2015-01-01

    The primary photodynamics of channelrhodopsin-1 from Chlamydomonas augustae (CaChR1) was investigated by VIS-pump supercontinuum probe experiments from femtoseconds to 100 picoseconds. In contrast to reported experiments on channelrhodopsin-2 from Chlamydomonas reinhardtii (CrChR2), we found a clear dependence of the photoreaction dynamics on varying the excitation wavelength. Upon excitation at 500 and at 550 nm we detected different bleaching bands, and spectrally distinct photoproduct absorptions in the first picoseconds. We assign the former to the ground-state heterogeneity of a mixture of 13-cis and all-trans retinal maximally absorbing around 480 and 540 nm, respectively. At 550 nm, all-trans retinal of the ground state is almost exclusively excited. Here, we found a fast all-trans to 13-cis isomerization process to a hot and spectrally broad P1 photoproduct with a time constant of (100 ± 50) fs, followed by photoproduct relaxation with time constants of (500 ± 100) fs and (5 ± 1) ps. The remaining fraction relaxes back to the parent ground state with time constants of (500 ± 100) fs and (5 ± 1) ps. Upon excitation at 500 nm a mixture of both chromophore conformations is excited, resulting in overlapping reaction dynamics with additional time constants of <300 fs, (1.8 ± 0.3) ps and (90 ± 25) ps. A new photoproduct Q is formed absorbing at around 600 nm. Strong coherent oscillatory signals were found pertaining up to several picoseconds. We determined low frequency modes around 200 cm(-1), similar to those reported for bacteriorhodopsin.

  2. Wavelength dependence of prepulse laser beams on EUV emission from CO2 reheated Sn plasma

    Science.gov (United States)

    Freeman, J. R.; Harilal, S. S.; Sizyuk, T.; Hassanein, A.; Rice, B.

    2012-03-01

    Extreme ultraviolet (EUV) emission from laser-produced plasmas (LPP) centered at 13.5 nm is considered a leading candidate for the light source in future lithography systems. Tin is currently the best material for generating this EUV emission since it emits strongly within the 13.5 nm region due to its various ionic states (Sn8+-Sn14+). Highly efficient and low-debris LPPs are a pre-requisite for their use as light sources for EUV lithography. Tin plasmas generate debris that can damage collection optics over time. Techniques to mitigate debris are needed to extend the lifetime of these components and the system. Optimization of plasma conditions is necessary for increasing EUV emission and enhancing conversion efficiency (CE). Improving the source CE is necessary in order to reduce the cost of ownership and hence, develop a commercially viable lithography system for the semiconductor industry. One method to accomplish this is to reheat pre-formed plasma with a laser pulse to enhance EUV emission. This enhancement is achieved by controlling those plasma conditions necessary for optimizing EUV emission. We investigated the role of prepulse laser wavelength on prepulse plume formation and EUV in-band signal enhancement. A 6 ns Nd:YAG laser operating at 1064 nm and 266 nm was used for generating the prepulse plume. The expanding plume was then reheated by a 35 ns CO2 laser operating at 10.6 μm. The role of prepulse wavelength and energy on EUV conversion efficiency is discussed.

  3. The emission wavelength dependent photoluminescence lifetime of the N-doped graphene quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Xingxia [Research Center of Quantum Macro-Phenomenon and Application, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210 (China); School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Sun, Jing; Yang, Siwei; Ding, Guqiao, E-mail: gqding@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Shen, Hao; Zhou, Wei; Lu, Jian [Research Center of Quantum Macro-Phenomenon and Application, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210 (China); Wang, Zhongyang, E-mail: wangzy@sari.ac.cn [Research Center of Quantum Macro-Phenomenon and Application, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210 (China); School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210 (China)

    2015-12-14

    Aromatic nitrogen doped graphene quantum dots were investigated by steady-state and time-resolved photoluminescence (PL) techniques. The PL lifetime was found to be dependent on the emission wavelength and coincident with the PL spectrum, which is different from most semiconductor quantum dots and fluorescent dyes. This result shows the synergy and competition between the quantum confinement effect and edge functional groups, which may have the potential to guide the synthesis and expand the applications of graphene quantum dots.

  4. Wavelength-dependent change of retinal nerve fiber layer reflectance in glaucomatous retinas.

    Science.gov (United States)

    Huang, Xiang-Run; Zhou, Ye; Knighton, Robert W; Kong, Wei; Feuer, William J

    2012-08-24

    Retinal nerve fiber layer (RNFL) reflectance is often used in optical methods for RNFL assessment in clinical diagnosis of glaucoma, yet little is known about the reflectance property of the RNFL under the development of glaucoma. This study measured the changes in RNFL reflectance spectra that occurred in retinal nerve fiber bundles with different degrees of glaucomatous damage. A rat model of glaucoma with laser photocoagulation of trabecular meshwork was used. Reflectance of the RNFL in an isolated retina was measured at wavelengths of 400-830 nm. Cytostructural distribution of the bundles measured optically was evaluated by confocal imaging of immunohistochemistry staining of cytoskeletal components, F-actin, microtubules, and neurofilaments. RNFL reflectance spectra were studied in bundles with normal-looking appearance, early F-actin distortion, and apparent damage of all cytoskeletal components. Changes of RNFL reflectance spectra were studied at different radii (0.22, 0.33, and 0.44 mm) from the optic nerve head (ONH). Bundles in 30 control retinas and 41 glaucomatous retinas were examined. In normal retinas, reflectance spectra were similar along the same bundles. In glaucomatous retinas, reflectance spectra changed along bundles with the spectra becoming flatter as bundle areas approached the ONH. Elevation of intraocular pressure (IOP) causes nonuniform changes in RNFL reflectance across wavelengths. Changes of reflectance spectra occur early in bundles near the ONH and prior to apparent cytoskeletal distortion. Using the ratio of RNFL reflectance measured at different wavelengths can provide early and sensitive detection of glaucomatous damage.

  5. Wavelength dependent laser-induced etching of Cr–O doped GaAs ...

    Indian Academy of Sciences (India)

    http://www.ias.ac.in/article/fulltext/boms/032/01/0031-0035 ... Department of Applied Sciences and Humanities, Faculty of Engineering and Technology, Jamia Millia Islamia (Central University), New Delhi 110 025, India; Department of Physics, Indian Institute of Technology, New Delhi 110 016, India; Department of ...

  6. Wavelength dependence of picosecond laser-induced periodic surface structures on copper

    Science.gov (United States)

    Maragkaki, Stella; Derrien, Thibault J.-Y.; Levy, Yoann; Bulgakova, Nadezhda M.; Ostendorf, Andreas; Gurevich, Evgeny L.

    2017-09-01

    The physical mechanisms of the laser-induced periodic surface structures (LIPSS) formation are studied in this paper for single-pulse irradiation regimes. The change in the LIPSS period with wavelength of incident laser radiation is investigated experimentally, using a picosecond laser system, which provides 7-ps pulses in near-IR, visible, and UV spectral ranges. The experimental results are compared with predictions made under the assumption that the surface-scattered waves are involved in the LIPSS formation. Considerable disagreement suggests that hydrodynamic mechanisms can be responsible for the observed pattern periodicity.

  7. Screening spectroscopy of prostate cancer

    Science.gov (United States)

    Yermolenko, S. B.; Voloshynskyy, D. I.; Fedoruk, O. S.

    2015-11-01

    The aim of the study was to establish objective parameters of the field of laser and incoherent radiation of different spectral ranges (UV, visible, IR) as a non-invasive optical method of interaction with different samples of biological tissues and fluids of patients to determine the state of prostate cancer and choosing the best personal treatment. The objects of study were selected venous blood plasma of patient with prostate cancer, histological sections of rat prostate gland in the postoperative period. As diagnostic methods have been used ultraviolet spectrometry samples of blood plasma in the liquid state, infrared spectroscopy middle range (2,5-25 microns) dry residue of plasma by spectral diagnostic technique of thin histological sections of biological tissues.

  8. Infrared spectroscopy of stars

    Science.gov (United States)

    Merrill, K. M.; Ridgway, S. T.

    1979-01-01

    This paper reviews applications of IR techniques in stellar classification, studies of stellar photospheres, elemental and isotopic abundances, and the nature of remnant and ejected matter in near-circumstellar regions. Qualitative IR spectral classification of cool and hot stars is discussed, along with IR spectra of peculiar composite star systems and of obscured stars, and IR characteristics of stellar populations. The use of IR spectroscopy in theoretical modeling of stellar atmospheres is examined, IR indicators of stellar atmospheric composition are described, and contributions of IR spectroscopy to the study of stellar recycling of interstellar matter are summarized. The future of IR astronomy is also considered.

  9. Continuous correction of differential path length factor in near-infrared spectroscopy

    Science.gov (United States)

    Talukdar, Tanveer; Moore, Jason H.; Diamond, Solomon G.

    2013-05-01

    In continuous-wave near-infrared spectroscopy (CW-NIRS), changes in the concentration of oxyhemoglobin and deoxyhemoglobin can be calculated by solving a set of linear equations from the modified Beer-Lambert Law. Cross-talk error in the calculated hemodynamics can arise from inaccurate knowledge of the wavelength-dependent differential path length factor (DPF). We apply the extended Kalman filter (EKF) with a dynamical systems model to calculate relative concentration changes in oxy- and deoxyhemoglobin while simultaneously estimating relative changes in DPF. Results from simulated and experimental CW-NIRS data are compared with results from a weighted least squares (WLSQ) method. The EKF method was found to effectively correct for artificially introduced errors in DPF and to reduce the cross-talk error in simulation. With experimental CW-NIRS data, the hemodynamic estimates from EKF differ significantly from the WLSQ (p<0.001). The cross-correlations among residuals at different wavelengths were found to be significantly reduced by the EKF method compared to WLSQ in three physiologically relevant spectral bands 0.04 to 0.15 Hz, 0.15 to 0.4 Hz and 0.4 to 2.0 Hz (p<0.001). This observed reduction in residual cross-correlation is consistent with reduced cross-talk error in the hemodynamic estimates from the proposed EKF method.

  10. Near-infrared spectroscopy in evaluation of cerebral oxygenation during vasovagal syncope.

    Science.gov (United States)

    Szufladowicz, E; Maniewski, R; Kozluk, E; Zbiec, A; Nosek, A; Walczak, F

    2004-08-01

    Near-infrared spectroscopy (NIRS) offers a non-invasive, real-time monitoring of cerebral oxygenation. This method is based on the oxygenation and the light wavelength dependent absorption of near-infrared light by tissue chromophores, e.g. oxyhaemoglobin and deoxyhaemoglobin. The objective of the present study was the application of NIRS for evaluation of the brain function during vasovagal syncope (VVS). The VVS is a clinical syndrome affecting ca 3.5% of the population and for which the widely used diagnostic examination in this disease entity is the head-up tilt table test (HUT). In this study 69 patients with a history of VVS were examined using HUT. In 42 patients VVS was provoked. Results of the examination have shown that the changes in cerebral oxygenation measured by the NIRS technique are distinctly visible before the syncope. A gradual decrease of oxyhaemoglobin followed by its sudden drop was observed in all the VVS patients. Changes in the oxyhaemoglobin concentration measured by NIRS were observed on average 3.3 min before the syncope. They preceded the presyncope symptoms about 1.3 min (p < 0.005), the blood pressure and heart rate drop 2.2 min (p < 0.0001) and the arterial blood saturation 2.6 min (p < 0.00001).

  11. Single-Molecule Spectroscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 2. Single-Molecule Spectroscopy: Every Molecule is Different! Kankan Bhattacharyya. General Article Volume 20 Issue 2 February 2015 pp 151-164. Fulltext. Click here to view fulltext PDF. Permanent link:

  12. Spectroscopy of new particles

    Energy Technology Data Exchange (ETDEWEB)

    Goldhaber, G.

    1977-08-01

    A review of the spectroscopy of the ''psions'' with hidden charm or charm quantum number ch = o is followed by a discussion of charmed mesons and baryons. The anomalous C-..mu.. events and the heavy lepton hypothesis are briefly considered. (SDF)

  13. Lasers for Frontier Spectroscopy

    Science.gov (United States)

    Baldacchini, Giuseppe

    The first laser has been invented in 1960 by using the red light from a ruby crystal, and since then the laser field exploded almost exponentially, and thousands of different materials, in the state of solids, liquids, vapors, gases, plasmas, and elementary particles have lased up to now from less than I Å to more than 1 mm. Many of them have been used with outstanding results both in basic science, and in industrial and commercial applications, by changing for ever the same lifestyle of humankind. As far as spectroscopy is concerned, the laser light has started an unprecedented revolution because of its unique properties as monochromaticity, coherence, power, brightness and short-pulse regime, unrivaled by any other natural and artificial light source. Spectroscopy applications increased qualitatively and quantitatively with the laser sources themselves, and they are still proceeding in parallel with the moving of the laser field towards new territories. Apart the opening up of new regions of the electromagnetic spectrum, like the terahertz gap, and the outstanding increase of the output power which is giving rise to completely new spectroscopic effects, the improvement of laser sources and auxiliary equipment is producing a growth of traditional laser spectroscopy with superior resolution and sensitivity. Moreover, spectroscopic techniques and laser light contributed to the development of new chemical and physical processes which have been used to fabricate photonic materials with new spectroscopic properties enriching the laser field itself, in a virtuous cycle spectroscopy→aser→material and back to spectroscopy with no end in sight.

  14. Electron Paramagnetic Resonance Spectroscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 11. Electron Paramagnetic Resonance Spectroscopy: Biological Applications. B G Hegde. General Article Volume 20 Issue 11 November 2015 pp 1017-1032. Fulltext. Click here to view fulltext PDF. Permanent link:

  15. Nuclear Magnetic Resonance Spectroscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 9; Issue 1. Nuclear Magnetic Resonance Spectroscopy. Susanta Das. General Article Volume 9 Issue 1 January 2004 pp 34-49. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/009/01/0034-0049. Keywords.

  16. Nuclear spectroscopy with direct relations II. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Throw, F. E. [ed.

    1964-03-01

    The Symposium on Nuclear Spectroscopy with Direct Reactions, sponsored and organized by Argonne National Laboratory under the auspices of the U. S. Atomic Energy Commission, was held on 9-11 March 1964 at the Center for Continuing Education, University of Chicago. The present volume contains the invited papers along with abstracts or summaries of the few short papers selected for their special relevance to the topics of the invited lecturers . Edited versions of the discussions are also included.

  17. Broadband Rotational Spectroscopy

    Science.gov (United States)

    Pate, Brooks

    2014-06-01

    The past decade has seen several major technology advances in electronics operating at microwave frequencies making it possible to develop a new generation of spectrometers for molecular rotational spectroscopy. High-speed digital electronics, both arbitrary waveform generators and digitizers, continue on a Moore's Law-like development cycle that started around 1993 with device bandwidth doubling about every 36 months. These enabling technologies were the key to designing chirped-pulse Fourier transform microwave (CP-FTMW) spectrometers which offer significant sensitivity enhancements for broadband spectrum acquisition in molecular rotational spectroscopy. A special feature of the chirped-pulse spectrometer design is that it is easily implemented at low frequency (below 8 GHz) where Balle-Flygare type spectrometers with Fabry-Perot cavity designs become technologically challenging due to the mirror size requirements. The capabilities of CP-FTMW spectrometers for studies of molecular structure will be illustrated by the collaborative research effort we have been a part of to determine the structures of water clusters - a project which has identified clusters up to the pentadecamer. A second technology trend that impacts molecular rotational spectroscopy is the development of high power, solid state sources in the mm-wave/THz regions. Results from the field of mm-wave chirped-pulse Fourier transform spectroscopy will be described with an emphasis on new problems in chemical dynamics and analytical chemistry that these methods can tackle. The third (and potentially most important) technological trend is the reduction of microwave components to chip level using monolithic microwave integrated circuits (MMIC) - a technology driven by an enormous mass market in communications. Some recent advances in rotational spectrometer designs that incorporate low-cost components will be highlighted. The challenge to the high-resolution spectroscopy community - as posed by Frank De

  18. Infrared spectroscopy of weakly bound molecular ions

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, Lisa I-Ching

    1988-11-01

    The infrared spectra of a series of hydrated hydronium cluster ions and of protonated ethane ion are presented. A tandem mass spectrometer is ideally suited to obtaining the spectra of such weakly bound molecular ions. Traditional absorption spectroscopy is not feasible in these situations, so the techniques described in this thesis make use of some consequence of photon absorption with higher sensitivity than simply attenuation of laser power. That consequence is dissociation. By first mass selecting the parent ion under study and then mass selecting the fragment ion formed from dissociation, the near unit detection efficiency of ion counting methods has been used to full advantage.

  19. Surface-Enhanced Raman Spectroscopy

    Indian Academy of Sciences (India)

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

  20. Antihydrogen Experiment Gravity Interferometry Spectroscopy

    CERN Multimedia

    Tietje, I C; Trezzi, D; Dassa, L; Rienacker, B; Khalidova, O; Ferrari, G; Krasnicky, D; Perini, D; Cerchiari, G; Belov, A; Boscolo, I; Sacerdoti, M G; Ferragut, R O; Nedelec, P; Hinterberger, A; Al-qaradawi, I; Malbrunot, C L S; Brusa, R S; Prelz, F; Manuzio, G; Riccardi, C; Fontana, A; Genova, P; Haider, S; Haug, F; Turbabin, A; Castelli, F; Testera, G; Lagomarsino, V E; Doser, M; Penasa, L; Gninenko, S; Cataneo, F; Zenoni, A; Cabaret, L; Comparat, D P; Zmeskal, J; Scampoli, P; Nesteruk, K P; Dudarev, A; Kellerbauer, A G; Mariazzi, S; Fesel, J V; Carraro, C; Zavatarelli, S M

    The AEGIS experiment (Antihydrogen Experiment: Gravity, Interferometry, Spectroscopy) has the aim of carrying out the first measurement of the gravitational interaction of antimatter to a precision of 1%, by applying techniques from atomic physics, laser spectroscopy and interferometry to a beam of antihydrogen atoms. A further goal of the experiment is to carry out spectroscopy of the antihydrogen atoms in flight.

  1. Mid-infrared upconversion spectroscopy

    DEFF Research Database (Denmark)

    Tidemand-Lichtenberg, Peter; Dam, Jeppe Seidelin; Andersen, H. V.

    2016-01-01

    Mid-infrared (MIR) spectroscopy is emerging as an attractive alternative to near-infrared or visible spectroscopy. MIR spectroscopy offers a unique possibility to probe the fundamental absorption bands of a large number of gases as well as the vibrational spectra of complex molecules. In this paper...

  2. Charm spectroscopy at the P¯ANDA experiment

    Science.gov (United States)

    Würschig, Thomas; Panda Collaboration

    2012-09-01

    Based on a short review of the current experimental status, future perspectives for the spectroscopy of charmed hadrons at P¯ANDA will be discussed. The main emphasis is on the sector of D mesons and charmonium systems. In contrast to other experiments, P¯ANDA will render possible high-precision spectroscopy for bound states of any quantum number. The expected detector performance is highlighted by simulation results of selected physics benchmark channels.

  3. Precision Muonium Spectroscopy

    CERN Document Server

    Jungmann, Klaus P

    2016-01-01

    The muonium atom is the purely leptonic bound state of a positive muon and an electron. It has a lifetime of 2.2 $\\mu$s. The absence of any known internal structure provides for precision experiments to test fundamental physics theories and to determine accurate values of fundamental constants. In particular groun dstate hyperfine structure transitions can be measured by microwave spectroscopy to deliver the muon magnetic moment. The frequency of the 1s-2s transition in the hydrogen-like atom can be determined with laser spectroscopy to obtain the muon mass. With such measurements fundamental physical interactions, in particular Quantum Electrodynamics, can also be tested at highest precision. The results are important input parameters for experiments on the muon magnetic anomaly. The simplicity of the atom enables further precise experiments, such as a search for muonium-antimuonium conversion for testing charged lepton number conservation and searches for possible antigravity of muons and dark matter.

  4. Spectroscopy of gravity

    Energy Technology Data Exchange (ETDEWEB)

    Abele, Hartmut; Bittner, Thomas; Cronenberg, Gunther; Filter, Hanno; Jenke, Tobias; Lemmel, Hartmut; Thalhammer, Martin [Atominstitut TU Wien, Wien (Austria); Geltenbort, Peter [Institut Laue-Langevin, Grenoble (France)

    2012-07-01

    This talk is about a test of the Newtons Inverse Square Law of Gravity at micron distances by quantum interference with ultra-cold neutrons deep into the theoretically interesting regime. The method is based on a new resonance spectroscopy technique related to Rabi spectroscopy, but it has been adapted to gravitationally bound quantum systems. By coupling such a quantum system to mechanical vibrations, we observe resonant transitions, devoid of electromagnetic interaction. As Newtonian gravity and hypothetical Fifth Forces evolve with different phase information, the experiment has the potential to test the equivalence principle and Newtons gravity law at the micron scale. This experiment can therefore test speculations on large extra dimensions of sub-millimetre size of space-time or the origin of the cosmological constant in the universe, where effects are predicted in the interesting range of this experiment and might give a signal in an improved setup.

  5. Femtosecond laser spectroscopy

    CERN Document Server

    Hannaford, Peter

    2005-01-01

    As concepts and methodologies have evolved over the past two decades, the realm of ultrafast science has become vast and exciting and has impacted many areas of chemistry, biology and physics, and other fields such as materials science, electrical engineering, and optical communication. The field has recently exploded with the announcement of a series of remarkable new developments and advances. This volume surveys this recent growth in eleven chapters written by leading international researchers in the field. It includes sections on femtosecond optical frequency combs, soft x-ray femtosecond laser sources, and attosecond laser sources. In addition, the contributors address real-time spectroscopy of molecular vibrations with sub-5-fs pulses and multidimensional femtosecond coherent spectroscopies for studying molecular and electron dynamics. Novel methods for measuring and characterizing ultrashort laser pulses and ultrashort pulses of light are also described. The topics covered are revolutionizing the field...

  6. Mössbauer Spectroscopy

    Science.gov (United States)

    Kuzmann, E.; Homonnay, Z.; Nagy, S.; Nomura, K.

    Mössbauer spectroscopy, based on the recoilless resonance emission and absorption of γ photons observed with certain atomic nuclei, is a powerful investigating tool in most disciplines of natural science ranging from physics to chemistry to biology. This nuclear method makes it possible to measure the energy difference between nuclear energy levels to an extremely high resolution (up to 13-15 decimals). This resolution is required to measure the slight variation of nuclear energy levels caused by electric monopole, electric quadrupole, and magnetic dipole interactions between the electrons and the nucleus. Mössbauer nuclides being at different microenvironments act as local probes for the sensitive detection of the hyperfine interactions. Such interactions reflect changes in the electronic, magnetic, geometric, or defect structure as well as in the lattice vibrations, serving as a basis for a variety of applications. In this chapter, the principles and some practical aspects of Mössbauer spectroscopy are described.

  7. Precision Muonium Spectroscopy

    Science.gov (United States)

    Jungmann, Klaus P.

    2016-09-01

    The muonium atom is the purely leptonic bound state of a positive muon and an electron. It has a lifetime of 2.2 µs. The absence of any known internal structure provides for precision experiments to test fundamental physics theories and to determine accurate values of fundamental constants. In particular ground state hyperfine structure transitions can be measured by microwave spectroscopy to deliver the muon magnetic moment. The frequency of the 1s-2s transition in the hydrogen-like atom can be determined with laser spectroscopy to obtain the muon mass. With such measurements fundamental physical interactions, in particular quantum electrodynamics, can also be tested at highest precision. The results are important input parameters for experiments on the muon magnetic anomaly. The simplicity of the atom enables further precise experiments, such as a search for muonium-antimuonium conversion for testing charged lepton number conservation and searches for possible antigravity of muons and dark matter.

  8. Nuclear Magnetic Resonance Spectroscopy

    Indian Academy of Sciences (India)

    protons and neutrons (both have a spin quantum number of 1/2) and the distribution of positive charge. NMR spectroscopy is most often concerned with nuclei with spin I = 1/2, examples of. Nuclei. Unpaired. Unpaired. Spin protons neutrons. IH. 1. 0. 1/2. 2H. 1. 1. 1 ..... tached to the oxygen in the COOH group. They are in ...

  9. $B$ spectroscopy at Tevatron

    Energy Technology Data Exchange (ETDEWEB)

    Kravchenko, I.

    2006-05-01

    Recent results on heavy flavor spectroscopy from the CDF and D0 experiments are reported in this contribution. Using up to 1 fb{sup -1} of accumulated luminosity per experiment, properties of X(3872), excited B** states, and the B{sub c} meson are measured. Also included are measurements of production rates for ground state b hadrons in p{bar p} collisions.

  10. Optical imaging and spectroscopy

    CERN Document Server

    Brady, David J

    2009-01-01

    An essential reference for optical sensor system design This is the first text to present an integrated view of the optical and mathematical analysis tools necessary to understand computational optical system design. It presents the foundations of computational optical sensor design with a focus entirely on digital imaging and spectroscopy. It systematically covers: Coded aperture and tomographic imaging Sampling and transformations in optical systems, including wavelets and generalized sampling techniques essential to digital system analysis Geometric, wave, and statis

  11. Layman friendly spectroscopy

    Science.gov (United States)

    Sentic, Stipo; Sessions, Sharon

    Affordable consumer grade spectroscopes (e.g. SCiO, Qualcomm Tricorder XPRIZE) are becoming more available to the general public. We introduce the concepts of spectroscopy to the public and K12 students and motivate them to delve deeper into spectroscopy in a dramatic participatory presentation and play. We use diffraction gratings, lasers, and light sources of different spectral properties to provide a direct experience of spectroscopy techniques. Finally, we invite the audience to build their own spectroscope--utilizing the APS SpectraSnapp cell phone application--and study light sources surrounding them in everyday life. We recontextualize the stigma that science is hard (e.g. ``Math, Science Popular Until Students Realize They're Hard,'' The Wall Street Journal) by presenting the material in such a way that it demonstrates the scientific method, and aiming to make failure an impersonal scientific tool--rather than a measure of one's ability, which is often a reason for shying away from science. We will present lessons we have learned in doing our outreach to audiences of different ages. This work is funded by the APS Outreach Grant ``Captain, we have matter matters!'' We thank New Mexico Tech Physics Department and Physics Club for help and technical equipment.

  12. Biomolecular EPR spectroscopy

    CERN Document Server

    Hagen, Wilfred Raymond

    2008-01-01

    Comprehensive, Up-to-Date Coverage of Spectroscopy Theory and its Applications to Biological SystemsAlthough a multitude of books have been published about spectroscopy, most of them only occasionally refer to biological systems and the specific problems of biomolecular EPR (bioEPR). Biomolecular EPR Spectroscopy provides a practical introduction to bioEPR and demonstrates how this remarkable tool allows researchers to delve into the structural, functional, and analytical analysis of paramagnetic molecules found in the biochemistry of all species on the planet. A Must-Have Reference in an Intrinsically Multidisciplinary FieldThis authoritative reference seamlessly covers all important bioEPR applications, including low-spin and high-spin metalloproteins, spin traps and spin lables, interaction between active sites, and redox systems. It is loaded with practical tricks as well as do's and don'ts that are based on the author's 30 years of experience in the field. The book also comes with an unprecedented set of...

  13. Photoelectron spectroscopy of supersonic molecular beams

    Energy Technology Data Exchange (ETDEWEB)

    Pollard, J.E.

    1982-05-01

    A new technique for performing high resolution molecular photoelectron spectroscopy is described, beginning with its conceptual development, through the construction of a prototypal apparatus, to the initial applications on a particularly favorable molecular system. The distinguishing features of this technique are: (1) the introduction of the sample in the form of a collimated supersonic molecular beam; and (2) the use of an electrostatic deflection energy analyzer which is carefully optimized in terms of sensitivity and resolution. This combination makes it possible to obtain photoelectron spectra at a new level of detail for many small molecules. Three experiments are described which rely on the capability to perform rotationally-resolved photoelectron spectroscopy on the hydrogen molecule and its isotopes. The first is a measurement of the ionic vibrational and rotational spectroscopic constants and the vibrationally-selected photoionization cross sections. The second is a determination of the photoelectron asymmetry parameter, ..beta.., for selected rotational transitions. The third is an investigation of the rotational relaxation in a free jet expansion, using photoelectron spectroscopy as a probe of the rotational state population distributions. In the closing chapter an assessment is made of the successes and limitations of the technique, and an indication is given of areas for further improvement in future spectrometers.

  14. Fourier transforms in spectroscopy

    CERN Document Server

    Kauppinen, Jyrki

    2000-01-01

    This modern approach to the subject is clearly and logically structured, and gives readers an understanding of the essence of Fourier transforms and their applications. All important aspects are included with respect to their use with optical spectroscopic data. Based on popular lectures, the authors provide the mathematical fundamentals and numerical applications which are essential in practical use. The main part of the book is dedicated to applications of FT in signal processing and spectroscopy, with IR and NIR, NMR and mass spectrometry dealt with both from a theoretical and practical poi

  15. Bottomonium Spectroscopy at CLEO

    CERN Document Server

    Seth, Kamal K

    2009-01-01

    Results of the latest CLEO contribution to bottomonium spectroscopy is presented, the confirmation of the eta_b(1S0) ground state of bottomonium in the radiative decay Upsilon(3S) -> gamma eta_b. The bottomonium hyperfine splitting is determined to be Delta M_hf(1S) = 68.5+-6.6+-2.0 MeV and the branching fraction B(Upsilon(3S) -> gamma eta_b=(7.1+-1.8+-1.1)x10^-4. These results are in good agreement with those reported by BaBar.

  16. Plasma polarization spectroscopy

    CERN Document Server

    Iwamae, Atsushi

    2008-01-01

    Plasma Polarization Spectroscopy (PPS) is now becoming a standard diagnostic technique for working with laboratory plasmas. This new area needs a comprehensive framework, both experimental and theoretical. This book reviews the historical development of PPS, develops a general theoretical formulation to deal with this phenomenon, along with an overview of relevant cross sections, and reports on laboratory experiments so far performed. It also includes various facets that are interesting from this standpoint, e.g. X-ray lasers and effects of microwave irradiation. It also offers a timely discussion of instrumentation that is quite important in a practical PPS experiment.

  17. Neutron resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gunsing, F

    2005-06-15

    The present document has been written in order to obtain the diploma 'Habilitation a Diriger des Recherches'. Since this diploma is indispensable to supervise thesis students, I had the intention to write a document that can be useful for someone starting in the field of neutron resonance spectroscopy. Although the here described topics are already described elsewhere, and often in more detail, it seemed useful to have most of the relevant information in a single document. A general introduction places the topic of neutron-nucleus interaction in a nuclear physics context. The large variations of several orders of magnitude in neutron-induced reaction cross sections are explained in terms of nuclear level excitations. The random character of the resonances make nuclear model calculation predictions impossible. Then several fields in physics where neutron-induced reactions are important and to which I have contributed in some way or another, are mentioned in a first synthetic chapter. They concern topics like parity nonconservation in certain neutron resonances, stellar nucleosynthesis by neutron capture, and data for nuclear energy applications. The latter item is especially important for the transmutation of nuclear waste and for alternative fuel cycles. Nuclear data libraries are also briefly mentioned. A second chapter details the R-matrix theory. This formalism is the foundation of the description of the neutron-nucleus interaction and is present in all fields of neutron resonance spectroscopy. (author)

  18. Photothermal spectroscopy of aerosols

    Energy Technology Data Exchange (ETDEWEB)

    Campillo, A.J.; Lin, H.B.

    1981-04-01

    In situ aerosol absorption spectroscopy was performed using two novel photothermal detection schemes. The first, based on a photorefractive effect and coherent detection, called phase fluctuation optical heterodyne (PFLOH) spectroscopy, could, depending on the geometry employed, yield particle specific or particle and gas absorption data. Single particles of graphite as small as 1 ..mu..m were detected in the particle specific mode. In another geometrical configuration, the total absorption (both gas and particle) of submicron sized aerosols of ammonium sulfate particles in equilibrium with gaseous ammonia and water vapor were measured at varying CO/sub 2/ laser frequencies. The specific absorption coefficient for the sulfate ion was measured to be 0.5 m/sup 2//g at 1087 cm/sup -1/. The absorption coefficient sensitivity of this scheme was less than or equal to 10/sup -8/ cm/sup -1/. The second scheme is a hybrid visible Mie scattering scheme incorporating photothermal modulation. Particle specific data on ammonium sulfate droplets were obtained. For chemically identical species, the relative absorption spectrum versus laser frequency can be obtained for polydisperse aerosol distributions directly from the data without the need for complex inverse scattering calculations.

  19. Entangled photon spectroscopy

    Science.gov (United States)

    Schlawin, Frank

    2017-10-01

    This tutorial outlines the theory of nonlinear spectroscopy with quantum light, and in particular with entangled photons. To this end, we briefly review molecular quantum electrodynamics, and discuss the approximations involved. Then we outline the perturbation theory underlying nonlinear spectroscopy. In contrast to the conventional semiclassical theory, our derivation starts from Glauber's photon counting formalism, and naturally includes the semiclassical theory as a special case. Finally, we review previous work, which we sort into work depending on the unusual features of quantum noise, and work relying upon quantum correlations in entangled photons. This work naturally draws from both quantum optics and chemical physics. Even though it is impossible to provide a comprehensive overview of both fields in one tutorial, this text aims to be self-contained. We refer to specialised reviews, where we cannot provide details. We do not attempt to provide an exhaustive review of all the literature, but rather focus on specific examples intended to elucidate the underlying physics, and merely cite the remaining publications.

  20. Ultrabroadband spectroscopy for security applications

    DEFF Research Database (Denmark)

    Engelbrecht, Sunniva; Berge, Luc; Skupin, Stefan

    2015-01-01

    Ultrabroadband spectroscopy is a promising novel approach to overcome two major hurdles which have so far limited the application of THz spectroscopy for security applications: the increased bandwidth enables to record several characteristic spectroscopic features and the technique allows for rem...... evaluation of the technique for defense and civil security applications.......Ultrabroadband spectroscopy is a promising novel approach to overcome two major hurdles which have so far limited the application of THz spectroscopy for security applications: the increased bandwidth enables to record several characteristic spectroscopic features and the technique allows...

  1. COMPLIS: COllinear spectroscopy Measurements using a Pulsed Laser Ion Source

    CERN Multimedia

    2002-01-01

    A Pulsed Laser spectroscopy experiment has been installed for the study of hyperfine structure and isotope shift of refractory and daughter elements from ISOLDE beams. It includes decelerated ion-implantation, element-selective laser ionization, magnetic and time-of-flight mass separation. The laser spectroscopy has been performed on the desorbed atoms in a set-up at ISOLDE-3 but later on high resolution laser collinear spectroscopy with the secondary pulsed ion beam is planned for the Booster ISOLDE set-up. During the first operation time of ISOLDE-3 we restricted our experiments to Doppler-limited resonant ionization laser and $\\gamma$-$\\gamma$ nuclear spectroscopy on neutron deficient platinum isotopes of even mass number down to A~=~186 and A~=~179 respectively. These isotopes have been produced by implantation of radioactive Hg and their subsequent $\\beta$-decay.

  2. Measurements of the Weak UV Absorptions of Isoprene and Acetone at 261–275 nm Using Cavity Ringdown Spectroscopy for Evaluation of a Potential Portable Ringdown Breath Analyzer

    Science.gov (United States)

    Sahay, Peeyush; Scherrer, Susan T.; Wang, Chuji

    2013-01-01

    The weak absorption spectra of isoprene and acetone have been measured in the wavelength range of 261–275 nm using cavity ringdown spectroscopy. The measured absorption cross-sections of isoprene in the wavelength region of 261–266 nm range from 3.65 × 10−21 cm2·molecule−1 at 261 nm to 1.42 × 10−21 cm2·molecule−1 at 266 nm; these numbers are in good agreement with the values reported in the literature. In the longer wavelength range of 270–275 nm, however, where attractive applications using a single wavelength compact diode laser operating at 274 nm is located, isoprene has been reported in the literature to have no absorption (too weak to be detected). Small absorption cross-sections of isoprene in this longer wavelength region are measured using cavity ringdown spectroscopy for the first time in this work, i.e., 6.20 × 10−23 cm2·molecule−1 at 275 nm. With the same experimental system, wavelength-dependent absorption cross-sections of acetone have also been measured. Theoretical detection limits of isoprene and comparisons of absorbance of isoprene, acetone, and healthy breath gas in this wavelength region are also discussed. PMID:23803787

  3. Quantum-Limited Spectroscopy

    CERN Document Server

    Truong, Gar-Wing; May, Eric F; Stace, Thomas M; Luiten, Andre N

    2015-01-01

    Spectroscopy has an illustrious history delivering serendipitous discoveries and providing a stringent testbed for new physical predictions, including applications from trace materials detection, to understanding the atmospheres of stars and planets, and even constraining cosmological models. Reaching fundamental-noise limits permits optimal extraction of spectroscopic information from an absorption measurement. Here we demonstrate a quantum-limited spectrometer that delivers high-precision measurements of the absorption lineshape. These measurements yield a ten-fold improvement in the accuracy of the excited-state (6P$_{1/2}$) hyperfine splitting in Cs, and reveals a breakdown in the well-known Voigt spectral profile. We develop a theoretical model that accounts for this breakdown, explaining the observations to within the shot-noise limit. Our model enables us to infer the thermal velocity-dispersion of the Cs vapour with an uncertainty of 35ppm within an hour. This allows us to determine a value for Boltzm...

  4. Near-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Virendra Jain

    2015-01-01

    Full Text Available Tissue ischaemia can be a significant contributor to increased morbidity and mortality. Conventional oxygenation monitoring modalities measure systemic oxygenation, but regional tissue oxygenation is not monitored. Near-infrared spectroscopy (NIRS is a non-invasive monitor for measuring regional oxygen saturation which provides real-time information. There has been increased interest in the clinical application of NIRS following numerous studies that show improved outcome in various clinical situations especially cardiac surgery. Its use has shown improved neurological outcome and decreased postoperative stay in cardiac surgery. Its usefulness has been investigated in various high risk surgeries such as carotid endarterectomy, thoracic surgeries, paediatric population and has shown promising results. There is however, limited data supporting its role in neurosurgical population. We strongly feel, it might play a key role in future. It has significant advantages over other neuromonitoring modalities, but more technological advances are needed before it can be used more widely into clinical practice.

  5. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1998-01-01

    This volume continues the series'' cutting-edge reviews on developments in this field. Since its invention in the 1920s, electrostatic precipitation has been extensively used in industrial hygiene to remove dust and particulate matter from gases before entering the atmosphere. This combination of electrostatic precipitation is reported upon in the first chapter. Following this, chapter two reviews recent advances in the area of chemical modification in electrothermal atomization. Chapter three consists of a review which deal with advances and uses of electrothermal atomization atomic absorption spectrometry. Flow injection atomic spectroscopy has developed rapidly in recent years and after a general introduction, various aspects of this technique are looked at in chapter four. Finally, in chapter five the use of various spectrometric techniques for the determination of mercury are described.

  6. Transit spectroscopy with GTC

    Directory of Open Access Journals (Sweden)

    Osorio M.R. Zapatero

    2013-04-01

    Full Text Available Thanks to different ground-based surveys and space missions, nowadays we have a fairly large sample of discovered extra-solar planets to study and, without a doubt, this number will increase in the future. One of the most succesful techniques that allows us to prove the physical properties and atmospheric composition of these exoplanets is transmission spectroscopy. The level of precision that is require to measure these effects provides a technical challenge that is solved by using big telescopes and stable instruments to reach low noise levels. In this article, we will discuss the use of the 10m class telescope GTC to observed planetary transits in spectroscopic mode and some of the results that we are currently obtaining.

  7. Semiconductor optoelectronic infrared spectroscopy

    CERN Document Server

    Hollingworth, A R

    2001-01-01

    level separation. This showed for the first time evidence of the phonon bottleneck in a working laser device. A new technique called time resolved optically detected cyclotron resonance, was used as a precursor to finding the carrier dynamics within a spatially confined quantum dot. By moving to the case of a spatial QD using an optically detected intraband resonance it was possible to measure the energy separation interband levels and conduction and valence sublevels within the dot simultaneously. Furthermore this technique has been shown that the inhomogeneous broadening of the photoluminescence spectrum is not purely affected by just size and composition. We suggest that other processes such as state occupancy, In roughing, and exciton binding energies may account for the extra energy. We use spectroscopy to study infrared optoelectronic inter and intraband semiconductor carrier dynamics. The overall aim of this thesis was to study both III-V and Pb chalcogenide material systems in order to show their futu...

  8. Astronomical Spectroscopy for Amateurs

    CERN Document Server

    Harrison, Ken M

    2011-01-01

    Astronomical Spectroscopy for Amateurs is a complete guide for amateur astronomers who are looking for a new challenge beyond astrophotography. The book provides a brief overview of the history and development of the spectroscope, then a short introduction to the theory of stellar spectra, including details on the necessary reference spectra required for instrument testing and spectral comparison. The various types of spectroscopes available to the amateur are then described. Later sections cover all aspects of setting up and using various types of commercially available and home-built spectroscopes, starting with basic transmission gratings and going through more complex models, all the way to the sophisticated Littrow design. The final part of the text is about practical spectroscope design and construction. This book uniquely brings together a collection of observing, analyzing, and processing hints and tips that will allow the amateur to build skills in preparing scientifically acceptable spectra data. It...

  9. Pulsed Laser Spectroscopy: An Inexpensive Approach

    Science.gov (United States)

    Daly, J. G.; Hastings, R.; Schmidt, J. A.

    1982-10-01

    The assembly of a pulsed laser spectroscopy laboratory is presented. The authors describe how they constructed pulsed lasers, fast photodetectors, a boxcar signal averager, and associated equipment. A molecular nitrogen laser operating up to 50 Hz with an ultraviolet (337.1 nm) 700 kW pulse was used to optically pump an organic dye laser. The resulting output could be tuned from 360.0 to 680.0 nm. This pulse was typically 30 kW and 8 nsec, which makes it ideally suited to selective excitation and fluorescence studies. By constructing this equipment, it is estimated that the investment was one-tenth the cost of commercial components.

  10. Hadron Spectroscopy in Double Pomeron Exchange Experiments

    Energy Technology Data Exchange (ETDEWEB)

    Albrow, Michael [Fermilab

    2016-11-15

    Central exclusive production in hadron-hadron collisions at high energies, for example p + p -> p + X + p, where the "+" represents a large rapidity gap, is a valuable process for spectroscopy of mesonic states X. At collider energies the gaps can be large enough to be dominated by pomeron exchange, and then the quantum numbers of the state X are restricted. Isoscalar JPC = 0++ and 2++ mesons are selected, and our understanding of these spectra is incomplete. In particular, soft pomeron exchanges favor gluon-dominated states such as glueballs, which are expected in QCD but not yet well established. I will review some published data.

  11. High-resolution flurescence spectroscopy in immunoanalysis

    Energy Technology Data Exchange (ETDEWEB)

    Grubor, Nenad M. [Iowa State Univ., Ames, IA (United States)

    2005-01-01

    The work presented in this dissertation combines highly sensitive and selective fluorescence line-narrowing spectroscopy (FLNS) detection with various modes of immunoanalytical techniques. It has been shown that FLNS is capable of directly probing molecules immunocomplexed with antibodies, eliminating analytical ambiguities that may arise from interferences that accompany traditional immunochemical techniques. Moreover, the utilization of highly cross-reactive antibodies for highly specific analyte determination has been demonstrated. Finally, they demonstrate the first example of the spectral resolution of diastereomeric analytes based on their interaction with a cross-reactive antibody.

  12. Hadron spectroscopy in double pomeron exchange experiments

    Science.gov (United States)

    Albrow, Michael G.

    2017-03-01

    Central exclusive production in hadron-hadron collisions at high energies, for example p + p → p + X + p, where the + represents a large rapidity gap, is a valuable process for spectroscopy of mesonic states X. At collider energies the gaps can be large enough to be dominated by pomeron exchange, and then the quantum numbers of the state X are restricted. Isoscalar JPC = 0++ and 2++ mesons are selected, and our understanding of these spectra is incomplete. In particular, soft pomeron exchanges favor gluon-dominated states such as glueballs, which are expected in QCD but not yet well established. I will review some published data.

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

    Science.gov (United States)

    2015-06-01

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

  14. Perspective: Two-dimensional resonance Raman spectroscopy

    Science.gov (United States)

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

    2016-11-01

    Two-dimensional resonance Raman (2DRR) spectroscopy has been developed for studies of photochemical reaction mechanisms and structural heterogeneity in complex systems. The 2DRR method can leverage electronic resonance enhancement to selectively probe chromophores embedded in complex environments (e.g., a cofactor in a protein). In addition, correlations between the two dimensions of the 2DRR spectrum reveal information that is not available in traditional Raman techniques. For example, distributions of reactant and product geometries can be correlated in systems that undergo chemical reactions on the femtosecond time scale. Structural heterogeneity in an ensemble may also be reflected in the 2D spectroscopic line shapes of both reactive and non-reactive systems. In this perspective article, these capabilities of 2DRR spectroscopy are discussed in the context of recent applications to the photodissociation reactions of triiodide and myoglobin. We also address key differences between the signal generation mechanisms for 2DRR and off-resonant 2D Raman spectroscopies. Most notably, it has been shown that these two techniques are subject to a tradeoff between sensitivity to anharmonicity and susceptibility to artifacts. Overall, recent experimental developments and applications of the 2DRR method suggest great potential for the future of the technique.

  15. 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.

  16. Spectroscopy, Understanding the Atom Series.

    Science.gov (United States)

    Hellman, Hal

    This booklet is one of the "Understanding the Atom" Series. The science of spectroscopy is presented by a number of topics dealing with (1) the uses of spectroscopy, (2) its origin and background, (3) the basic optical systems of spectroscopes, spectrometers, and spectrophotometers, (4) the characteristics of wave motion, (5) the…

  17. Diffusion measurements by Raman spectroscopy

    DEFF Research Database (Denmark)

    Hansen, Susanne Brunsgaard; Shapiro, Alexander; Berg, Rolf W.

    Poster "Diffusion measurements by Raman spectroscopy", See poster at http://www.kemi.dtu.dk/~ajo/rolf/petroday2004.ppt......Poster "Diffusion measurements by Raman spectroscopy", See poster at http://www.kemi.dtu.dk/~ajo/rolf/petroday2004.ppt...

  18. The light meson spectroscopy program

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Elton S. [JLAB

    2014-06-01

    Recent discoveries of a number of unexpected new charmomium-like meson states at the BaBar and Belle B-factories have demonstrated how little is still known about meson spectroscopy. In this talk we will review recent highlights of the light quark spectroscopy from collider and fixed target experiments.

  19. Operando fuel cell spectroscopy

    Science.gov (United States)

    Kendrick, Ian Michael

    The active state of a catalyst only exists during catalysis (1) provided the motivation for developing operando spectroscopic techniques. A polymer electrolyte membrane fuel cell (PEMFC) was designed to interface with commercially available instruments for acquisition of infrared spectra of the catalytic surface of the membrane electrode assembly (MEA) during normal operation. This technique has provided insight of the complex processes occurring at the electrode surface. Nafion, the solid electrolyte used in most modern-day polymer electrolyte membrane fuel cells (PEMFC), serves many purposes in fuel cell operation. However, there is little known of the interface between Nafion and the electrode surface. Previous studies of complex Stark tuning curves of carbon monoxide on the surface of a platinum electrode were attributed the co-adsorption of bisulfite ions originating from the 0.5M H2SO4 electrolyte used in the study(2). Similar tuning curves obtained on a fuel cell MEA despite the absence of supplemental electrolytes suggest the adsorption of Nafion onto platinum (3). The correlation of spectra obtained using attenuated total reflectance spectroscopy (ATR) and polarization modulated IR reflection-absorption spectroscopy (PM-IRRAS) to a theoretical spectrum generated using density functional theory (DFT) lead to development of a model of Nafion and platinum interaction which identified participation of the SO3- and CF3 groups in Nafion adsorption. The use of ethanol as a fuel stream in proton exchange membrane fuel cells provides a promising alternative to methanol. Relative to methanol, ethanol has a greater energy density, lower toxicity and can be made from the fermentation of biomass(4). Operando IR spectroscopy was used to study the oxidation pathway of ethanol and Stark tuning behavior of carbon monoxide on Pt, Ru, and PtRu electrodes. Potential dependent products such as acetaldehyde, acetic acid and carbon monoxide are identified as well as previously

  20. Exoplanet transit spectroscopy using WFC3: WASP-12 b, WASP-17 b, and WASP-19 b

    Energy Technology Data Exchange (ETDEWEB)

    Mandell, Avi M.; Haynes, Korey [Solar System Exploration Division, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Sinukoff, Evan [Institute for Astronomy, University of Hawaii, Honolulu, HI 96822 (United States); Madhusudhan, Nikku [Yale Center for Astronomy and Astrophysics, Yale University, New Haven, CT 06511 (United States); Burrows, Adam [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); Deming, Drake, E-mail: Avi.Mandell@nasa.gov [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States)

    2013-12-20

    We report an analysis of transit spectroscopy of the extrasolar planets WASP-12 b, WASP-17 b, and WASP-19 b using the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST). We analyze the data for a single transit for each planet using a strategy similar, in certain aspects, to the techniques used by Berta et al., but we extend their methodology to allow us to correct for channel- or wavelength-dependent instrumental effects by utilizing the band-integrated time series and measurements of the drift of the spectrum on the detector over time. We achieve almost photon-limited results for individual spectral bins, but the uncertainties in the transit depth for the band-integrated data are exacerbated by the uneven sampling of the light curve imposed by the orbital phasing of HST's observations. Our final transit spectra for all three objects are consistent with the presence of a broad absorption feature at 1.4 μm most likely due to water. However, the amplitude of the absorption is less than that expected based on previous observations with Spitzer, possibly due to hazes absorbing in the NIR or non-solar compositions. The degeneracy of models with different compositions and temperature structures combined with the low amplitude of any features in the data preclude our ability to place unambiguous constraints on the atmospheric composition without additional observations with WFC3 to improve the signal-to-noise ratio and/or a comprehensive multi-wavelength analysis.

  1. Ultrabroadband 2D electronic spectroscopy with high-speed, shot-to-shot detection.

    Science.gov (United States)

    Son, Minjung; Mosquera-Vázquez, Sandra; Schlau-Cohen, Gabriela S

    2017-08-07

    Two-dimensional electronic spectroscopy (2DES) is an incisive tool for disentangling excited state energies and dynamics in the condensed phase by directly mapping out the correlation between excitation and emission frequencies as a function of time. Despite its enhanced frequency resolution, the spectral window of detection is limited to the laser bandwidth, which has often hindered the visualization of full electronic energy relaxation pathways spread over the entire visible region. Here, we describe a high-sensitivity, ultrabroadband 2DES apparatus. We report a new combination of a simple and robust setup for increased spectral bandwidth and shot-to-shot detection. We utilize 8-fs supercontinuum pulses generated by gas filamentation spanning the entire visible region (450 - 800 nm), which allows for a simultaneous interrogation of electronic transitions over a 200-nm bandwidth, and an all-reflective interferometric delay system with angled nanopositioner stages achieves interferometric precision in coherence time control without introducing wavelength-dependent dispersion to the ultrabroadband spectrum. To address deterioration of detection sensitivity due to the inherent instability of ultrabroadband sources, we introduce a 5-kHz shot-to-shot, dual chopping acquisition scheme by combining a high-speed line-scan camera and two optical choppers to remove scatter contributions from the signal. Comparison of 2D spectra acquired by shot-to-shot detection and averaged detection shows a 15-fold improvement in the signal-to-noise ratio. This is the first direct quantification of detection sensitivity on a filamentation-based ultrabroadband 2DES apparatus.

  2. Exoplanet Transit Spectroscopy Using WFC3: WASP-12b, WASP-17b, and WASP-19b

    Science.gov (United States)

    Mandell, Avi M.; Haynes, Korey; Sinukoff, Evan; Madhusudhan, Nikku; Burrows, Adam; Deming, Drake

    2013-01-01

    We report an analysis of transit spectroscopy of the extrasolar planets WASP-12 b, WASP-17 b, and WASP-19 b using the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST). We analyze the data for a single transit for each planet using a strategy similar, in certain aspects, to the techniques used by Berta et al., but we extend their methodology to allow us to correct for channel- or wavelength-dependent instrumental effects by utilizing the band-integrated time series and measurements of the drift of the spectrum on the detector over time. We achieve almost photon-limited results for individual spectral bins, but the uncertainties in the transit depth for the band-integrated data are exacerbated by the uneven sampling of the light curve imposed by the orbital phasing of HST's observations. Our final transit spectra for all three objects are consistent with the presence of a broad absorption feature at 1.4 microns most likely due to water. However, the amplitude of the absorption is less than that expected based on previous observations with Spitzer, possibly due to hazes absorbing in the NIR or non-solar compositions. The degeneracy of models with different compositions and temperature structures combined with the low amplitude of any features in the data preclude our ability to place unambiguous constraints on the atmospheric composition without additional observations with WFC3 to improve the signal-to-noise ratio and/or a comprehensive multi-wavelength analysis. Key words: planetary systems - techniques: photometric - techniques: spectroscopic

  3. Relic Neutrino Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Eberle, b

    2004-01-28

    Resonant annihilation of extremely high-energy cosmic neutrinos on big-bang relic anti-neutrinos (and vice versa) into Z-bosons leads to sizable absorption dips in the neutrino flux to be observed at Earth. The high-energy edges of these dips are fixed, via the resonance energies, by the neutrino masses alone. Their depths are determined by the cosmic neutrino background density, by the cosmological parameters determining the expansion rate of the universe, and by the large redshift history of the cosmic neutrino sources. We investigate the possibility of determining the existence of the cosmic neutrino background within the next decade from a measurement of these absorption dips in the neutrino flux. As a by-product, we study the prospects to infer the absolute neutrino mass scale. We find that, with the presently planned neutrino detectors (ANITA, Auger, EUSO, OWL, RICE, and SalSA) operating in the relevant energy regime above 10{sup 21} eV, relic neutrino absorption spectroscopy becomes a realistic possibility. It requires, however, the existence of extremely powerful neutrino sources, which should be opaque to nucleons and high-energy photons to evade present constraints. Furthermore, the neutrino mass spectrum must be quasi-degenerate to optimize the dip, which implies m{sub {nu}} 0.1 eV for the lightest neutrino. With a second generation of neutrino detectors, these demanding requirements can be relaxed considerably.

  4. Meson Spectroscopy at COMPASS

    CERN Document Server

    Grube, Boris

    2015-01-01

    The COmmon Muon and Proton Apparatus for Structure and Spectroscopy (COMPASS) is a multi-purpose fixed-target experiment at the CERN Super Proton Synchrotron (SPS) aimed at studying the structure and spectrum of hadrons. The two-stage spectrometer has a good acceptance for charged as well as neutral particles over a wide kinematic range and thus allows to access a wide range of reactions. Light mesons are studied with negative (mostly $\\pi^-$) and positive ($p$, $\\pi^+$) hadron beams with a momentum of 190 GeV/$c$. The spectrum of light mesons is investigated in various final states produced in diffractive dissociation reactions at squared four-momentum transfers to the target between 0.1 and 1.0 $(\\text{GeV}/c)^2$. The flagship channel is the $\\pi^-\\pi^+\\pi^-$ final state, for which COMPASS has recorded the currently largest data sample. These data not only allow to measure the properties of known resonances with high precision, but also to search for new states. Among these is a new resonance-like signal, t...

  5. Resonance Raman spectroscopy.

    Science.gov (United States)

    Li, Jiang; Kitagawa, Teizo

    2014-01-01

    Flavin is a general name given to molecules having the heteroaromatic ring system of 7,8-dimethylisoalloxazine but practically means riboflavin (Rfl), flavin adenine dinucleotide (FAD), and flavin mononucleotide (FMN) in biological systems, whose structures are illustrated in Fig. 1, together with the atomic numbering scheme and ring numbering of the isoalloxazine moiety. As the isoalloxazine skeleton cannot be synthesized in human cells, it is obtained from diet as Rfl (vitamin B2). FAD and FMN can act as cofactors in flavoenzymes but Rfl does not. Most flavoenzymes catalyze redox reactions of substrates (Miura, Chem Rec 1:183-194, 2001). When O2 serves as the oxidant in the oxidation half cycle of an enzymic reaction, the enzyme is called "flavo-oxidase" but when others do, the enzyme is called "flavo-dehydrogenase." The difference between the two types of oxidative catalysis arises from delicate differences in the π-electron distributions in the isoalloxazine ring, which can be revealed by Raman spectroscopy (Miura, Chem Rec 1:183-194, 2001). Since a flavin is an extremely versatile molecule, the scientific field including chemistry, biochemistry, and enzymology is collectively called "flavonology." It was found recently, however, that the flavin also acts as a chromophore to initiate light-induced DNA repair and signal transductions (Sancar, Chem Rev 103:2203-2237, 2003).

  6. Meson spectroscopy at COMPASS

    Directory of Open Access Journals (Sweden)

    Grube Boris

    2016-01-01

    Full Text Available The goal of the COMPASS experiment at CERN is to study the structure and dynamics of hadrons. The two-stage spectrometer used by the experiment has large acceptance and covers a wide kinematic range for charged as well as neutral particles and can therefore measure a wide range of reactions. The spectroscopy of light mesons is performed with negative (mostly π− and positive (p, π+ hadron beams with a momentum of 190 GeV/c. The light-meson spectrum is measured in different final states produced in diffractive dissociation reactions with squared four-momentum transfer t to the target between 0.1 and 1.0 (GeV=c2. The flagship channel is the π−π−π+ final state, for which COMPASS has recorded the currently world’s largest data sample. These data not only allow to measure the properties of known resonances with high precision, but also to observe new states. Among these is a new axial-vector signal, the a1(1420, with unusual properties. Novel analysis techniques have been developed to extract also the amplitude of the π−π+ subsystem as a function of 3π mass from the data. The findings are confirmed by the analysis of the π−π0π0 final state.

  7. Meson Spectroscopy at COMPASS

    CERN Document Server

    Grube, Boris

    2016-11-29

    The goal of the COMPASS experiment at CERN is to study the structure and dynamics of hadrons. The two-stage spectrometer used by the experiment has large acceptance and covers a wide kinematic range for charged as well as neutral particles and can therefore measure a wide range of reactions. The spectroscopy of light mesons is performed with negative (mostly $\\pi^-$) and positive ($p$, $\\pi^+$) hadron beams with a momentum of 190 GeV/$c$. The light-meson spectrum is measured in different final states produced in diffractive dissociation reactions with squared four-momentum transfer $t$ to the target between 0.1 and 1.0 $(\\text{GeV}/c)^2$. The flagship channel is the $\\pi^-\\pi^-\\pi^+$ final state, for which COMPASS has recorded the currently world's largest data sample. These data not only allow to measure the properties of known resonances with high precision, but also to observe new states. Among these is a new axial-vector signal, the $a_1(1420)$, with unusual properties. Novel analysis techniques have been...

  8. Broadband transmission EPR spectroscopy.

    Directory of Open Access Journals (Sweden)

    Wilfred R Hagen

    Full Text Available EPR spectroscopy employs a resonator operating at a single microwave frequency and phase-sensitive detection using modulation of the magnetic field. The X-band spectrometer is the general standard with a frequency in the 9-10 GHz range. Most (biomolecular EPR spectra are determined by a combination of the frequency-dependent electronic Zeeman interaction and a number of frequency-independent interactions, notably, electron spin - nuclear spin interactions and electron spin - electron spin interactions, and unambiguous analysis requires data collection at different frequencies. Extant and long-standing practice is to use a different spectrometer for each frequency. We explore the alternative of replacing the narrow-band source plus single-mode resonator with a continuously tunable microwave source plus a non-resonant coaxial transmission cell in an unmodulated external field. Our source is an arbitrary wave digital signal generator producing an amplitude-modulated sinusoidal microwave in combination with a broadband amplifier for 0.8-2.7 GHz. Theory is developed for coaxial transmission with EPR detection as a function of cell dimensions and materials. We explore examples of a doublet system, a high-spin system, and an integer-spin system. Long, straigth, helical, and helico-toroidal cells are developed and tested with dilute aqueous solutions of spin label hydroxy-tempo. A detection limit of circa 5 µM HO-tempo in water at 800 MHz is obtained for the present setup, and possibilities for future improvement are discussed.

  9. Variable angle correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Young Kyo [Univ. of California, Berkeley, CA (United States)

    1994-05-01

    In this dissertation, a novel nuclear magnetic resonance (NMR) technique, variable angle correlation spectroscopy (VACSY) is described and demonstrated with 13C nuclei in rapidly rotating samples. These experiments focus on one of the basic problems in solid state NMR: how to extract the wealth of information contained in the anisotropic component of the NMR signal while still maintaining spectral resolution. Analysis of the anisotropic spectral patterns from poly-crystalline systems reveal information concerning molecular structure and dynamics, yet in all but the simplest of systems, the overlap of spectral patterns from chemically distinct sites renders the spectral analysis difficult if not impossible. One solution to this problem is to perform multi-dimensional experiments where the high-resolution, isotropic spectrum in one dimension is correlated with the anisotropic spectral patterns in the other dimensions. The VACSY technique incorporates the angle between the spinner axis and the static magnetic field as an experimental parameter that may be incremented during the course of the experiment to help correlate the isotropic and anisotropic components of the spectrum. The two-dimensional version of the VACSY experiments is used to extract the chemical shift anisotropy tensor values from multi-site organic molecules, study molecular dynamics in the intermediate time regime, and to examine the ordering properties of partially oriented samples. The VACSY technique is then extended to three-dimensional experiments to study slow molecular reorientations in a multi-site polymer system.

  10. Historical survey of resonance ionization spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hurst, G.S.

    1984-04-01

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

  11. Reaction Selectivity in Heterogeneous Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Somorjai, Gabor A.; Kliewer, Christopher J.

    2009-02-02

    The understanding of selectivity in heterogeneous catalysis is of paramount importance to our society today. In this review we outline the current state of the art in research on selectivity in heterogeneous catalysis. Current in-situ surface science techniques have revealed several important features of catalytic selectivity. Sum frequency generation vibrational spectroscopy has shown us the importance of understanding the reaction intermediates and mechanism of a heterogeneous reaction, and can readily yield information as to the effect of temperature, pressure, catalyst geometry, surface promoters, and catalyst composition on the reaction mechanism. DFT calculations are quickly approaching the ability to assist in the interpretation of observed surface spectra, thereby making surface spectroscopy an even more powerful tool. HP-STM has revealed three vitally important parameters in heterogeneous selectivity: adsorbate mobility, catalyst mobility, and selective site-blocking. The development of size controlled nanoparticles from 0.8 to 10 nm, of controlled shape, and of controlled bimetallic composition has revealed several important variables for catalytic selectivity. Lastly, DFT calculations may be paving the way to guiding the composition choice for multi-metallic heterogeneous catalysis for the intelligent design of catalysts incorporating the many factors of selectivity we have learned.

  12. Subset selection in regression

    CERN Document Server

    Miller, Alan

    2002-01-01

    Originally published in 1990, the first edition of Subset Selection in Regression filled a significant gap in the literature, and its critical and popular success has continued for more than a decade. Thoroughly revised to reflect progress in theory, methods, and computing power, the second edition promises to continue that tradition. The author has thoroughly updated each chapter, incorporated new material on recent developments, and included more examples and references. New in the Second Edition:A separate chapter on Bayesian methodsComplete revision of the chapter on estimationA major example from the field of near infrared spectroscopyMore emphasis on cross-validationGreater focus on bootstrappingStochastic algorithms for finding good subsets from large numbers of predictors when an exhaustive search is not feasible Software available on the Internet for implementing many of the algorithms presentedMore examplesSubset Selection in Regression, Second Edition remains dedicated to the techniques for fitting...

  13. Electrochemical Impedance Spectroscopy (EIS) Characterization of Reformate-operated High Temperature PEM Fuel Cell Stack

    DEFF Research Database (Denmark)

    Sahlin, Simon Lennart; Simon Araya, Samuel; Andreasen, Søren Juhl

    2017-01-01

    This paper presents an experimental characterization of a high temperature protonexchange membrane fuel cell (HT-PEMFC) short stack carried out by means of impedance spectroscopy. Selected operating parameters; temperature, stoichiometry and reactant compositions were varied to investigate...

  14. Cavity-Enhanced Absorption Spectroscopy and Photoacoustic Spectroscopy for Human Breath Analysis

    Science.gov (United States)

    Wojtas, J.; Tittel, F. K.; Stacewicz, T.; Bielecki, Z.; Lewicki, R.; Mikolajczyk, J.; Nowakowski, M.; Szabra, D.; Stefanski, P.; Tarka, J.

    2014-12-01

    This paper describes two different optoelectronic detection techniques: cavity-enhanced absorption spectroscopy and photoacoustic spectroscopy. These techniques are designed to perform a sensitive analysis of trace gas species in exhaled human breath for medical applications. With such systems, the detection of pathogenic changes at the molecular level can be achieved. The presence of certain gases (biomarkers), at increased concentration levels, indicates numerous human diseases. Diagnosis of a disease in its early stage would significantly increase chances for effective therapy. Non-invasive, real-time measurements, and high sensitivity and selectivity, capable of minimum discomfort for patients, are the main advantages of human breath analysis. At present, monitoring of volatile biomarkers in breath is commonly useful for diagnostic screening, treatment for specific conditions, therapy monitoring, control of exogenous gases (such as bacterial and poisonous emissions), as well as for analysis of metabolic gases.

  15. The GTC exoplanet transit spectroscopy survey. VIII. Flat transmission spectrum for the warm gas giant WASP-80b

    Science.gov (United States)

    Parviainen, H.; Pallé, E.; Chen, G.; Nortmann, L.; Murgas, F.; Nowak, G.; Aigrain, S.; Booth, A.; Abazorius, M.; Iro, N.

    2018-01-01

    Aims: We set out to study the atmosphere of WASP-80b, a warm inflated gas giant with an equilibrium temperature of 800 K, using ground-based transmission spectroscopy covering the spectral range from 520 to 910 nm. The observations allow us to probe the existence and abundance of K and Na in WASP-80b's atmosphere, existence of high-altitude clouds, and Rayleigh-scattering in the blue end of the spectrum. Methods: We observed two spectroscopic time series of WASP-80b transits with the OSIRIS spectrograph installed in the Gran Telescopio Canarias (GTC), and use the observations to estimate the planet's transmission spectrum between 520 nm and 910 nm in 20 nm-wide passbands, and around the K I and Na I resonance doublets in 6 nm-wide passbands. We jointly model three previously published broadband datasets consisting of 27 light curves, prior to a transmission spectroscopy analysis in order to obtain improved estimates of the planet's orbital parameters, average radius ratio, and stellar density. The parameter posteriors from the broadband analysis are used to set informative priors on the transmission spectroscopy analysis. The final transmission spectroscopy analyses are carried out jointly for the two nights using a divide-by-white approach to remove the common-mode systematics, and Gaussian processes to model the residual wavelength-dependent systematics. Results: We recover a flat transmission spectrum with no evidence of Rayleigh scattering or K I or Na I absorption, and obtain an improved system characterisation as a by-product of the broadband- and GTC-dataset modelling. The transmission spectra estimated separately from the two observing runs are consistent with each other, as are the transmission spectra estimated using either a parametric or nonparametric systematics model. The flat transmission spectrum favours an atmosphere model with high-altitude clouds over cloud-free models with stellar or sub-stellar metallicities. Conclusions: Our results disagree

  16. Combination of laser-induced breakdown spectroscopy and Raman spectroscopy for multivariate classification of bacteria

    Science.gov (United States)

    Prochazka, D.; Mazura, M.; Samek, O.; Rebrošová, K.; Pořízka, P.; Klus, J.; Prochazková, P.; Novotný, J.; Novotný, K.; Kaiser, J.

    2018-01-01

    In this work, we investigate the impact of data provided by complementary laser-based spectroscopic methods on multivariate classification accuracy. Discrimination and classification of five Staphylococcus bacterial strains and one strain of Escherichia coli is presented. The technique that we used for measurements is a combination of Raman spectroscopy and Laser-Induced Breakdown Spectroscopy (LIBS). Obtained spectroscopic data were then processed using Multivariate Data Analysis algorithms. Principal Components Analysis (PCA) was selected as the most suitable technique for visualization of bacterial strains data. To classify the bacterial strains, we used Neural Networks, namely a supervised version of Kohonen's self-organizing maps (SOM). We were processing results in three different ways - separately from LIBS measurements, from Raman measurements, and we also merged data from both mentioned methods. The three types of results were then compared. By applying the PCA to Raman spectroscopy data, we observed that two bacterial strains were fully distinguished from the rest of the data set. In the case of LIBS data, three bacterial strains were fully discriminated. Using a combination of data from both methods, we achieved the complete discrimination of all bacterial strains. All the data were classified with a high success rate using SOM algorithm. The most accurate classification was obtained using a combination of data from both techniques. The classification accuracy varied, depending on specific samples and techniques. As for LIBS, the classification accuracy ranged from 45% to 100%, as for Raman Spectroscopy from 50% to 100% and in case of merged data, all samples were classified correctly. Based on the results of the experiments presented in this work, we can assume that the combination of Raman spectroscopy and LIBS significantly enhances discrimination and classification accuracy of bacterial species and strains. The reason is the complementarity in

  17. Direct angle resolved photoemission spectroscopy and ...

    Indian Academy of Sciences (India)

    Keywords. Condensed matter physics; high-c superconductivity; electronic properties; photoemission spectroscopy; angle resolved photoemission spectroscopy; cuprates; films; strain; pulsed laser deposition.

  18. Solar neutrino spectroscopy

    Science.gov (United States)

    Wurm, Michael

    2017-04-01

    More than forty years after the first detection of neutrinos from the Sun, the spectroscopy of solar neutrinos has proven to be an on-going success story. The long-standing puzzle about the observed solar neutrino deficit has been resolved by the discovery of neutrino flavor oscillations. Today's experiments have been able to solidify the standard MSW-LMA oscillation scenario by performing precise measurements over the whole energy range of the solar neutrino spectrum. This article reviews the enabling experimental technologies: On the one hand multi-kiloton-scale water Cherenkov detectors performing measurements in the high-energy regime of the spectrum, on the other end ultrapure liquid-scintillator detectors that allow for a low-threshold analysis. The current experimental results on the fluxes, spectra and time variation of the different components of the solar neutrino spectrum will be presented, setting them in the context of both neutrino oscillation physics and the hydrogen fusion processes embedded in the Standard Solar Model. Finally, the physics potential of state-of-the-art detectors and a next generation of experiments based on novel techniques will be assessed in the context of the most interesting open questions in solar neutrino physics: a precise measurement of the vacuum-matter transition curve of electron-neutrino oscillation probability that offers a definitive test of the basic MSW-LMA scenario or the appearance of new physics; and a first detection of neutrinos from the CNO cycle that will provide new information on solar metallicity and stellar physics.

  19. Broadband Transmission EPR Spectroscopy

    Science.gov (United States)

    Hagen, Wilfred R.

    2013-01-01

    EPR spectroscopy employs a resonator operating at a single microwave frequency and phase-sensitive detection using modulation of the magnetic field. The X-band spectrometer is the general standard with a frequency in the 9–10 GHz range. Most (bio)molecular EPR spectra are determined by a combination of the frequency-dependent electronic Zeeman interaction and a number of frequency-independent interactions, notably, electron spin – nuclear spin interactions and electron spin – electron spin interactions, and unambiguous analysis requires data collection at different frequencies. Extant and long-standing practice is to use a different spectrometer for each frequency. We explore the alternative of replacing the narrow-band source plus single-mode resonator with a continuously tunable microwave source plus a non-resonant coaxial transmission cell in an unmodulated external field. Our source is an arbitrary wave digital signal generator producing an amplitude-modulated sinusoidal microwave in combination with a broadband amplifier for 0.8–2.7 GHz. Theory is developed for coaxial transmission with EPR detection as a function of cell dimensions and materials. We explore examples of a doublet system, a high-spin system, and an integer-spin system. Long, straigth, helical, and helico-toroidal cells are developed and tested with dilute aqueous solutions of spin label hydroxy-tempo. A detection limit of circa 5 µM HO-tempo in water at 800 MHz is obtained for the present setup, and possibilities for future improvement are discussed. PMID:23555819

  20. Handbook of Molecular Force Spectroscopy

    CERN Document Server

    Noy, Aleksandr

    2008-01-01

    "...Noy's Handbook of Molecular Force Spectroscopy is both a timely and useful summary of fundamental aspects of molecular force spectroscopy, and I believe it would make a worthwhile addition to any good scientific library. New research groups that are entering this field would be well advisedto study this handbook in detail before venturing into the exciting and challenging world of molecular force spectroscopy." Matthew F. Paige, University of Saskatchewan, Journal of the American Chemical Society Modern materials science and biophysics are increasingly focused on studying and controlling intermolecular interactions on the single-molecule level. Molecular force spectroscopy was developed in the past decade as the result of several unprecedented advances in the capabilities of modern scientific instrumentation, and defines a number of techniques that use mechanical force measurements to study interactions between single molecules and molecular assemblies in chemical and biological systems. Examples of these...

  1. Fluorescence spectroscopy in polymer science

    NARCIS (Netherlands)

    Raja, T.N.; Brouwer, A.M.; Demchenko, A.P.

    2011-01-01

    Polymer science is an interdisciplinary field, combining chemistry, physics, and in some cases biology. Structure, morphology, and dynamical phenomena in natural and synthetic polymers can be addressed using fluorescence spectroscopy. The most attractive aspect of fluorescent reporters is that their

  2. Spectroscopy: Mapping spins in flatland

    Science.gov (United States)

    Aharonovich, Igor; Jelezko, Fedor

    2017-04-01

    Nuclear quadrupole resonance spectroscopy is used to map the properties of atomically thin hexagonal boron nitride, with the help of the nitrogen-vacancy colour centres engineered in a diamond layer placed under the 2D material.

  3. High Resolution-Resonance Ionization Spectroscopy on uranium

    Energy Technology Data Exchange (ETDEWEB)

    Hakimi, Amin, E-mail: hakimi@uni-mainz.de; Fischbach, Thomas [Johannes Gutenberg-Universitaet Mainz, Institut fuer Physik (Germany); Raeder, Sebastian [TRIUMF (Canada); Trautmann, Norbert [Johannes Gutenberg-Universitaet Mainz, Institut fuer Kernchemie (Germany); Wendt, Klaus [Johannes Gutenberg-Universitaet Mainz, Institut fuer Physik (Germany)

    2013-04-15

    High Resolution-Resonance Ionization Spectroscopy (HR-RIS) allows for sensitive probing of atomic structures and energy level schemes even for highly complex systems. This work explores the applicability of commercial diode lasers for isotope selective spectroscopy of uranium. Using narrow bandwidth continuous-wave (cw) diode lasers, multi step excitation processes were investigated involving levels which could be populated with the radiation of 405 nm BluRay{sup Copyright-Sign} laser diodes as a first step for ultra trace analysis of uranium.

  4. Assessing Field Spectroscopy Metadata Quality

    Directory of Open Access Journals (Sweden)

    Barbara A. Rasaiah

    2015-04-01

    Full Text Available This paper presents the proposed criteria for measuring the quality and completeness of field spectroscopy metadata in a spectral archive. Definitions for metadata quality and completeness for field spectroscopy datasets are introduced. Unique methods for measuring quality and completeness of metadata to meet the requirements of field spectroscopy datasets are presented. Field spectroscopy metadata quality can be defined in terms of (but is not limited to logical consistency, lineage, semantic and syntactic error rates, compliance with a quality standard, quality assurance by a recognized authority, and reputational authority of the data owners/data creators. Two spectral libraries are examined as case studies of operationalized metadata policies, and the degree to which they are aligned with the needs of field spectroscopy scientists. The case studies reveal that the metadata in publicly available spectral datasets are underperforming on the quality and completeness measures. This paper is part two in a series examining the issues central to a metadata standard for field spectroscopy datasets.

  5. Elucidation of intermediates and mechanisms in heterogeneous catalysis using infrared spectroscopy.

    Science.gov (United States)

    Savara, Aditya; Weitz, Eric

    2014-01-01

    Infrared spectroscopy has a long history as a tool for the identification of chemical compounds. More recently, various implementations of infrared spectroscopy have been successfully applied to studies of heterogeneous catalytic reactions with the objective of identifying intermediates and determining catalytic reaction mechanisms. We discuss selective applications of these techniques with a focus on several heterogeneous catalytic reactions, including hydrogenation, deNOx, water-gas shift, and reverse-water-gas shift. The utility of using isotopic substitutions and other techniques in tandem with infrared spectroscopy is discussed. We comment on the modes of implementation and the advantages and disadvantages of the various infrared techniques. We also note future trends and the role of computational calculations in such studies. The infrared techniques considered are transmission Fourier transform infrared spectroscopy, infrared reflection-absorption spectroscopy, polarization-modulation infrared reflection-absorption spectroscopy, sum-frequency generation, diffuse reflectance infrared Fourier transform spectroscopy, attenuated total reflectance, infrared emission spectroscopy, photoacoustic infrared spectroscopy, and surface-enhanced infrared absorption spectroscopy.

  6. Selective Fatalism.

    OpenAIRE

    Sunstein, Cass R

    1998-01-01

    Human beings are selectively fatalistic. Some risks appear as "background noise," whereas other, quantitatively identical risks cause enormous concern. This essay explores the reasons for selective fatalism and possible legal responses. Sometimes selective fatalism is a product of distributional issues, as people focus especially on risks that face particular groups; sometimes people adapt their preferences and beliefs so as to reduce concern with risks that they perceive themselves unable to...

  7. Woodson by Ultraviolet Spectroscopy

    Directory of Open Access Journals (Sweden)

    Patrícia M. S. S. Barros

    2013-01-01

    Full Text Available For the registration of phytomedicines and their availability to the population, National Agency of Sanitary Surveillance (ANVISA establishes quality, security, and efficacy parameters, stipulating control requirements similar to those applied to synthetic medicines. This work reports the investigation of the bark of Himatanthus lancifolius and its extracts aiming to contribute to the standardization of derivatives of this plant species. The developed quantification method shows high selectivity at 281nm, which confers confidence to the detection of the alkaloids. The method is robust, according to the current regulation, and shows linearity, precision, and accuracy, beside accessibility and simplicity in execute. The pH 10 alkaloid fraction obtained from the aqueous extract of the analyzed sample represents 0.219% in the dried extract. These results contribute for reducing the lack of methods for the quality control of phytomedicines prepared from H. lancifolius.

  8. Intracavity Faraday modulation spectroscopy (INFAMOS): A tool for radical detection

    Science.gov (United States)

    Gianella, Michele; Pinto, Tomas H. P.; Wu, Xia; Ritchie, Grant A. D.

    2017-08-01

    We present the intra-cavity Faraday modulation spectroscopy technique, whereby optical feedback cavity-enhanced spectroscopy is coupled with Faraday modulation spectroscopy to greatly enhance the interaction path length of a laser beam with a paramagnetic sample in a magnetic field. We describe a first prototype based upon a cw quantum cascade laser targeting a selection of fundamental rovibrational R-branch transitions of nitric oxide (1890 cm-1), consisting of a linear cavity (finesse F =6300 ) and a water-cooled solenoid. We demonstrate a minimum detectable Verdet constant of Vmin=4.7 ×10-14 rad cm-1 G-1 H z-1/2 (at SNR = 1), corresponding to a single-pass rotation angle of 1.6 ×10-10 rad Hz-1/2 and a limit of detection of 0.21 ppbv Hz-1/2 NO.

  9. Characterization of oil-producing microalgae using Raman spectroscopy

    Science.gov (United States)

    Samek, O.; Zemánek, P.; Jonáš, A.; Telle, H. H.

    2011-10-01

    Raman spectroscopy offers a powerful alternative analytical method for the detection and identification of lipids/oil in biological samples, such as algae and fish. Recent research in the authors' groups, and experimental data only very recently published by us and a few other groups suggest that Raman spectroscopy can be exploited in instances where fast and accurate determination of the iodine value (associated with the degree of lipid unsaturation) is required. Here the current status of Raman spectroscopy applications on algae is reviewed, and particular attention is given to the efforts of identifying and selecting oil-rich algal strains for the potential mass production of commercial biofuels and for utilization in the food industry.

  10. Using Multi Resonance Effects Towards Single Conformer Microwave Spectroscopy

    Science.gov (United States)

    Abeysekera, Chamara; Hernandez-Castillo, Alicia O.; Hays, Brian M.; Zwier, Timothy S.

    2016-06-01

    The relationship between the molecular structure and rotational frequencies makes rotational spectroscopy highly structural specific and an ideal tool for complex mixture analysis. The modern developments in broadband microwave techniques have immensely reduced the data acquisition time, while creating a need for high speed data analysis procedures. A new microwave-microwave double resonance method will be introduced, to perform single conformer/isomer microwave spectroscopy in complex chemical mixtures. The method combines the selective excitation schemes possible in chirped pulse microwave spectroscopy with multi-resonance effects observed upon sweeping in the rapid adiabatic passage regime, enabling perturbations to be induced in the intensities of most of the transitions ascribable to a single molecular constituent (e.g. a conformational isomer) in a mixture. Details of the method, experimental implementation and future challenges will be discussed.

  11. Advanced techniques for actinide spectroscopy (ATAS 2012). Abstract book

    Energy Technology Data Exchange (ETDEWEB)

    Foerstendorf, Harald; Mueller, Katharina; Steudtner, Robin (eds.)

    2012-07-01

    The abstract book of the International workshop on advanced techniques for actinide spectroscopy (ATAS 2012) include contributions concerning the following issues: environmental applications, NMR spectroscopy, vibrational spectroscopy, X-ray spectroscopy and theory, technical application: separation processes, emission spectroscopy.

  12. Benchmark selection

    DEFF Research Database (Denmark)

    Hougaard, Jens Leth; Tvede, Mich

    2002-01-01

    Within a production theoretic framework, this paper considers an axiomatic approach to benchmark selection. It is shown that two simple and weak axioms; efficiency and comprehensive monotonicity characterize a natural family of benchmarks which typically becomes unique. Further axioms are added...... in order to obtain a unique selection...

  13. Time-resolved vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tokmakoff, Andrei [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Champion, Paul [Northeastern Univ., Boston, MA (United States); Heilweil, Edwin J. [National Inst. of Standards and Technology (NIST), Boulder, CO (United States); Nelson, Keith A. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Ziegler, Larry [Boston Univ., MA (United States)

    2009-05-14

    This document contains the Proceedings from the 14th International Conference on Time-Resolved Vibrational Spectroscopy, which was held in Meredith, NH from May 9-14, 2009. The study of molecular dynamics in chemical reaction and biological processes using time-resolved spectroscopy plays an important role in our understanding of energy conversion, storage, and utilization problems. Fundamental studies of chemical reactivity, molecular rearrangements, and charge transport are broadly supported by the DOE's Office of Science because of their role in the development of alternative energy sources, the understanding of biological energy conversion processes, the efficient utilization of existing energy resources, and the mitigation of reactive intermediates in radiation chemistry. In addition, time-resolved spectroscopy is central to all fiveof DOE's grand challenges for fundamental energy science. The Time-Resolved Vibrational Spectroscopy conference is organized biennially to bring the leaders in this field from around the globe together with young scientists to discuss the most recent scientific and technological advances. The latest technology in ultrafast infrared, Raman, and terahertz spectroscopy and the scientific advances that these methods enable were covered. Particular emphasis was placed on new experimental methods used to probe molecular dynamics in liquids, solids, interfaces, nanostructured materials, and biomolecules.

  14. UV Spectroscopy of Lucy Mission Targets

    Science.gov (United States)

    Thomas, Cristina

    2017-08-01

    The Trojan asteroids are a significant population of primitive bodies trapped in Jupiter's stable L4 and L5 Lagrange regions. Their physical properties and existence in these particular orbits constrain the chemical and dynamical processes in our early Solar System. NASA's recently selected Lucy mission will perform the first reconnaissance of these asteroids and will answer many fundamental questions about the population. The compositions of the Trojans are not well understood. Spectroscopy and spectrophotometry in visible and near-infrared wavelengths show red slopes (spectra with reflectivity increasing towards the long wavelength end of the spectrum) and no diagnostic spectral absorption features. However, past spectral and photometric observations suggest there are unobserved features in ultraviolet wavelengths. We propose to obtain ultraviolet spectroscopy with WFC3 of four Trojan asteroids that are targets of the Lucy mission. Lucy will not have the capability to obtain ultraviolet spectra. The proposed observations can only be made using Hubble. We will determine if there are UV spectral features, as suggested by visible wavelength observations, and connect these features to candidate compositional components. These observations will enable connections between the compositions of Trojans and dynamical models of the early Solar System.

  15. SERS-Active Nanoinjector for Intracellular Spectroscopy

    Science.gov (United States)

    Vitol, Elina; Orynbayeva, Zulfiya; Bouchard, Michael; Azizkhan-Clifford, Jane; Friedman, Gary; Gogotsi, Yury

    2009-03-01

    We developed a multifunctional nanopipette which allows simultaneous cell injection and intacellular surface-enhanced Raman spectroscopy (SERS) analysis. SERS spectra contain the characteristic frequencies of molecular bond vibrations. This is a unique method for studying cell biochemistry and physiology on a single organelle level. Unlike the fluorescence spectroscopy, it does not require any specific staining. The principle of SERS is based on very large electromagnetic field enhancement localized around a nano-rough metallic surface. Gold colloids are widely used SERS substrates. Previously, the colloidal nanoparticles were introduced into a cell by the mechanism of endocytosis. The disadvantage of this method is the uncontrollable aggregation and distribution of gold nanoparticles inside a cell which causes a significant uncertainty in the origin of the acquired data. At the same time, the nanoparticle uptake is irreversible. We present a SERS-active nanoinjector, coated with gold nanoparticles, which enables selective signal acquisition from any point-of-interest inside a cell. The nanoinjector provides a highly localized SERS signal with sub-nanometer resolution in real time.

  16. Force spectroscopy in studying infection

    CERN Document Server

    Zhou, Zhaokun

    2016-01-01

    Biophysical force spectroscopy tools - for example optical tweezers, magnetic tweezers, atomic force microscopy, - have been used to study elastic, mechanical, conformational and dynamic properties of single biological specimens from single proteins to whole cells to reveal information not accessible by ensemble average methods such as X-ray crystallography, mass spectroscopy, gel electrophoresis and so on. Here we review the application of these tools on a range of infection-related questions from antibody-inhibited protein processivity to virus-cell adhesion. In each case we focus on how the instrumental design tailored to the biological system in question translates into the functionality suitable for that particular study. The unique insights that force spectroscopy has gained to complement knowledge learned through population averaging techniques in interrogating biomolecular details prove to be instrumental in therapeutic innovations such as those in structure-based drug design.

  17. Atomic spectroscopy and radiative processes

    CERN Document Server

    Landi Degl'Innocenti, Egidio

    2014-01-01

    This book describes the basic physical principles of atomic spectroscopy and the absorption and emission of radiation in astrophysical and laboratory plasmas. It summarizes the basics of electromagnetism and thermodynamics and then describes in detail the theory of atomic spectra for complex atoms, with emphasis on astrophysical applications. Both equilibrium and non-equilibrium phenomena in plasmas are considered. The interaction between radiation and matter is described, together with various types of radiation (e.g., cyclotron, synchrotron, bremsstrahlung, Compton). The basic theory of polarization is explained, as is the theory of radiative transfer for astrophysical applications. Atomic Spectroscopy and Radiative Processes bridges the gap between basic books on atomic spectroscopy and the very specialized publications for the advanced researcher: it will provide under- and postgraduates with a clear in-depth description of theoretical aspects, supported by practical examples of applications.

  18. Modulation cancellation method (MOCAM) in modulation spectroscopy

    Science.gov (United States)

    Spagnolo, V.; Dong, L.; Kosterev, A. A.; Thomazy, D.; Doty, J. H.; Tittel, F. K.

    2011-05-01

    An innovative spectroscopic technique based on balancing and cancellation of modulated signals induced by two excitation sources. We used quartz enhanced photoacoustic spectroscopy (QEPAS) in a 2f wavelength modulation mode as an absorption sensing technique and employed a modulation cancelation approach for spectroscopic measurements of small temperature differences in a gas mixture and detection of broadband absorbers. We demonstrated measurement of small temperature differences in a C2H2/N2gas mixture with a sensitivity of 30 mK in 17 sec and detection of hydrazine, a broadband absorbing chemical species, down to concentration of 1 part per million in volume in 1 sec. In both cases we used near-infrared laser diodes and selected overtone transitions.nuscrip

  19. Optical Spectroscopy of Single Nanowires

    OpenAIRE

    Trägårdh, Johanna

    2008-01-01

    This thesis describes optical spectroscopy on III-V semiconductor nanowires. The nanowires were grown by metal-organic vapor phase epitaxy (MOVPE) and chemical beam epitaxy (CBE). Photoluminescence and photocurrent spectroscopy are used as tools to investigate issues such as the size of the band gap, the effects of surface states, and the charge carrier transport in core-shell nanowires. The band gap of InAs1-xPx nanowires with wurtzite crystal structure is measured as a function of ...

  20. Annual reports on NMR spectroscopy

    CERN Document Server

    Webb, Graham A; McCarthy, M J

    1995-01-01

    Over recent years, no other technique has grown to such importance as that of NMR spectroscopy. It is used in all branches of science where precise structural determination is required and where the nature of interactions and reactions in solution is being studied. Annual Reports on NMR Spectroscopy has established itself as a means for the specialist and non-specialist alike to become familiar with new applications of the technique in all branches of chemistry, including biochemistry, and pharmaceutics. This volume focuses on theoretical aspects of NMR nuclear shielding and on applications of

  1. Migraine and magnetic resonance spectroscopy

    DEFF Research Database (Denmark)

    Younis, Samaira; Hougaard, Anders; Vestergaard, Mark B.

    2017-01-01

    Purpose of review: To present an updated and streamlined overview of the metabolic and biochemical aspect of the migraine pathophysiology based on findings from phosphorous (31P) and hydrogen (1H) magnetic resonance spectroscopy (MRS) studies. Recent findings: Despite of the variation in the meth......Purpose of review: To present an updated and streamlined overview of the metabolic and biochemical aspect of the migraine pathophysiology based on findings from phosphorous (31P) and hydrogen (1H) magnetic resonance spectroscopy (MRS) studies. Recent findings: Despite of the variation...

  2. X-ray Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yano, Junko; Yachandra, Vittal K.

    2009-07-09

    This review gives a brief description of the theory and application of X-ray absorption spectroscopy, both X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS), especially, pertaining to photosynthesis. The advantages and limitations of the methods are discussed. Recent advances in extended EXAFS and polarized EXAFS using oriented membranes and single crystals are explained. Developments in theory in understanding the XANES spectra are described. The application of X-ray absorption spectroscopy to the study of the Mn4Ca cluster in Photosystem II is presented.

  3. Laser Spectroscopy : XII International Conference

    CERN Document Server

    Allegrini, Maria; Sasso, Antonio

    1996-01-01

    This text includes all the recent advances in the field of laser spectroscopy. Major results span from the control of matter by electromagnetic fields (trapping and coding) to high precision measurements on simple atomic systems and to quantum optics with single atoms. It includes a report of the Bose-Einstein condensation achieved by laser-cooling of rubidium atoms. Achievements in the technology of tunable sources, in particular of miniaturized solid state devices, are also reported. Most recent advances in molecular spectroscopy are illustrated with emphasis on "cooled" spectra, clusters and high accuracy frequency references. Topics such as atomic interferometry and microcavity quantum optics are also covered.

  4. Slitless spectroscopy of geosynchronous satellites

    Science.gov (United States)

    Tippets, Roger D.; Wakefield, Stephen; Young, Shannon; Ferguson, Ian; Earp-Pitkins, Christopher; Chun, Francis K.

    2015-10-01

    A preliminary investigation into the use of slitless spectroscopy for characterization of geosynchronous satellites is described. A 100 line/mm diffraction grating is used as the dispersing device, and the spectral data obtained are compared to a model with good results. A method used to collect and calibrate slitless spectral observations accounting for pixel to wavelength conversion, pixel response as a function of wavelength, and solar features is presented. Observations of several geosynchronous satellites throughout a night reveal reflectance with noticeable and different profiles indicating that slitless spectroscopy offers the potential for another modality for identifying and discriminating satellites.

  5. Myopic Selection

    OpenAIRE

    Geroski, P. A.; Mazzucato, M.

    2002-01-01

    The severity of selection mechanisms and the myopia of selection are explored through a duopoly model where one firm tries to move down a learning curve in which costs are initially higher than its rival's but ultimately much lower. A trade-off is found between catch-up time and asymptotic market share: the more severe are selection pressures, the less likely is it that the learning technology will survive; however, if it does survive, the learning technology will in the limit be more competi...

  6. Myopic selection

    OpenAIRE

    Geroski, P.A.; Mazzucato, M.

    2002-01-01

    The severity of selection mechanisms and the myopia of selection are explored through a duopoly model where one firm tries to move down a learning curve in which costs are initially higher than its rival's but ultimately much lower. A trade-off is found between catch-up time and asymptotic market share: the more severe are selection pressures, the less likely is it that the learning technology will survive; however, if it does survive, the learning technology will in the limit be more competi...

  7. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, A.

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO{sub 2} and NO{sub 3}) and unstable neutral species ((IHI) and (FH{sub 2})). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  8. Spectroscopy of transient neutral species via negative ion photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, Alexandra [Univ. of California, Berkeley, CA (United States)

    1991-12-01

    Negative ion photoelectron spectroscopy has been used to study two types of transient neutral species: bound free radicals (NO2 and NO3) and unstable neutral species ([IHI] and [FH2]). The negative ion time-of-flight photoelectron spectrometer used for these experiments is described in detail.

  9. Characterization of single airborne particle extinction using the tunable optical trap-cavity ringdown spectroscopy (OT-CRDS) in the UV.

    Science.gov (United States)

    Gong, Zhiyong; Pan, Yong-Le; Wang, Chuji

    2017-03-20

    We integrated a rigid optical trap into a tunable pulsed cavity ringdown spectroscopy (OT-CRDS) system to characterize the extinction of single airborne particles in the UV spectral region (306-315 nm). Single solid particles from a multi-walled carbon nanotube (MWCNT), Bermuda grass smut spore, carbon microsphere, and blackened polyethylene microsphere were trapped in air based on the photophoretic force. The improved OT-CRDS system was highly sensitive and able to resolve extinctions of single particles from different materials and sizes at a given wavelength. Further, we successfully manipulated the number of particles, e.g., 1, 2 or more particles, in the trap and measured their distinguishable extinctions using the OT-CRDS. We also show that the particle size and extinction have a good linear correlation from the measurements of 24 single MWCNT particles. Material- and wavelength-dependent extinctions of the four types of airborne particles were also characterized. Results reveal that single airborne particles regardless of their differences in material and size, due to their heterogeneous morphology, have individual-particle dependent extinctions and that dependence can be resolved and characterized using the OT-CRDS technique.

  10. Selective mutism

    Science.gov (United States)

    ... have a family history of selective mutism, extreme shyness, or anxiety disorders, which may increase their risk ... well Inability to speak in certain social situations Shyness This pattern must be seen for at least ...

  11. Selective Enumeration

    National Research Council Canada - National Science Library

    Damon, Craig

    2000-01-01

    Selective enumeration is an approach to pruning search trees with the goal of preventing the generation of extraneous paths in the search tree, rather than generating paths that will later be pruned...

  12. Reflectance spectroscopy for soil analysis

    Science.gov (United States)

    Over the last three decades or more, researchers have estimated soil properties using visible and near infrared (VNIR) diffuse reflectance spectroscopy (DRS), with varying results. This presentation reviews the history and state-of –the art of VNIR-DRS, including relative estimation accuracy for var...

  13. Spectroscopy of Low Temperature Plasma

    CERN Document Server

    Ochkin, Vladimir N

    2009-01-01

    Providing an up-to-date overview on spectroscopical diagnostics of low temperature plasma Spectroscopy of Low Temperature Plasma covers the latest developments and techniques. Written by a distinguished scientist and experienced book author this text is applicable to many fields in materials and surface science as well as nanotechnology and contains numerous appendices with indispensable reference data.

  14. Picosecond spectroscopy of dihydro biliverdin

    Science.gov (United States)

    Ditto, Manfred; Brunner, Harald; Lippitsch, Max E.

    1991-10-01

    Picosecond time-resolved fluorescence and absorption spectroscopy was performed on dihydro biliverdin, a model for the chromophore in the plant pigment phytochrome, a chromoprotein governing plant growth. Close agreement between the model compound and the native chromophore proves the importance of the saturated pyrrol ring for the decay kinetics and renders chromophore protonation in phytochrome unlikely.

  15. Current Trends in Atomic Spectroscopy.

    Science.gov (United States)

    Wynne, James J.

    1983-01-01

    Atomic spectroscopy is the study of atoms/ions through their interaction with electromagnetic radiation, in particular, interactions in which radiation is absorbed or emitted with an internal rearrangement of the atom's electrons. Discusses nature of this field, its status and future, and how it is applied to other areas of physics. (JN)

  16. Ultrafast spectroscopy of biological photoreceptors

    NARCIS (Netherlands)

    Kennis, J.T.M.; Groot, M.L.

    2007-01-01

    We review recent new insights on reaction dynamics of photoreceptors proteins gained from ultrafast spectroscopy. In Blue Light sensing Using FAD (BLUF) domains, a hydrogen-bond rearrangement around the flavin chromophore proceeds through a radical-pair mechanism, by which light-induced electron and

  17. Raman spectroscopy for nanomaterials characterization

    CERN Document Server

    2012-01-01

    First volume of a 40-volume series on nanoscience and nanotechnology, edited by the renowned scientist Challa S.S.R. Kumar. This handbook gives a comprehensive overview about Raman spectroscopy for the characterization of nanomaterials. Modern applications and state-of-the-art techniques are covered and make this volume essential reading for research scientists in academia and industry.

  18. Astronomical Spectroscopy A Short History

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 3; Issue 5. Astronomical Spectroscopy A Short History. J C Bhattacharyya. General Article Volume 3 Issue 5 May 1998 pp 24-29. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/003/05/0024-0029 ...

  19. Fluorescence Spectroscopy and its Applications

    Indian Academy of Sciences (India)

    TECS

    ferent aspects of fluorescence spectroscopy and applications in chemistry, which I hope would be useful to both chemists and spectroscopists. I thank the Indian Academy of Sciences and, in particular, the Editorial. Board of the Journal of Chemical Sciences for inviting me to be the Guest. Editor of this Special Issue.

  20. High-spin nuclear spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Diamond, R.M.

    1986-07-01

    High-spin spectroscopy is the study of the changes in nuclear structure, properties, and behavior with increasing angular momentum. It involves the complex interplay between collective and single-particle motion, between shape and deformation changes, particle alignments, and changes in the pairing correlations. A review of progress in theory, experimentation, and instrumentation in this field is given. (DWL)

  1. Raman spectroscopy of oral bacteria

    Science.gov (United States)

    Berger, Andrew J.; Zhu, Qingyuan; Quivey, Robert G.

    2003-10-01

    Raman spectroscopy has been employed to measure the varying concentrations of two oral bacteria in simple mixtures. Evaporated droplets of centrifuged mixtures of Streptococcus sanguis and Streptococcus mutans were analyzed via Raman microspectroscopy. The concentration of s. sanguis was determined based upon the measured Raman spectrum, using partial least squares cross-validation, with an r2 value of 0.98.

  2. FEMTOSECOND SPECTROSCOPY OF SOLVATED ELECTRON IN AQUEOUS MEDIA

    OpenAIRE

    Gauduel, Yann; Pommeret, S.; Antonetti, A.

    1991-01-01

    The elucidation of detailed mechanisms of ultrafast events that occur in molecular charge transfer or reaction dynamics has been made possible by recent advances in spectroscopy techniques that use ultrashort laser pulse generation. Ultrashort laser pulses (100 femtoseconds duration, 1 fs = 10-15 s) allow to initiate selective photochemical processes (single charge transfer for instance) and to obtain unique informations on the dynamics of primary steps of radical reactions involving ultrafas...

  3. In vivo magnetic resonance imaging and 31P spectroscopy of large human brain tumours at 1.5 tesla

    DEFF Research Database (Denmark)

    Thomsen, C; Jensen, K E; Achten, E

    1988-01-01

    31P MR spectroscopy of human brain tumours is one feature of magnetic resonance imaging. Eight patients with large superficial brain tumours and eight healthy volunteers were examined with 31P spectroscopy using an 8 cm surface coil for volume selection. Seven frequencies were resolved in our spe...

  4. Wavelength-dependent effects of evening light exposure on sleep architecture and sleep EEG power density in men.

    Science.gov (United States)

    Münch, Mirjam; Kobialka, Szymon; Steiner, Roland; Oelhafen, Peter; Wirz-Justice, Anna; Cajochen, Christian

    2006-05-01

    Light strongly influences the circadian timing system in humans via non-image-forming photoreceptors in the retinal ganglion cells. Their spectral sensitivity is highest in the short-wavelength range of the visible light spectrum as demonstrated by melatonin suppression, circadian phase shifting, acute physiological responses, and subjective alertness. We tested the impact of short wavelength light (460 nm) on sleep EEG power spectra and sleep architecture. We hypothesized that its acute action on sleep is similar in magnitude to reported effects for polychromatic light at higher intensities and stronger than longer wavelength light (550 nm). The sleep EEGs of eight young men were analyzed after 2-h evening exposure to blue (460 nm) and green (550 nm) light of equal photon densities (2.8 x 10(13) photons x cm(-2) x s(-1)) and to dark (0 lux) under constant posture conditions. The time course of EEG slow-wave activity (SWA; 0.75-4.5 Hz) across sleep cycles after blue light at 460 nm was changed such that SWA was slightly reduced in the first and significantly increased during the third sleep cycle in parietal and occipital brain regions. Moreover, blue light significantly shortened rapid eye movement (REM) sleep duration during these two sleep cycles. Thus the light effects on the dynamics of SWA and REM sleep durations were blue shifted relative to the three-cone visual photopic system probably mediated by the circadian, non-image-forming visual system. Our results can be interpreted in terms of an induction of a circadian phase delay and/or repercussions of a stronger alerting effect after blue light, persisting into the sleep episode.

  5. Wavelength Dependence of Nanosecond IR Laser-Induced Breakdown in Water: Evidence for Multiphoton Initiation via an Intermediate State

    Science.gov (United States)

    2015-04-29

    ρseed AI when ρc >= ρseed El ec tro n de ns ity (c m -3 ) Time (ns) via Eini = 6.6 eV via Egap = 9.5 eV 27 REFERENCES 1. A. Vogel, P...tomography, Sci. Transl. Med . 2, 58ra85 (2010). 4. A. Vogel, J. Noack, G. Huettman, and G. Paltauf, Mechanisms of femtosecond laser nanosurgery of cells

  6. Ultraviolet light photosensitivity in Ge-doped silica fibers: wavelength dependence of the light-induced index change.

    Science.gov (United States)

    Malo, B; Vineberg, K A; Bilodeau, F; Albert, J; Johnson, D C; Hill, K O

    1990-09-01

    A novel technique is reported for detecting permanent and transient light-induced refractive-index changes (photosensitivity) in optical fibers. The index change is detected by irradiating one arm of an unbalanced Mach-Zehnder fiber interferometer with UV light, thereby changing its optical path length. From a measurement of the change in the spectral response of the Mach-Zehnder interferometer, the change in the fiber core index as a function of wavelength can be determined. The equilibrium change in the core index is found to have an almost constant value of approximately 2.3 x 10(-5) over the measured wavelength range of 700 to 1400 nm.

  7. Neutral interstellar hydrogen in the inner heliosphere under the influence of wavelength-dependent solar radiation pressure

    Science.gov (United States)

    Tarnopolski, S.; Bzowski, M.

    2009-01-01

    Context: With the plethora of detailed results from heliospheric missions such as Ulysses and SOHO and at the advent of the first mission dedicated to in situ studies of neutral heliospheric atoms IBEX, we have entered the era of precision heliospheric studies. Interpretation of these data requires precision modeling, with second-order effects quantitatively taken into account. Aims: We study the influence of the non-flat shape of the solar Lyman-α line on the distribution of neutral interstellar hydrogen in the inner heliosphere and assess the importance of this effect for interpretation of heliospheric in situ measurements. Methods: Based on available data, we (i) constructed a model of evolution for the solar Lyman-α line profile with solar activity; (ii) modified an existing test-particle code used to calculate the distribution of neutral interstellar hydrogen in the inner heliosphere so that it takes the dependence of radiation pressure on radial velocity into account; and (iii) compared results of the old and new version. Results: Discrepancies between the classical and Doppler models appear between ~5 and 3 AU and increase towards the Sun from a few percent to a factor of 1.5 at 1 AU. The classical model overestimates the density everywhere except for a ~60° cone around the downwind direction, where a density deficit appears. The magnitude of the discrepancies appreciably depends on the phase of the solar cycle, but only weakly on the parameters of the gas at the termination shock. For in situ measurements of neutral atoms performed at ~1 AU, like those planned for IBEX, the Doppler correction will need to be taken into account, because the modifications include both the magnitude and direction of the local flux by a few km s-1 and degrees, respectively, which, when unaccounted for, would introduce an error of a few km s-1 and degrees in determination of the magnitude and direction of the bulk velocity vector at the termination shock. Conclusions: The Doppler correction is appreciable for in situ observations of neutral H populations and their derivatives performed a few AU from the Sun.

  8. Investigation of black and brown carbon multiple-wavelength-dependent light absorption from biomass and fossil fuel combustion source emissions

    Science.gov (United States)

    Michael R. Olson; Mercedes Victoria Garcia; Michael A. Robinson; Paul Van Rooy; Mark A. Dietenberger; Michael Bergin; James Jay Schauer

    2015-01-01

    Quantification of the black carbon (BC) and brown carbon (BrC) components of source emissions is critical to understanding the impact combustion aerosols have on atmospheric light absorption. Multiple-wavelength absorption was measured from fuels including wood, agricultural biomass, coals, plant matter, and petroleum distillates in controlled combustion settings....

  9. Wavelength dependence of the time course of fluorescence enhancement and photobleaching during irradiation of ethidium bromide-stained nuclei

    Directory of Open Access Journals (Sweden)

    L Galassi

    2009-12-01

    Full Text Available The variation of fluorescence during irradiation of ethidium bromide-stained nuclei with the 458 nm argon laser line was measured at different wavelengths throughout the emission spectrum. When glycerol was used as a mountant, photoenhancement of fluorescence was observed at all wavelengths, but was greater at the shorter wavelengths. Fluorescence increased by almost one order of magnitude at 500 nm after 40 s of irradiation, compared with only about 10% at wavelengths longer than 600 nm after 2-3 s. In nuclei mounted in phosphate buffer, an initial photoenhancement of fluorescence was detected only at the shorter wavelengths, while continuous photobleaching was observed in the rest of the emission spectrum. When the spectra are normalized to maximum, so as to eliminate the effect of the concurrent photobleaching, it appears that the difference between the time course of fluorescence variation in buffer and glycerol depends largely on the lower photobleaching rate in glycerol. The photoenhancement of fluorescence at shorter wavelengths was found to consist of a band peaking at 485-491 nm in glycerol and at 495-496 nm in buffer. Attenuation of the inner-filter effect contributes minimally to the enhancement of fluores- cence at shorter wavelengths. Since the dimer is known to be non fluorescent, the light-induced disaggregation of dimers to monomers cannot be an explanation for the large increase of fluorescence at the shorter wavelengths. The same laser beam that was used to excite the fluorescence of stained nuclei was also used for monitoring the concomitant variation of transmitted light, from which the variation of absorptance during irradiation was computed. While the expected decrease of absorptance was observed in glycerol, reflecting the photodestruction of the fluorophore, in buffer solution an unexpected initial increase was found, which may reflect the accumulation of an absorbing photoproduct.

  10. Investigation of black and brown carbon multiple-wavelength-dependent light absorption from biomass and fossil fuel combustion source emissions

    Science.gov (United States)

    Olson, Michael R.; Victoria Garcia, Mercedes; Robinson, Michael A.; Van Rooy, Paul; Dietenberger, Mark A.; Bergin, Michael; Schauer, James Jay

    2015-07-01

    Quantification of the black carbon (BC) and brown carbon (BrC) components of source emissions is critical to understanding the impact combustion aerosols have on atmospheric light absorption. Multiple-wavelength absorption was measured from fuels including wood, agricultural biomass, coals, plant matter, and petroleum distillates in controlled combustion settings. Filter-based absorption measurements were corrected and compared to photoacoustic absorption results. BC absorption was segregated from the total light extinction to estimate the BrC absorption from individual sources. Results were compared to elemental carbon (EC)/organic carbon (OC) concentrations to determine composition's impact on light absorption. Multiple-wavelength absorption coefficients, Angstrom exponent (6.9 to 0.9 OC/TC), source emissions have variable absorption spectra, and nonbiomass combustion sources can be significant contributors to BrC.

  11. Impact of brown and clear carbon on light absorption enhancement, single scatter albedo and absorption wavelength dependence of black carbon

    Directory of Open Access Journals (Sweden)

    D. A. Lack

    2010-05-01

    Full Text Available The presence of clear coatings on atmospheric black carbon (BC particles is known to enhance the magnitude of light absorption by the BC cores. Based on calculations using core/shell Mie theory, we demonstrate that the enhancement of light absorption (EAbs by atmospheric black carbon (BC when it is coated in mildly absorbing material (CBrown is reduced relative to the enhancement induced by non-absorbing coatings (CClear. This reduction, sensitive to both the CBrown coating thickness and imaginary refractive index (RI, can be up to 50% for 400 nm radiation and 25% averaged across the visible radiation spectrum for reasonable core/shell diameters. The enhanced direct radiative forcing possible due to the enhancement effect of CClear is therefore reduced if the coating is absorbing. Additionally, the need to explicitly treat BC as an internal, as opposed to external, mixture with CBrown is shown to be important to the calculated single scatter albedo only when models treat BC as large spherical cores (>50 nm. For smaller BC cores (or fractal agglomerates consideration of the BC and CBrown as an external mixture leads to relatively small errors in the particle single scatter albedo of <0.03. It has often been assumed that observation of an absorption Angström exponent (AAE>1 indicates absorption by a non-BC aerosol. Here, it is shown that BC cores coated in CClear can reasonably have an AAE of up to 1.6, a result that complicates the attribution of observed light absorption to CBrown within ambient particles. However, an AAE<1.6 does not exclude the possibility of CBrown; rather CBrown cannot be confidently assigned unless AAE>1.6. Comparison of these model results to various ambient AAE measurements demonstrates that large-scale attribution of CBrown is a challenging task using current in-situ measurement methods. We suggest that coincident measurements of particle core and shell sizes along with the AAE may be necessary to distinguish absorbing and non-absorbing OC.

  12. Power spectrum analysis for optical tweezers. II: Laser wavelength dependence of parasitic filtering, and how to achieve high bandwidth

    DEFF Research Database (Denmark)

    Berg-Sørensen, Kirstine; Peterman, Erwin J G; Weber, Tom

    2006-01-01

    to the high transparency of silicon to near-infrared light. A simple model that accounts for this phenomenon is here solved for frequencies up to 100 kHz and for laser wavelengths between 750 and 1064 nm. The solution is applied to experimental data in the same range, and is demonstrated to give......In a typical optical tweezers detection system, the position of a trapped object is determined from laser light impinging on a quadrant photodiode. When the laser is infrared and the photodiode is of silicon, they can act together as an unintended low-pass filter. This parasicit effect is due...

  13. Laser wavelength dependence on angular emission dynamics of Nd : YAG laser-produced Sn plasmas

    Science.gov (United States)

    Freeman, J. R.; Harilal, S. S.; Verhoff, B.; Hassanein, A.; Rice, B.

    2012-10-01

    We investigated the laser wavelength effect on angular atomic and ionic emission from laser-produced Sn plasma, since it is regarded as a viable candidate for an EUV lithography source. For producing plasmas, the fundamental, second and fourth harmonics radiation from a Nd : YAG laser were used. The angular variation of atomic and ionic particle analysis was carried out using quartz crystal microbalance and Faraday cups by moving them in a circular path at a constant distance from the target normal. Along with atomic and ionic emission, we also compared the plasma emission features in the visible and EUV spectral regions. Results indicate strong forward bias in atomic and ionic plasma debris at all wavelengths. Shorter wavelength plasmas are found to generate more atomic particles while ion flux showed a similar trend irrespective of the excitation wavelength.

  14. Light at night acutely impairs glucose tolerance in a time-, intensity- and wavelength-dependent manner in rats

    NARCIS (Netherlands)

    Opperhuizen, Anneloes; Stenvers, Dirk J; Jansen, Remi D; Foppen, Ewout; Fliers, Eric; Kalsbeek, A.

    2017-01-01

    AIMS/HYPOTHESIS: Exposure to light at night (LAN) has increased dramatically in recent decades. Animal studies have shown that chronic dim LAN induced obesity and glucose intolerance. Furthermore, several studies in humans have demonstrated that chronic exposure to artificial LAN may have adverse

  15. Light at night acutely impairs glucose tolerance in a time-, intensity- and wavelength-dependent manner in rats

    NARCIS (Netherlands)

    Opperhuizen, Anne-Loes; Stenvers, Dirk J.; Jansen, Remi D.; Foppen, Ewout; Fliers, Eric; Kalsbeek, Andries

    2017-01-01

    Aims/hypothesis Exposure to light at night (LAN) has increased dramatically in recent decades. Animal studies have shown that chronic dim LAN induced obesity and glucose intolerance. Furthermore, several studies in humans have demonstrated that chronic exposure to artificial LAN may have adverse

  16. Imaging spectroscopy for characterisation of grass swards

    NARCIS (Netherlands)

    Schut, A.G.T.

    2003-01-01

    Keywords: Imaging spectroscopy, imaging spectrometry, remote sensing, reflection, reflectance, grass sward, white clover, recognition, characterisation, ground cover, growth monitoring, stress detection, heterogeneity quantificationThe potential of imaging spectroscopy as a tool for characterisation

  17. PHOTOACOUSTIC SPECTROSCOPY USING A SYNCHROTRON LIGHT SOURCE.

    Energy Technology Data Exchange (ETDEWEB)

    JACKSON, R.S.; MICHAELIAN, K.H.; HOMES, C.C.

    2001-02-05

    We have investigated the use of a synchrotron as a source for infrared photoacoustic spectroscopy. A synchrotron has an intrinsically high radiance, which is beneficial when photoacoustic spectroscopy is applied to small samples, especially at long wavelengths.

  18. Photoelectron spectroscopy and Auger electron spectroscopy of solids and surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kowalczyk, S.P.

    1976-01-01

    The use of photoelectron spectroscopy, primarily x-ray photoelectron spectroscopy, to obtain information on the electronic structure of a wide variety of solids (especially the bulk electronic structure of solids) is covered. Both valence band and core-level spectra, as well as a few cases of photon excited Auger electron spectroscopy, are employed in the investigations to derive information on N(E). The effect of several modulations inherent in the measured I(E)'s, such as final state band structure, cross section, and relaxation, is discussed. Examples of many-electron interactions in PES are given. Some experimental aspects of PES and AES studies are given with emphasis on sample preparation techniques. Multiple splitting of core levels is examined using the Mn levels in MnF/sub 2/ as a detailed case study. Core level splittings in transition metals, rare earth metals, transition metal halides and several alloys are also reported. The application of PES to the study of the chemical bond in some crystalline semiconductors and insulators, A/sup N/B/sup 8-N/ and A/sup N/B/sup 10-N/ compounds is treated, and a spectroscopic scale of ionicity for these compounds is developed from the measured ''s-band'' splitting in the valence band density of states. (GHT)

  19. Selective Competition

    NARCIS (Netherlands)

    A. Dubovik (Andrei); A. Parakhonyak (Alexei)

    2009-01-01

    textabstractWe consider a dynamic (differential) game with three players competing against each other. Each period each player can allocate his resources so as to direct his competition towards particular rivals -- we call such competition selective. The setting can be applied to a wide variety of

  20. Spectroscopy based on target luminescence caused by interaction with ultrashort UV laser pulses

    CERN Document Server

    Ionin, A A; Seleznev, L V; Sinitsyn, D V; Sunchugasheva, E S; Fokina, N A

    2015-01-01

    We proposed remote spectroscopy approach consisted in luminescence light utilization. During interaction with different targets ultrashort UV laser pulse generates broadband spectrum light, which can be applied for remote spectroscopy purposes. We selected appropriate target materials to cover required spectral range from 300 to 600 nm and provided an example of spectrum reconstruction of known material. Obtained spectra are in a good correlation with calculated ones.

  1. Fundamentals of Protein NMR Spectroscopy

    CERN Document Server

    Rule, Gordon S

    2006-01-01

    NMR spectroscopy has proven to be a powerful technique to study the structure and dynamics of biological macromolecules. Fundamentals of Protein NMR Spectroscopy is a comprehensive textbook that guides the reader from a basic understanding of the phenomenological properties of magnetic resonance to the application and interpretation of modern multi-dimensional NMR experiments on 15N/13C-labeled proteins. Beginning with elementary quantum mechanics, a set of practical rules is presented and used to describe many commonly employed multi-dimensional, multi-nuclear NMR pulse sequences. A modular analysis of NMR pulse sequence building blocks also provides a basis for understanding and developing novel pulse programs. This text not only covers topics from chemical shift assignment to protein structure refinement, as well as the analysis of protein dynamics and chemical kinetics, but also provides a practical guide to many aspects of modern spectrometer hardware, sample preparation, experimental set-up, and data pr...

  2. Charmonium and light hadron spectroscopy

    CERN Document Server

    Shen, Chengping

    2014-01-01

    In this report I review some results on the charmonium and light hadron spectroscopy mainly from BESIII and Belle experiments. For the charmonium, the contents include the observation of $\\psi(4040)/\\psi(4160) \\to \\eta \\jpsi$, the measurements of the $\\eta_c/\\eta_c(2S)$ resonance parameters and their decays, the evidence of the $\\psi_2(1^3D_2)$ state in the $\\chi_{c1}\\gamma$ mass spectrum. For the light hadron spectroscopy, the contents include the $X(1835)$ research in $e^+e^- \\to \\jpsi + X(1835)$ and $\\gamma \\gamma \\to \\eta' \\pi^+ \\pi^-$ processes, and the analysis of the $\\eta \\eta$, $\\omega \\phi$, $\\phi\\phi$ and $\\omega \\omega$ mass spectra in low mass region.

  3. Laser spectroscopy studies on nobelium

    Science.gov (United States)

    Block, Michael

    2017-11-01

    Laser spectroscopy of the heaviest elements provides high-precision data on their atomic and nuclear properties. For example, atomic level energies and ionization potentials allow us to probe the influence of relativistic effects on their atomic structure and to benchmark state-of-the-art atomic structure calculations. In addition, it offers an alternative route to determine nuclear properties like spins, magnetic moments and quadrupole moments in a nuclear model-independent way. Recently, a sensitive method based on resonant laser ionization has been applied to nobelium isotopes around N = 152 at GSI Darmstadt. In pioneering experiments, several atomic states have been identified extending the reach of laser spectroscopy beyond fermium. In this contribution, the main achievements and future perspectives are briefly summarized.

  4. Quantitative tunneling spectroscopy of nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    First, Phillip N; Whetten, Robert L; Schaaff, T Gregory

    2007-05-25

    The proposed goals of this collaborative work were to systematically characterize the electronic structure and dynamics of 3-dimensional metal and semiconducting nanocrystals using scanning tunneling microscopy/spectroscopy (STM/STS) and ballistic electron emission spectroscopy (BEES). This report describes progress in the spectroscopic work and in the development of methods for creating and characterizing gold nanocrystals. During the grant period, substantial effort also was devoted to the development of epitaxial graphene (EG), a very promising materials system with outstanding potential for nanometer-scale ballistic and coherent devices ("graphene" refers to one atomic layer of graphitic, sp2 -bonded carbon atoms [or more loosely, few layers]). Funding from this DOE grant was critical for the initial development of epitaxial graphene for nanoelectronics

  5. Optical spectroscopy for biotechnology students

    Science.gov (United States)

    Buongiorno, D.

    2017-03-01

    Spectroscopy is a fundamental and a professionalizing content for biotechnology students. In particular, optical spectroscopy represents an important link between physical optics, its main applications and its atomic-molecular interpretations. After a teaching intervention concerning physical optics, a laboratory-based activity, carried out with optical goniometer, was conducted with freshmen in biotechnology in the context of their physics course at Udine University (IT). The study aims to monitor students' reasoning and learning difficulties about the interpretation of discrete atomic spectra, so the activity was accompanied by a IBL tutorial and by a post-test inspired by the existing Physics Education Research literature. 56 students completed the tutorial, 45 of them competed the post-test. Here we report and discuss the results emerged from data analysis of the students' written answers.

  6. Supercurrent Spectroscopy of Andreev States

    Directory of Open Access Journals (Sweden)

    L. Bretheau

    2013-12-01

    Full Text Available We measure the excitation spectrum of a superconducting atomic contact. In addition to the usual continuum above the superconducting gap, the single-particle excitation spectrum contains discrete, spin-degenerate Andreev levels inside the gap. Quasiparticle excitations are induced by a broadband on-chip microwave source and detected by measuring changes in the supercurrent flowing through the atomic contact. Since microwave photons excite quasiparticles in pairs, two types of transitions are observed: Andreev transitions, which consist of putting two quasiparticles in an Andreev level, and transitions to odd states with a single quasiparticle in an Andreev level and the other one in the continuum. In contrast to absorption spectroscopy, supercurrent spectroscopy allows detection of long-lived odd states.

  7. Heavy quark spectroscopy and decay

    Energy Technology Data Exchange (ETDEWEB)

    Schindler, R.H.

    1987-01-01

    The understanding of q anti q systems containing heavy, charmed, and bottom quarks has progressed rapidly in recent years, through steady improvements in experimental techniques for production and detection of their decays. These lectures are meant to be an experimentalist's review of the subject. In the first of two lectures, the existing data on the spectroscopy of the bound c anti c and b anti b systems will be discussed. Emphasis is placed on comparisons with the theoretical models. The second lecture covers the rapidly changing subject of the decays of heavy mesons (c anti q and b anti q), and their excited states. In combination, the spectroscopy and decays of heavy quarks are shown to provide interesting insights into both the strong and electroweak interactions of the heavy quarks. 103 refs., 39 figs.

  8. Assessment of historical polymers using attenuated total reflectance-Fourier transform infra-red spectroscopy with principal component analysis

    National Research Council Canada - National Science Library

    Mitchell, Gemma; France, Fenella; Nordon, Alison; Tang, Pik Leung; Gibson, Lorraine T

    2013-01-01

    Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy with a diamond ATR crystal was used to examine 41 historical polymer fragments and a selection of polyurethane fragments subjected to accelerated ageing...

  9. Spectroscopy, scattering, and KK molecules

    Energy Technology Data Exchange (ETDEWEB)

    Weinstein, J. [Univ. of Mississippi, University, MS (United States)

    1994-04-01

    The author presents a pedagogical description of a new theoretical technique, based on the multichannel Schroedinger equation, for simultaneously applying the quark model to both meson spectroscopy and meson-meson scattering. This is an extension of an earlier analysis which led to the prediction that the f{sub o}(975) and a{sub o}(980) scalar mesons are K{bar K} molecular states.

  10. Heavy quark production and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Appel, J.A.

    1993-11-01

    This review covers many new experimental results on heavy flavor production and spectroscopy. It also shows some of the increasingly improved theoretical understanding of results in light of basic perturbative QCD and heavy quark symmetry. At the same time, there are some remaining discrepancies among experiments as well as significant missing information on some of the anticipated lowest lying heavy quark states. Most interesting, perhaps, are some clearly measured production effects awaiting full explanation.

  11. Bottom Production, Spectroscopy and Lifetimes

    CERN Document Server

    Argiro, Stefano

    2013-01-01

    In this contribution, I give a brief overview of the latest results related to the production, spectroscopy and lifetimes of bottom and charm hadrons. Several interesting experimental results were presented in this field in 2012. The focus will be on the findings of experiments performed at hadron colliders, since the LHC is taking up most of the stage this year, with a brief mention about electron-proton collider results.

  12. Multiplexed fluorescence lifetime measurements by frequency-sweeping Fourier spectroscopy.

    Science.gov (United States)

    Zhao, Ming; Peng, Leilei

    2010-09-01

    We report simultaneous measurements of fluorescence lifetimes at multiple excitation wavelengths with a Fourier transform frequency domain fluorescence lifetime spectrometer. The spectrometer uses a Michelson interferometer with its differential optical path length scanning at a 22,000 Hz scan rate. The scan speed of the optical delay varies linearly during each scan and creates interference modulations that sweep from -150 to 150 MHz in 45.5 micros. The frequency-sweeping modulation allows nanosecond fluorescence lifetime measurements within 45.5 micros. Because the interference modulation frequency is wavelength dependent, under the Fourier multiplexing principle, the spectrometer can perform lifetime measurements on multiple excitation wavelengths simultaneously.

  13. Neutron spectroscopy of molecular nanomagnets

    Science.gov (United States)

    Baker, M. L.; Mutka, H.

    2012-11-01

    This short overview gives an account on the use of neutron spectroscopy for the examination of molecular nanomagnets, systems constructed by crystalline arrangement of finite size clusters (usually with regular form) of interacting moment carrying atoms - magnetic molecules. Opposed to extended magnetic systems with bands of collective excitations such as spin-waves the molecular nanomagnets are entities with local properties, each magnetic molecule possessing a finite number of energy levels that can be solved exactly for small enough systems. In essence, the number of states remains finite despite growing rapidly with increasing number of magnetic centers and the value of the spin quantum number. Increasingly large numbers of states and more complex exchange networks lead to the need for approximative treatments, the validity of which can be checked with neutron spectroscopy. Molecular nanomagnets provide interesting examples of physics and magnetochemistry, illustrated here with a few examples that highlight the power of neutron spectroscopy for precise investigation of the energy level structure and spatial configuration of the magnetic exchange parameters.

  14. Selective photoantisepsis.

    Science.gov (United States)

    Harris, David M; Reinisch, Lou

    2016-10-01

    Selective killing of pathogens by laser is possible due to the difference in absorption of photon energy by pathogens and host tissues. The optical properties of pathogenic microorganisms are used along with the known optical properties of soft tissues in calculations of the laser-induced thermal response of pathogen colonies embedded in a tissue model. The objective is to define the laser parameters that optimize pathogen destruction and depth of the bactericidal effect. The virtual periodontium is a computational model of the optical and time-dependent thermal properties of infected periodontal tissues. The model simulates the periodontal procedure: Laser Sulcular Debridement. 1 Virtual pathogen colonies are placed at different depths in the virtual periodontium to determine the depth for effective bactericidal effects given various laser parameters (wavelength, peak power, pulse duration, scan rate, fluence rate) and differences in pathogen sensitivities. Accumulated background heat from multiple passes increases the depth of the bactericidal effect. In visible and near-IR wavelengths the large difference in absorption between normal soft tissue and Porphyromonas gingivalis (Pg) and Prevotella intermedia (Pi) results in selective destruction. Diode laser (810 nm) efficacy and depth of the bactericidal effect are variable and dependent on hemin availability. Both pulsed-Nd:YAG and the 810 nm diode lasers achieve a 2-3 mm deep damage zone for pigmented Pg and Pi in soft tissue without surface damage (selective photoantisepsis). The model predicts no selectivity for the Er:YAG laser (2,940 nm). Depth of the bactericidal effect is highly dependent on pathogen absorption coefficient. Highly sensitive pathogens may be destroyed as deep as 5-6 mm in soft tissue. Short pulse durations enable confinement of the thermal event to the target. Temporal selectivity is achieved by adjusting pulse duration based on target size. The scatter-limited phototherapy model

  15. Stress Analysis of SiC MEMS Using Raman Spectroscopy

    Science.gov (United States)

    Ness, Stanley J.; Marciniak, M. A.; Lott, J. A.; Starman, L. A.; Busbee, J. D.; Melzak, J. M.

    2003-03-01

    During the fabrication of Micro-Electro-Mechanical Systems (MEMS), residual stress is often induced in the thin films that are deposited to create these systems. These stresses can cause the device to fail due to buckling, curling, or fracture. Industry is looking for ways to characterize the stress during the deposition of thin films in order to reduce or eliminate device failure. Micro-Raman spectroscopy has been successfully used to characterize poly-Si MEMS devices made with the MUMPS® process. Raman spectroscopy was selected because it is nondestructive, fast and has the potential for in situ stress monitoring. This research attempts to use Raman spectroscopy to analyze the stress in SiC MEMS made with the MUSiC® process. Raman spectroscopy is performed on 1-2-micron-thick SiC thin films deposited on silicon, silicon nitride, and silicon oxide substrates. The most common poly-type of SiC found in thin film MEMS made with the MUSiC® process is 3C-SiC. Research also includes baseline spectra of 6H, 4H, and 15R poly-types of bulk SiC.

  16. [Comparison of quasi-continuous and continuous tunable diode laser absorption spectroscopy for gas detection].

    Science.gov (United States)

    Du, Zhen-Hui; Gao, Dong-Yu; Qi, Ru-Bin; Xu, Xiao-Bin; Jiao, Meng

    2012-06-01

    The theoretical analysis of the direct absorption spectroscopy, the continuous modulation spectroscopy and the quasi-continuous modulation spectroscopy was shown and the corresponding experiments were carried out in order to choose the adequate scheme of the laser modulation spectroscopy to satisfy different requirements of the detection. CO2 gas with different concentrations was detected under the same experimental conditions by using the three different modulation techniques with the same laser. Technical characteristics, signal features and detection limits were compared respectively. Results showed that the detection limit of the quasi-continuous modulation spectroscopy was approaching to that of the continuous modulation spectroscopy. However the linear distortion of the detection signal was obvious, because of the effects of laser energy intermittent and parasitic amplitude modulation on the line shape. Therefore the quasi-continuous modulation spectroscopy is not suitable for the pressure and flow measurements, which closely depend on the line shape. This work has provided reference for selections of the laser modulation spectroscopy.

  17. Selected papers

    CERN Document Server

    Tamm, I E; Frenkel, V Ya

    1991-01-01

    I.E. Tamm is one of the great figures of 20th-century physics and the mentor of the late A.D. Sakharov. Together with I.M. Frank, he received the Nobel Prize in 1958 for the explanation of the Cherenkov effect. This book contains an annotated selection of his most important contributions to physics literature and essays on his contemporaries - Mandelstam, Einstein, Landau and Bohr as well as his contributions to the Pugwash conferences. About a third of the selections originally appeared in Russian and are now available to Western readers. This volume includes a preface by Sir Rudolf Peierls, a biography compiled by Tamm's former students, V.Ya. Frenkel and B.M. Bolotovskii, and a complete bibliography. This monograph on quantum theory, science history, particles and fields and the Cherenkov effect is intended for students, researchers, mathematicians and natural scientists in general.

  18. Friendship Selection

    OpenAIRE

    Rivas, Javier

    2007-01-01

    We model the formation of friendships as repeated cooperation within a set of heterogeneous players. The model builds around three of the most important facts about friendship: friends help each other, there is reciprocity in the relationship and people usually have few friends. In our results we explain how similarity between people affects the friendship selection. We also characterize when the friendship network won’t depend on the random process by which people meet each other. Finally, w...

  19. Process spectroscopy in microemulsions—Raman spectroscopy for online monitoring of a homogeneous hydroformylation process

    Science.gov (United States)

    Paul, Andrea; Meyer, Klas; Ruiken, Jan-Paul; Illner, Markus; Müller, David-Nicolas; Esche, Erik; Wozny, Günther; Westad, Frank; Maiwald, Michael

    2017-03-01

    A major industrial reaction based on homogeneous catalysis is hydroformylation for the production of aldehydes from alkenes and syngas. Hydroformylation in microemulsions, which is currently under investigation at Technische Universität Berlin on a mini-plant scale, was identified as a cost efficient approach which also enhances product selectivity. Herein, we present the application of online Raman spectroscopy on the reaction of 1-dodecene to 1-tridecanal within a microemulsion. To achieve a good representation of the operation range in the mini-plant with regard to concentrations of the reactants a design of experiments was used. Based on initial Raman spectra partial least squares regression (PLSR) models were calibrated for the prediction of 1-dodecene and 1-tridecanal. Limits of predictions arise from nonlinear correlations between Raman intensity and mass fractions of compounds in the microemulsion system. Furthermore, the prediction power of PLSR models becomes limited due to unexpected by-product formation. Application of the lab-scale derived calibration spectra and PLSR models on online spectra from a mini-plant operation yielded promising estimations of 1-tridecanal and acceptable predictions of 1-dodecene mass fractions suggesting Raman spectroscopy as a suitable technique for process analytics in microemulsions.

  20. Nanotechnological selection.

    Science.gov (United States)

    Demming, Anna

    2013-01-18

    At the nanoscale measures can move from a mass-scale analogue calibration to counters of discrete units. The shift redefines the possible levels of control that can be achieved in a system if adequate selectivity can be imposed. As an example as ionic substances pass through nanoscale pores, the quantity of ions is low enough that the pore can contain either negative or positive ions. Yet precise control over this selectivity still raises difficulties. In this issue researchers address the challenge of how to regulate the ionic selectivity of negative and positive charges with the use of an external charge. The approach may be useful for controlling the behaviour, properties and chemical composition of liquids and has possible technical applications for nanofluidic field effect transistors [1]. Selectivity is a critical advantage in the administration of drugs. Nanoparticles functionalized with targeting moieties can allow delivery of anti-cancer drugs to tumour cells, whilst avoiding healthy cells and hence reducing some of the debilitating side effects of cancer treatments [2]. Researchers in Belarus and the US developed a new theranostic approach-combining therapy and diagnosis-to support the evident benefits of cellular selectivity that can be achieved when nanoparticles are applied in medicine [3]. Their process uses nanobubbles of photothermal vapour, referred to as plasmonic nanobubbles, generated by plasmonic excitations in gold nanoparticles conjugated to diagnosis-specific antibodies. The intracellular plasmonic nanobubbles are controlled by laser fluence so that the response can be tuned in individual living cells. Lower fluence allows non-invasive high-sensitive imaging for diagnosis and higher fluence can disrupt the cellular membrane for treatments. The selective response of carbon nanotubes to different gases has leant them to be used within various different types of sensors, as summarized in a review by researchers at the University of California

  1. Penning trap-assisted decay spectroscopy at SHIPTRAP

    Energy Technology Data Exchange (ETDEWEB)

    Droese, C.; Marx, G. [Universitaet Greifswald (Germany); Ackermann, D.; Block, M.; Dworschak, M.; Herfurth, F.; Hessberger, F.P.; Hofmann, S.; Schweikhard, L. [GSI, Helmholtzzentrum fuer Schwerionenforschung (Germany); Andersson, L.L. [University of Liverpool (United Kingdom); Blaum, K. [Max-Planck-Institut fuer Kernphysik (Germany); Ruprecht-Karls-Universitaet, Heidelberg (Germany); Eibach, M. [Johannes Gutenberg-Universitaet, Mainz (Germany); Eliseev, S.; Ketelaer, J.; Ketter, J. [Max-Planck-Institut fuer Kernphysik (Germany); Forsberg, U.; Rudolph, D. [Lund University (Sweden); Haettner, E.; Plass, W.R.; Scheidenberger, C. [GSI, Helmholtzzentrum fuer Schwerionenforschung (Germany); Justus-Liebig-Universitaet, Giessen (Germany); Mazzocco, M. [Dipartimento di Fisica, INFN Sezione di Padova (Italy); Minaya Ramirez, E. [Helmholtz-Institut, Mainz (Germany); Nesterenko, D.; Novikov, Yu. [PNPI, RAS, Gatchina (Russian Federation); Rahaman, S.; Stolze, S. [University of Jyvaeskylae (Finland); Rodriguez, D. [Universidad de Granada (Spain); Thirolf, P.G.; Weber, C. [Ludwig Maximilians-Universitaet, Garching (Germany); Vorobjev, G.K. [GSI, Helmholtzzentrum fuer Schwerionenforschung (Germany); PNPI, RAS, Gatchina (Russian Federation)

    2011-07-01

    Penning trap-assisted nuclear decay spectroscopy utilizes the high mass selectivity of a Penning trap to prepare an isotopically pure sample of a particular radionuclide for decay measurements. With the mass spectrometer SHIPTRAP at GSI Darmstadt a first experiment was performed to investigate {sup 205}Rn and {sup 213}Ra combining mass spectrometry and {alpha}-{gamma} spectroscopy by adding the new detector setup TRAPSPEC. The Penning trap served as a high-resolution mass separator to prepare a pure sample of {sup 213}Ra or {sup 205}Rn for implantation into the silicon detector array of TASISpec that was surrounded by three Ge detectors. For {sup 213}Ra the well-known {gamma} lines, X-rays of Rn and {gamma}-{gamma} coincidence es were observed. In addition, in the same experiment high-precision mass measurements of {sup 213}Ra and the radon isotopes {sup 203-207}Rn were performed. Since the characteristic {alpha} lines of neighboring radon isotopes produced simultaneously in the same irradiation are very similar trap-assisted spectroscopy is crucial to select a particular isotope for an unambiguous interpretation of the observed decay spectrum. Here, the preparation of {sup 205}Rn allowed the search for a so far unobserved isomeric state that is expected from the systematics in neighboring odd-A Rn isotopes.

  2. Selective Reproduction

    DEFF Research Database (Denmark)

    Svendsen, Mette N.

    2015-01-01

    This article employs a multi-species perspective in investigating how life's worth is negotiated in the field of neonatology in Denmark. It does so by comparing decision-making processes about human infants in the Danish neonatal intensive care unit with those associated with piglets who serve as...... as expectations within linear or predictive time frames are key markers in both sites. Exploring selective reproductive processes across human infants and research piglets can help us uncover aspects of the cultural production of viability that we would not otherwise see or acknowledge....

  3. 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

  4. Raman spectroscopy of bone metastasis

    Science.gov (United States)

    Esmonde-White, Karen A.; Sottnik, Joseph; Morris, Michael; Keller, Evan

    2012-02-01

    Raman spectroscopy of bone has been used to characterize chemical changes occurring in diseases such as osteoporosis, osteoarthritis and osteomyelitis. Metastasis of cancer into bone causes changes to bone quality that are similar to those observed in osteoporosis, such as decreased bone strength, but with an accelerated timeframe. In particular, osteolytic (bone degrading) lesions in bone metastasis have a marked effect on patient quality of life because of increased risk of fractures, pain, and hypercalcemia. We use Raman spectroscopy to examine bone from two different mouse models of osteolytic bone metastasis. Raman spectroscopy measures physicochemical information which cannot be obtained through standard biochemical and histological measurements. This study was reviewed and approved by the University of Michigan University Committee on the Care and Use of Animals. Two mouse models of prostate cancer bone metastasis, RM1 (n=3) and PC3-luc (n=4) were examined. Tibiae were injected with RM1 or PC3-luc cancer cells, while the contralateral tibiae received a placebo injection for use as controls. After 2 weeks of incubation, the mice were sacrificed and the tibiae were examined by Raman microspectroscopy (λ=785 nm). Spectroscopic markers corresponding to mineral stoichiometry, bone mineralization, and mineral crystallinity were compared in spectra from the cancerous and control tibiae. X-ray imaging of the tibia confirmed extensive osteolysis in the RM1 mice, with tumor invasion into adjoining soft tissue and moderate osteolysis in the PC3-luc mice. Raman spectroscopic markers indicate that osteolytic lesions are less mineralized than normal bone tissue, with an altered mineral stoichiometry and crystallinity.

  5. Transcutaneous Raman Spectroscopy of Bone

    Science.gov (United States)

    Maher, Jason R.

    Clinical diagnoses of bone health and fracture risk typically rely upon measurements of bone density or structure, but the strength of a bone is also dependent upon its chemical composition. One technology that has been used extensively in ex vivo, exposed-bone studies to measure the chemical composition of bone is Raman spectroscopy. This spectroscopic technique provides chemical information about a sample by probing its molecular vibrations. In the case of bone tissue, Raman spectra provide chemical information about both the inorganic mineral and organic matrix components, which each contribute to bone strength. To explore the relationship between bone strength and chemical composition, our laboratory has contributed to ex vivo, exposed-bone animal studies of rheumatoid arthritis, glucocorticoid-induced osteoporosis, and prolonged lead exposure. All of these studies suggest that Raman-based predictions of biomechanical strength may be more accurate than those produced by the clinically-used parameter of bone mineral density. The utility of Raman spectroscopy in ex vivo, exposed-bone studies has inspired attempts to perform bone spectroscopy transcutaneously. Although the results are promising, further advancements are necessary to make non-invasive, in vivo measurements of bone that are of sufficient quality to generate accurate predictions of fracture risk. In order to separate the signals from bone and soft tissue that contribute to a transcutaneous measurement, we developed an overconstrained extraction algorithm that is based upon fitting with spectral libraries derived from separately-acquired measurements of the underlying tissue components. This approach allows for accurate spectral unmixing despite the fact that similar chemical components (e.g., type I collagen) are present in both soft tissue and bone and was applied to experimental data in order to transcutaneously detect, to our knowledge for the first time, age- and disease-related spectral

  6. EDITORIAL: Nanotechnological selection Nanotechnological selection

    Science.gov (United States)

    Demming, Anna

    2013-01-01

    At the nanoscale measures can move from a mass-scale analogue calibration to counters of discrete units. The shift redefines the possible levels of control that can be achieved in a system if adequate selectivity can be imposed. As an example as ionic substances pass through nanoscale pores, the quantity of ions is low enough that the pore can contain either negative or positive ions. Yet precise control over this selectivity still raises difficulties. In this issue researchers address the challenge of how to regulate the ionic selectivity of negative and positive charges with the use of an external charge. The approach may be useful for controlling the behaviour, properties and chemical composition of liquids and has possible technical applications for nanofluidic field effect transistors [1]. Selectivity is a critical advantage in the administration of drugs. Nanoparticles functionalized with targeting moieties can allow delivery of anti-cancer drugs to tumour cells, whilst avoiding healthy cells and hence reducing some of the debilitating side effects of cancer treatments [2]. Researchers in Belarus and the US developed a new theranostic approach—combining therapy and diagnosis—to support the evident benefits of cellular selectivity that can be achieved when nanoparticles are applied in medicine [3]. Their process uses nanobubbles of photothermal vapour, referred to as plasmonic nanobubbles, generated by plasmonic excitations in gold nanoparticles conjugated to diagnosis-specific antibodies. The intracellular plasmonic nanobubbles are controlled by laser fluence so that the response can be tuned in individual living cells. Lower fluence allows non-invasive high-sensitive imaging for diagnosis and higher fluence can disrupt the cellular membrane for treatments. The selective response of carbon nanotubes to different gases has leant them to be used within various different types of sensors, as summarized in a review by researchers at the University of

  7. Photodissociation spectroscopy and dynamics of free radicals, clusters, and ions

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Hyeon [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    The photodissociation spectroscopy and dynamics of free radicals and ions is studied to characterize the dissociative electronic states in these species. To accomplish this, a special method of radical production, based on the photodetachment of the corresponding negative ion, has been combined with the technique of fast beam photofragment translational spectroscopy. The photofragment yield as a function of photon energy is obtained, mapping out the dissociative and predissociative electronic states. Branching ratios to various product channels, the translational energy distributions of the fragments, and bond dissociation energies are then determined at selected photon energies. The detailed picture of photodissociation dynamics is provided with the aid of ab initio calculations and a statistical model to interpret the observed data. Important reaction intermediates in combustion reactions have been studied: CCO, C2H5O, and linear Cn (n = 4--6).

  8. Cell signaling, post-translational protein modifications and NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Theillet, Francois-Xavier [In-cell NMR Group, Department of NMR-Supported Structural Biology, Leibniz Institute of Molecular Pharmacology (FMP Berlin) (Germany); Smet-Nocca, Caroline [Universite Lille Nord de France, CNRS UMR 8576 (France); Liokatis, Stamatios; Thongwichian, Rossukon; Kosten, Jonas [In-cell NMR Group, Department of NMR-Supported Structural Biology, Leibniz Institute of Molecular Pharmacology (FMP Berlin) (Germany); Yoon, Mi-Kyung; Kriwacki, Richard W. [St. Jude Children' s Research Hospital, Department of Structural Biology (United States); Landrieu, Isabelle; Lippens, Guy [Universite Lille Nord de France, CNRS UMR 8576 (France); Selenko, Philipp, E-mail: selenko@fmp-berlin.de [In-cell NMR Group, Department of NMR-Supported Structural Biology, Leibniz Institute of Molecular Pharmacology (FMP Berlin) (Germany)

    2012-11-15

    Post-translationally modified proteins make up the majority of the proteome and establish, to a large part, the impressive level of functional diversity in higher, multi-cellular organisms. Most eukaryotic post-translational protein modifications (PTMs) denote reversible, covalent additions of small chemical entities such as phosphate-, acyl-, alkyl- and glycosyl-groups onto selected subsets of modifiable amino acids. In turn, these modifications induce highly specific changes in the chemical environments of individual protein residues, which are readily detected by high-resolution NMR spectroscopy. In the following, we provide a concise compendium of NMR characteristics of the main types of eukaryotic PTMs: serine, threonine, tyrosine and histidine phosphorylation, lysine acetylation, lysine and arginine methylation, and serine, threonine O-glycosylation. We further delineate the previously uncharacterized NMR properties of lysine propionylation, butyrylation, succinylation, malonylation and crotonylation, which, altogether, define an initial reference frame for comprehensive PTM studies by high-resolution NMR spectroscopy.

  9. Doppler broadening thermometry based on cavity ring-down spectroscopy

    CERN Document Server

    Cheng, C -F; Sun, Y R; Tan, Y; Kang, P; Hu, S -M

    2015-01-01

    A Doppler broadening thermometry (DBT) instrument is built based on cavity ring-down spectroscopy (CRDS) for precise determination of the Boltzmann constant. Compared with conventional direct absorption methods, the high-sensitivity of CRDS allows to reach a satisfied precision at lower sample pressures, which also reduces the influence due to collisions. By recording the spectrum of C$_2$H$_2$ at 787 nm, we demonstrate a statistical uncertainty of 6 ppm (part per million) in the determined linewidth values by several hours' measurement at a sample pressure of 1.5 Pa. The influence on the spectroscopy-determined temperatures has been investigated, including the "hidden" weak lines overlapped with the selected transition for DBT measurements. The reproducibility has also been examined to be better than 10 ppm, and it indicates that the instrument is feasible for DBT measurement toward a precision at the ppm level.

  10. Raman spectroscopy as a tool for ecology and evolution.

    Science.gov (United States)

    Germond, Arno; Kumar, Vipin; Ichimura, Taro; Moreau, Jerome; Furusawa, Chikara; Fujita, Hideaki; Watanabe, Tomonobu M

    2017-06-01

    Scientists are always on the lookout for new modalities of information which could reveal new biological features that are useful for deciphering the complexity of biological systems. Here, we introduce Raman spectroscopy as a prime candidate for ecology and evolution. To encourage the integration of this microscopy technique in the field of ecology and evolution, it is crucial to discuss first how Raman spectroscopy fits within the conceptual, technical and pragmatic considerations of ecology and evolution. In this paper, we show that the spectral information holds reliable indicators of intra- and interspecies variations, which can be related to the environment, selective pressures and fitness. Moreover, we show how the technical and pragmatic aspects of this modality (non-destructive, non-labelling, speed, relative low cost, etc.) enable it to be combined with more conventional methodologies. With this paper, we hope to open new avenues of research and extend the scope of available methodologies used in ecology and evolution. © 2017 The Authors.

  11. Laser-induced fluorescence spectroscopy in tissue local necrosis detection

    Science.gov (United States)

    Cip, Ondrej; Buchta, Zdenek; Lesundak, Adam; Randula, Antonin; Mikel, Bretislav; Lazar, Josef; Veverkova, Lenka

    2014-03-01

    The recent effort leads to reliable imaging techniques which can help to a surgeon during operations. The fluorescence spectroscopy was selected as very useful online in vivo imaging method to organics and biological materials analysis. The presented work scopes to a laser induced fluorescence spectroscopy technique to detect tissue local necrosis in small intestine surgery. In first experiments, we tested tissue auto-fluorescence technique but a signal-to-noise ratio didn't express significant results. Then we applied a contrast dye - IndoCyanine Green (ICG) which absorbs and emits wavelengths in the near IR. We arranged the pilot experimental setup based on highly coherent extended cavity diode laser (ECDL) used for stimulating of some critical areas of the small intestine tissue with injected ICG dye. We demonstrated the distribution of the ICG exciter with the first file of shots of small intestine tissue of a rabbit that was captured by high sensitivity fluorescent cam.

  12. Photodissociation dynamics and spectroscopy of free radical combustion intermediates

    Energy Technology Data Exchange (ETDEWEB)

    Osborn, David Lewis [Univ. of California, Berkeley, CA (United States)

    1996-12-01

    The photodissociation spectroscopy and dynamics of free radicals is studied by the technique of fast beam photofragment translational spectroscopy. Photodetachment of internally cold, mass-selected negative ions produces a clean source of radicals, which are subsequently dissociated and detected. The photofragment yield as a function of photon energy is obtained, mapping out the dissociative and predissociative electronic states of the radical. In addition, the photodissociation dynamics, product branching ratios, and bond energies are probed at fixed photon energies by measuring the translational energy, P(ET), and angular distribution of the recoiling fragments using a time- and position-sensitive detector. Ab initio calculations are combined with dynamical and statistical models to interpret the observed data. The photodissociation of three prototypical hydrocarbon combustion intermediates forms the core of this work.

  13. IR spectroscopy of gaseous fluorocarbon ions: The perfluoroethyl anion

    Energy Technology Data Exchange (ETDEWEB)

    Crestoni, Maria Elisa; Chiavarino, Barbara [Dipartimento di Chimica e Tecnologie del Farmaco, Universita di Roma ' La Sapienza' , P. le A. Moro 5, I-00185 Roma (Italy); Lemaire, Joel; Maitre, Philippe [Universite Paris Sud, Laboratoire de Chimie Physique - UMR8000 CNRS, Faculte des Sciences - Batiment 350, 91405 Orsay Cedex (France); Fornarini, Simonetta, E-mail: simonetta.fornarini@uniroma1.it [Dipartimento di Chimica e Tecnologie del Farmaco, Universita di Roma ' La Sapienza' , P. le A. Moro 5, I-00185 Roma (Italy)

    2012-04-04

    Highlights: Black-Right-Pointing-Pointer C{sub 2}F{sub 5}{sup -} ions are formed by dissociative electron capture in perfluoropropane. Black-Right-Pointing-Pointer Both their reactivity towards neutrals and IRMPD spectroscopy are investigated. Black-Right-Pointing-Pointer The sampled C{sub 2}F{sub 5}{sup -} ions are best described as covalently bound pentafluoroethyl anions. - Abstract: The first IR spectrum of a perfluorinated carbanion has been obtained in the gas phase by IRMPD spectroscopy. Quantum chemical calculations at the MP2/cc-pVTZ level were performed yielding the optimized geometries and IR spectra for a covalently bound C{sub 2}F{sub 5}{sup -} species and for conceivable loosely bound F{sup -}(C{sub 2}F{sub 4}) complexes. Both the computational results and the IR characterization point to a covalent structure for the assayed species in agreement with the reactivity pattern displayed with selected neutrals.

  14. Conformationally resolved spectroscopy of jet-cooled methacetin

    Science.gov (United States)

    Moon, Cheol Joo; Ahn, Ahreum; Min, Ahreum; Seong, Yeon Guk; Kim, Ju Hyun; Choi, Myong Yong

    2017-11-01

    The excitation spectra of jet-cooled methacetin (MA) have been measured using a combination of mass-selected resonant two-photon ionization and ultraviolet-ultraviolet hole-burning (UV-UV HB) spectroscopy in the gas phase. Four different UV-UV HB spectra originating from two conformers of MA (syn- and anti-MA) with their fundamental and hot transitions have been obtained. IR-dip spectroscopy has conclusively confirmed the coexistence of the two conformers with the aid of theoretical calculations. Vibronic band assignments in the low frequency region caused by internal methyl group rotation in the methyl-capped peptide group, which originate from the 1e rotational level, are presented.

  15. Cavity Enhanced Velocity Modulation Spectroscopy

    Science.gov (United States)

    Siller, Brian; Mills, Andrew; Porambo, Michael; McCall, Benjamin

    2010-11-01

    Over the past several decades, velocity modulation spectroscopy has been used to study dozens of molecular ions of astronomical importance. This technique has been so productive because it provides the advantage of ion-neutral discrimination, which is critically important when interfering neutral molecules are many orders of magnitude more abundant, and when combined with heterodyne techniques, its sensitivity can approach the shot noise limit. Traditionally, velocity modulation experiments have utilized unidirectional multipass White cells to achieve up to about 8 passes through a positive column discharge cell. But by positioning the cell within an optical cavity, it is possible to obtain an effective path length orders of magnitude longer than was previously possible. We have demonstrated this novel technique using a Ti:Sapp laser in the near-IR to observe rovibronic transitions of N2+. By demodulating at twice the modulation frequency, 2nd derivative-like lineshapes are observed for ions that are velocity-modulated, while Gaussian lineshapes are observed for excited neutral that are concentration-modulated. The signals for N2+ and N2+* have been observed to be 78° out of phase with one another, so ion-neutral discrimination is retained. And due to the laser power enhancement and geometry of the optical cavity, Doppler-free saturation spectroscopy is now possible. Observed Lamb dips have widths of 50 MHz, and when combined with calibration by an optical frequency comb, this allows for determination of line centers to within 1 MHz. In our original demonstration of this technique, our sensitivity was limited by noise in the laser-cavity lock. Since then, we have integrated Noise Immune Cavity Enhanced Optical Heterodyne Molecular Spectroscopy (NICE-OHMS) by adding sidebands to the laser at an exact multiple of the cavity free spectral range, and demodulating at the sideband frequency before sending the signal to a lock-in amplifier for demodulating at twice the

  16. MR spectroscopy in clinical research

    DEFF Research Database (Denmark)

    Henriksen, O

    1994-01-01

    MR spectroscopy (MRS) offers unique possibilities for non-invasive evaluation of biochemistry in vivo. During recent years there has been a growing body of evidence from clinical research studies on human beings using 31P and 1H MRS. The results indicate that it is possible to evaluate phosphorous...... for non-invasive follow-up of treatment. Taken together, the evidence obtained so far certainly shows some trends for clinical applications of MRS. Methods are now available for the clinical research necessary for establishing routine clinical MRS examinations....

  17. The spectroscopy of fission fragments

    Energy Technology Data Exchange (ETDEWEB)

    Phillips, W.R. [Department of Physics and Astronomy, University of Manchester, Manchester, M13 9PL (United Kingdom); Collaboration: La Direction des Sciences de la Matiere du CEA (FR); Le Fonds National de la Recherche Scientifique de Belgique (BE)

    1998-12-31

    High-resolution measurements on {gamma} rays from fission fragments have provided a rich source of information, unobtainable at the moment in any other way, on the spectroscopy of neutron-rich nuclei. In recent years important data have been obtained on the yrast- and near yrast-structure of neutron-rich fission fragments. We discuss the scope of measurements which can be made on prompt gamma rays from secondary fission fragments, the techniques used in the experiments and some results recently obtained. (author) 24 refs., 8 figs., 1 tab.

  18. Pulsed Terahertz Spectroscopy of Biomolecules

    Science.gov (United States)

    Markelz, A. G.; Heilweil, E. J.

    1998-03-01

    Measurements of the collective vibrational modes associated with the 3D tertiary structure of biomolecules were undertaken using pulse terahertz spectroscopy. Transmission measurements of calf thymus DNA (CT-DNA), bovine serum albumin (BSA), and collagen were made for 2 cm-1 to 45 cm-1. For all three biomolecules, low frequency absorption bands could be distinguished from a broadband absorption increasing with frequency. For lyophilized powder samples, features appear at 15 cm-1 and 22 cm-1 for CT-DNA, 10 cm-1 for BSA, and 8 cm-1 and 12 cm-1 for collagen. Measurements were performed as a function of hydration and conformation.

  19. Development of MEMS photoacoustic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, Alex Lockwood; Eichenfield, Matthew S.; Griffin, Benjamin; Harvey, Heidi Alyssa; Nielson, Gregory N.; Okandan, Murat; Langlois, Eric; Resnick, Paul James; Shaw, Michael J.; Young, Ian; Givler, Richard C.; Reinke, Charles M.

    2014-01-01

    After years in the field, many materials suffer degradation, off-gassing, and chemical changes causing build-up of measurable chemical atmospheres. Stand-alone embedded chemical sensors are typically limited in specificity, require electrical lines, and/or calibration drift makes data reliability questionable. Along with size, these "Achilles' heels" have prevented incorporation of gas sensing into sealed, hazardous locations which would highly benefit from in-situ analysis. We report on development of an all-optical, mid-IR, fiber-optic based MEMS Photoacoustic Spectroscopy solution to address these limitations. Concurrent modeling and computational simulation are used to guide hardware design and implementation.

  20. [Near infrared spectroscopy study on water content in turbine oil].

    Science.gov (United States)

    Chen, Bin; Liu, Ge; Zhang, Xian-Ming

    2013-11-01

    Near infrared (NIR) spectroscopy combined with successive projections algorithm (SPA) was investigated for determination of water content in turbine oil. Through the 57 samples of different water content in turbine oil scanned applying near infrared (NIR) spectroscopy, with the water content in the turbine oil of 0-0.156%, different pretreatment methods such as the original spectra, first derivative spectra and differential polynomial least squares fitting algorithm Savitzky-Golay (SG), and successive projections algorithm (SPA) were applied for the extraction of effective wavelengths, the correlation coefficient (R) and root mean square error (RMSE) were used as the model evaluation indices, accordingly water content in turbine oil was investigated. The results indicated that the original spectra with different water content in turbine oil were pretreated by the performance of first derivative + SG pretreatments, then the selected effective wavelengths were used as the inputs of least square support vector machine (LS-SVM). A total of 16 variables selected by SPA were employed to construct the model of SPA and least square support vector machine (SPA-LS-SVM). There is 9 as The correlation coefficient was 0.975 9 and the root of mean square error of validation set was 2.655 8 x 10(-3) using the model, and it is feasible to determine the water content in oil using near infrared spectroscopy and SPA-LS-SVM, and an excellent prediction precision was obtained. This study supplied a new and alternative approach to the further application of near infrared spectroscopy in on-line monitoring of contamination such as water content in oil.

  1. Selected writings

    CERN Document Server

    Galilei, Galileo

    2012-01-01

    'Philosophy is written in this great book which is continually open before our eyes - I mean the universe...' Galileo's astronomical discoveries changed the way we look at the world, and our place in the universe. Threatened by the Inquisition for daring to contradict the literal truth of the Bible, Galileo ignited a scientific revolution when he asserted that the Earth moves. This generous selection from his writings contains all the essential texts for a reader to appreciate his lasting significance. Mark Davie's new translation renders Galileo's vigorous Italian prose into clear modern English, while William R. Shea's version of the Latin Sidereal Message makes accessible the book that created a sensation in 1610 with its account of Galileo's observations using the newly invented telescope. All Galileo's contributions to the debate on science and religion are included, as well as key documents from his trial before the Inquisition in 1633. A lively introduction and clear notes give an overview of Galileo's...

  2. Stochastic Time-Series Spectroscopy

    CERN Document Server

    Scoville, John

    2015-01-01

    Spectroscopically measuring low levels of non-equilibrium phenomena (e.g. emission in the presence of a large thermal background) can be problematic due to an unfavorable signal-to-noise ratio. An approach is presented to use time-series spectroscopy to separate non-equilibrium quantities from slowly varying equilibria. A stochastic process associated with the non-equilibrium part of the spectrum is characterized in terms of its central moments or cumulants, which may vary over time. This parameterization encodes information about the non-equilibrium behavior of the system. Stochastic time-series spectroscopy (STSS) can be implemented at very little expense in many settings since a series of scans are typically recorded in order to generate a low-noise averaged spectrum. Higher moments or cumulants may be readily calculated from this series, enabling the observation of quantities that would be difficult or impossible to determine from an average spectrum or from prinicipal components analysis (PCA). This meth...

  3. Migraine and magnetic resonance spectroscopy

    DEFF Research Database (Denmark)

    Younis, Samaira; Hougaard, Anders; Vestergaard, Mark B.

    2017-01-01

    Purpose of review: To present an updated and streamlined overview of the metabolic and biochemical aspect of the migraine pathophysiology based on findings from phosphorous (31P) and hydrogen (1H) magnetic resonance spectroscopy (MRS) studies. Recent findings: Despite of the variation in the meth......Purpose of review: To present an updated and streamlined overview of the metabolic and biochemical aspect of the migraine pathophysiology based on findings from phosphorous (31P) and hydrogen (1H) magnetic resonance spectroscopy (MRS) studies. Recent findings: Despite of the variation...... in the methodology and quality of the MRS migraine studies over time, some results were consistent and reproducible. 31P-MRS studies suggested reduced availability of neuronal energy and implied a mitochondrial dysfunction in the migraine brain. 1H-MRS studies reported interictal abnormalities in the excitatory...... and inhibitory neurotransmitters, glutamate and g-aminobutyric acid (GABA), suggesting persistent altered excitability in migraine patients. N-Acetylaspartate levels were decreased in migraine, probably due to a mitochondrial dysfunction and abnormal energy metabolism. The reported abnormalities may increase...

  4. Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics Lecture: Broadband Rotational Spectroscopy for Chemical Kinetics, Molecular Structure, and Analytical Chemistry

    Science.gov (United States)

    Pate, Brooks

    2013-03-01

    Advances in high-speed digital electronics have enabled a new generation of molecular rotational spectroscopy techniques that provide instantaneous broadband spectral coverage. These techniques use a chirped excitation pulse to coherently excite the molecular sample over a spectral bandwidth of 10 GHz or larger through rapid passage. The subsequent time-domain emission is recorded using high-speed digitizers (up to 100 Gigasample/s) and the frequency domain spectrum is produced by fast Fourier transformation. The chirped-pulse Fourier transform (CP-FT) method has been implemented in the microwave frequency range (2-40 GHz) for studies of cold samples in pulsed jet sources and in the mm-wave/terahertz (THz) frequency range for studies of samples at room-temperature. The method has opened new applications for molecular rotational spectroscopy in the area of chemical kinetics where dynamic rotational spectroscopy is used to measure the rates of unimolecular isomerization reactions in highly excited molecules prepared by pulsed infrared laser excitation. In these applications, the isomerization rate is obtained from an analysis of the overall line shapes which are modified by chemical exchange leading to coalescence behavior similar to the effect in NMR spectroscopy. The sensitivity of the method and the ability to extend it to low frequency (2-8 GHz) have significantly increased the size range of molecules and molecular clusters for structure determination using isotopic substitution to build up the 3D molecular structures atom-by-atom. Application to the structure of water clusters with up to 15 water molecules will be presented. When coupled with advances in solid-state mm-wave/THz devices, this method provides a direct digital technique for analytical chemistry of room-temperature gases based on molecular rotational spectroscopy. These high-throughput methods can analyze complex sample mixtures with unmatched chemical selectivity and short analysis times. Work

  5. 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.

  6. Threshold photoelectron spectroscopy of the imidogen radical

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, Gustavo A., E-mail: gustavo.garcia@synchrotron-soleil.fr [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, BP 48, 91192 Gif sur Yvette (France); Gans, Bérenger [Institut des Sciences Moléculaires d’Orsay, Univ Paris-Sud, CNRS, Bât 210, Univ Paris-Sud, 91405 Orsay Cedex (France); Tang, Xiaofeng [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, BP 48, 91192 Gif sur Yvette (France); Ward, Michael; Batut, Sébastien [PC2A, Université de Lille 1, UMR CNRS-USTL 8522, Cité Scientifique Bât. C11, F-59655 Villeneuve d’Ascq (France); Nahon, Laurent [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, BP 48, 91192 Gif sur Yvette (France); Fittschen, Christa [PC2A, Université de Lille 1, UMR CNRS-USTL 8522, Cité Scientifique Bât. C11, F-59655 Villeneuve d’Ascq (France); Loison, Jean-Christophe [ISM, Université de Bordeaux, CNRS, 351 cours de la Libération, 33405 Talence Cedex (France)

    2015-08-15

    We present the threshold photoelectron spectroscopy of the imidogen radical (NH) recorded in the photon energy region up to 1 eV above its first ionization threshold. The radical was produced by reaction of NH{sub 3} and F in a microwave discharge flow-tube and photoionized using vacuum ultraviolet (VUV) synchrotron radiation. A double imaging coincidence spectrometer was used to record mass-selected spectra and avoid contributions from the byproducts present in the reactor and background gas. The energy region includes the ground X{sup +2}Π and first electronically excited a{sup +4}Σ{sup −} states of NH{sup +}. Strong adiabatic transitions and weak vibrational progressions up to v{sup +} = 2 are observed for both electronic states. The rotational profile seen in the origin band has been modeled using existing neutral and cationic spectroscopic constants leading to a precise determination of the adiabatic ionization energy at 13.480 ± 0.002 eV.

  7. A new look at exoplanetary spectroscopy

    Science.gov (United States)

    Waldmann, I. P.

    2014-04-01

    The field of exoplanetary spectroscopy is as fast moving as it is new. With an increasing amount of space and ground based instruments obtaining data on a large set of extrasolar planets we are indeed entering the era of exoplanetary characterisation. Permanently at the edge of instrument feasibility, it is as important as it is difficult to find the most optimal and objective methodologies to analysing and interpreting current data. This is particularly true for smaller and fainter Earth and Super-Earth type planets. For low to mid signal to noise (SNR) observations, we are prone to two sources of biases: 1) Prior selection in the data reduction and analysis; 2) Prior constraints on the spectral retrieval. In Waldmann et al. (2013), Morello et al. (2014) and Waldmann (2012, 2014) we have shown a prior-free approach to data analysis based on non-parametric machine learning techniques. Following these approaches we will present a new take on the spectral retrieval of extrasolar planets. Together with non-parametric data detrending of exoplanetary spectra, we can reach an unprecedented level of objectivity in our characterisation of these foreign worlds.

  8. Four-dimensional coherent electronic Raman spectroscopy

    Science.gov (United States)

    Harel, Elad

    2017-04-01

    The correlations between different quantum-mechanical degrees of freedom of molecular species dictate their chemical and physical properties. Generally, these correlations are reflected in the optical response of the system but in low-order or low-dimensionality measurement the signals are highly averaged. Here, we describe a novel four-dimensional coherent spectroscopic method that directly correlates within and between the manifold of electronic and vibrational states. The optical response theory is developed in terms of both resonant and non-resonant field-matter interactions. Using resonance to select coherences on specific electronic states creates opportunities to directly distinguish coherent dynamics on the ground and electronically excited potentials. Critically, this method is free from lower-order signals that have plagued other electronically non-resonant vibrational spectroscopies. The theory presented here compliments recent work on the experimental demonstration of the 4D spectroscopic method described. We highlight specific means by which non-trivial effects such as anharmonicity (diagonal and off-diagonal), mode-specific vibronic coupling, and curvature of the excited states manifest in different projections of the 4D spectrum.

  9. Spectroscopy of Nanoscale Interfaces and Interfacial Properties at Metal/Semiconductor and Semiconductor/Electrolyte Junctions for Solar Energy Utilization

    Science.gov (United States)

    Yoon, KunHo

    Various spectroscopic techniques are used to characterize photoconduction mechanisms at nanoscale interfaces within solar energy utilization devices. Barrier heights between metal contacts and silicon nanowires were measured using spectrally resolved scanning photocurrent microscopy (SPCM). Illumination of the metal-semiconductor junction with sub-bandgap photons generates a photocurrent dominated by internal photo- emission of hot electrons. Analysis of the dependence of photocurrent yield on photon energy enables quantitative extraction of the barrier height. In vapor-liquid-solid (VLS) growth of semiconducting nanowires, it was hypothesized that radial inhomogeneity in dopant concentration arises from a faceted liquid-solid interface present during nanowire growth. Finite element method was used to present a simple growth model to account for 100-fold enhancements in dopant concentration near the VLS trijunction in both B-doped Si and P-doped Ge nanowires. Enhanced doping near the nanowire surface, mapped quantitatively with atom probe tomography, results in a lowering of the effective barrier height. Occupied interface states produce an additional lowering that depends strongly on diameter. The doping and diameter dependencies are explained quantitatively with finite element modeling. The combined tomography, electrical characterization, and numerical modeling approach represents a significant advance in the quantitative analysis of transport mechanisms at nanoscale interfaces that can be extended to other nanoscale devices and heterostructures. This result motivated the investigation of semiconductor/electrolyte interface in silicon photoanodes with a passivation layer. Using photoelectrochemical spectroscopy, the presence and the photoconduction via interface states were confirmed, and wavelength dependent impedance spectroscopy confirmed that the occupancy of the interface states can be probed under various applied biases and illumination conditions. Two

  10. Modern luminescence spectroscopy of minerals and materials

    CERN Document Server

    Gaft, Michael; Panczer, Gerard

    2005-01-01

    Luminescence Spectroscopy of Minerals and Materials presents an overview of the general concepts in luminescence spectroscopy as well as experimental methods and their interpretation. Special emphasis is laid on the fluorescence lifetime and the determination of time-resolved spectra. This method enables the exposure of new luminescence in minerals previously hidden by more intensive centers. Specialists in the fields of solid state physics, chemistry and spectroscopy will find a wealth of new information in this unique book.

  11. Fluorescence fluctuation spectroscopy (FFS), part A

    CERN Document Server

    Tetin, Sergey

    2013-01-01

    This new volume of Methods in Enzymology continues the legacy of this premier serial by containing quality chapters authored by leaders in the field. This volume covers Fluorescence Fluctuation SpectroscopyContains chapters on such topics as Time-integrated fluorescence cumulant analysis, Pulsed Interleaved Excitation, and raster image correlation spectroscopy and number and brightness analysis.Continues the legacy of this premier serial with quality chapters authored by leaders in the fieldCovers fluorescence fluctuation spectroscopyContains chapte

  12. Raman Spectroscopy and its Application in Nanostructures

    CERN Document Server

    Zhang, Shu-Lin

    2012-01-01

    Raman Spectroscopy and its Application in Nanostructures is an original and timely contribution to a very active area of physics and materials science research. This book presents the theoretical and experimental phenomena of Raman spectroscopy, with specialized discussions on the physical fundamentals, new developments and main features in low-dimensional systems of Raman spectroscopy. In recent years physicists, materials scientists and chemists have devoted increasing attention to low-dimensional systems and as Raman spectroscopy can be used to study and analyse such materials as carbon nan

  13. Ultrafast spectroscopy of semiconductors and semiconductor nanostructures

    CERN Document Server

    Shah, Jagdeep

    1996-01-01

    Ultrafast Spectroscopy of Semiconductors and Semiconductor Nanostructures Ultrafast spectroscopy of semiconductors is currently one of the most exciting areas of research in condensed-matter physics Remarkable recent progress in the generation of tunable femtosecond pulses has allowed direct investigation of the most fundamental dynamical processes in semiconductors This monograph presents some of the most striking recent advances in the field of ultrafast spectroscopy of semiconductors and their nanostructures After a brief overview of the basic concepts and of the recent advances in the techniques of ultrashort pulse generation and ultrafast spectroscopy, it discusses the physics of relaxation, tunneling and transport dynamics in semiconductors and semiconductor nanostructures following excitation by femtosecond laser pulses

  14. (DURIP-97) Ultrafast Nonlinear Optical Spectroscopy

    National Research Council Canada - National Science Library

    Wagner, Kelvin

    1999-01-01

    We have developed an ultrafast optical nonlinear spectroscopy facility with the motivation of studying spatio-temporal soliton interactions for all optical switching application and several associated...

  15. Wavelength-selective fluorescence in ion channels formed by ...

    Indian Academy of Sciences (India)

    We have previously shown that the tryptophan residues in ion channels formed by the naturally occurring peptide, gramicidin A', display wavelength-dependent fluorescence characteristics due to the motionally restricted environment in which they are localized. In order to check the influence of ground-state heterogeneity in ...

  16. Selected papers

    CERN Document Server

    Elgot, Calvin C

    1982-01-01

    Cal Elgot was a very serious and thoughtful researcher, who with great determi­ nation attempted to find basic explanations for certain mathematical phenomena­ as the selection of papers in this volume well illustrate. His approach was, for the most part, rather finitist and constructivist, and he was inevitably drawn to studies of the process of computation. It seems to me that his early work on decision problems relating automata and logic, starting with his thesis under Roger Lyndon and continuing with joint work with Biichi, Wright, Copi, Rutledge, Mezei, and then later with Rabin, set the stage for his attack on the theory of computation through the abstract treatment of the notion of a machine. This is also apparent in his joint work with A. Robinson reproduced here and in his joint papers with John Shepherdson. Of course in the light of subsequent work on decision problems by Biichi, Rabin, Shelah, and many, many others, the subject has been placed on a completely different plane from what it was whe...

  17. The COMPASS Hadron Spectroscopy Programme

    CERN Document Server

    Austregesilo, A

    2011-01-01

    COMPASS is a fixed-target experiment at the CERN SPS for the investigation of the structure and the dynamics of hadrons. The experimental setup features a large acceptance and high momentum resolution spectrometer including particle identification and calorimetry and is therefore ideal to access a broad range of different final states. Following the promising observation of a spin-exotic resonance during an earlier pilot run, COMPASS focused on light-quark hadron spectroscopy during the years 2008 and 2009. A data set, world leading in terms of statistics and resolution, has been collected with a 190GeV/c hadron beam impinging on either liquid hydrogen or nuclear targets. Spin-exotic meson and glueball candidates formed in both diffractive dissociation and central production are presently studied. Since the beam composition includes protons, the excited baryon spectrum is also accessible. Furthermore, Primakoff reactions have the potential to determine radiative widths of the resonances and to probe chiral pe...

  18. Surface inspection using FTIR spectroscopy

    Science.gov (United States)

    Powell, G. L.; Smyrl, N. R.; Williams, D. M.; Meyers, H. M., III; Barber, T. E.; Marrero-Rivera, M.

    1995-03-01

    The use of reflectance Fourier transform infrared (FTIR) spectroscopy as a tool for surface inspection is described. Laboratory instruments and portable instruments can support remote sensing probes that can map chemical contaminants on surfaces with detection limits under the best of conditions in the sub-nanometer range, i.e.. near absolute cleanliness, excellent performance in the sub-micrometer range, and useful performance for films tens of microns thick. Examples of discovering and quantifying contamination such as mineral oils and greases, vegetable oils, and silicone oils on aluminum foil, galvanized sheet steel, smooth aluminum tubing, and sandblasted 7075 aluminum alloy and D6AC steel. The ability to map in time and space the distribution of oil stains on metals is demonstrated. Techniques associated with quantitatively applying oils to metals, subsequently verifying the application, and non-linear relationships between reflectance and the quantity oil are described.

  19. Optical Spectroscopy of New Materials

    Science.gov (United States)

    White, Susan M.; Arnold, James O. (Technical Monitor)

    1993-01-01

    Composites are currently used for a rapidly expanding number of applications including aircraft structures, rocket nozzles, thermal protection of spacecraft, high performance ablative surfaces, sports equipment including skis, tennis rackets and bicycles, lightweight automobile components, cutting tools, and optical-grade mirrors. Composites are formed from two or more insoluble materials to produce a material with superior properties to either component. Composites range from dispersion-hardened alloys to advanced fiber-reinforced composites. UV/VIS and FTIR spectroscopy currently is used to evaluate the bonding between the matrix and the fibers, monitor the curing process of a polymer, measure surface contamination, characterize the interphase material, monitor anion transport in polymer phases, characterize the void formation (voids must be minimized because, like cracks in a bulk material, they lead to failure), characterize the surface of the fiber component, and measure the overall optical properties for energy balances.

  20. Wavelength modulation spectroscopy of semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Kohn, S.E.

    1977-10-01

    The use of modulation spectroscopy to study the electronic properties of solids has been very productive. The construction of a wide range Wavelength Modulation Spectrometer to study the optical properties of solids is described in detail. Extensions of the working range of the spectrometer into the vacuum ultraviolet are discussed. Measurements of the reflectivity and derivative reflectivity spectra of the lead chalcogenides, the chalcopyrite ZnGeP/sub 2/, the layer compounds GaSe and GaS and their alloys, the ferroelectric SbSI, layer compounds SnS/sub 2/ and SnSe/sub 2/, and HfS/sub 2/ were made. The results of these measurements are presented along with their interpretation in terms of band structure calculations.

  1. Photon correlation spectroscopy in ophthalmology

    Science.gov (United States)

    Rovati, L.

    2011-05-01

    On the basis of the theory of light scattering, photon correlation spectroscopy has been used for more than three decades to study ocular tissues. From first in-vitro experiments to study cataractogenesis, this approach has been extended to characterize semi-quantitatively in-vivo all the ocular tissues from cornea to retina and choroids. In order to acquire high quality measurement data from the experiments, serious attention has to be paid to the detector and processing system performance. Detector noise, sensitivity, dead time and afterpulsing lead to a direct or indirect corruption of the acquired correlation function whereas counting range and resolution should be optimized to take into account the wide variability of the ocular tissue optical characteristics.

  2. Photoacoustic spectroscopy for chemical detection

    Science.gov (United States)

    Holthoff, Ellen L.; Pellegrino, Paul M.

    2012-06-01

    The Global War on Terror has made rapid detection and identification of chemical and biological agents a priority for Military and Homeland Defense applications. Reliable real-time detection of these threats is complicated by our enemy's use of a diverse range of materials. Therefore, an adaptable platform is necessary. Photoacoustic spectroscopy (PAS) is a useful monitoring technique that is well suited for trace detection of gaseous media. This method routinely exhibits detection limits at the parts-per-billion (ppb) or sub-ppb range. The versatility of PAS also allows for the investigation of solid and liquid analytes. Current research utilizes quantum cascade lasers (QCLs) in combination with an air-coupled solid-phase photoacoustic cell design for the detection of condensed phase material films deposited on a surface. Furthermore, variation of the QCL pulse repetition rate allows for identification and molecular discrimination of analytes based solely on photoacoustic spectra collected at different film depths.

  3. A Century of Galaxy Spectroscopy

    Science.gov (United States)

    Rubin, Vera C.

    1995-10-01

    The first successful spectrum of a galaxy, M31, was obtained in 1898 and published in a two-page paper in the young Astrophysical Journal (Scheiner 1899). Thus the first century of galaxy spectroscopy and the first century of the Astrophysical Journal are almost coincident; I celebrate both in this paper. I describe the very early history of the determination of internal kinematics in spiral galaxies, often by quoting the astronomers' own published words. By mid-century, observations with improved optical and radio telescopes offered evidence that much of the matter in a galaxy is dark. As the century ends, research interests have enlarged to include study of spheroidal and disk galaxies with complex nuclear (and other) kinematics. These complicated velocity patterns are understood as the result of interactions, acquisitions, and mergers, and offer clear evidence of the important role of gravitational effects in galaxy evolution.

  4. Dielectric Spectroscopy in Biomaterials: Agrophysics

    Science.gov (United States)

    El Khaled, Dalia; Castellano, Nuria N.; Gázquez, Jose A.; Perea-Moreno, Alberto-Jesus; Manzano-Agugliaro, Francisco

    2016-01-01

    Being dependent on temperature and frequency, dielectric properties are related to various types of food. Predicting multiple physical characteristics of agri-food products has been the main objective of non-destructive assessment possibilities executed in many studies on horticultural products and food materials. This review manipulates the basic fundamentals of dielectric properties with their concepts and principles. The different factors affecting the behavior of dielectric properties have been dissected, and applications executed on different products seeking the characterization of a diversity of chemical and physical properties are all pointed out and referenced with their conclusions. Throughout the review, a detailed description of the various adopted measurement techniques and the mostly popular equipment are presented. This compiled review serves in coming out with an updated reference for the dielectric properties of spectroscopy that are applied in the agrophysics field. PMID:28773438

  5. Single-cell force spectroscopy.

    Science.gov (United States)

    Helenius, Jonne; Heisenberg, Carl-Philipp; Gaub, Hermann E; Muller, Daniel J

    2008-06-01

    The controlled adhesion of cells to each other and to the extracellular matrix is crucial for tissue development and maintenance. Numerous assays have been developed to quantify cell adhesion. Among these, the use of atomic force microscopy (AFM) for single-cell force spectroscopy (SCFS) has recently been established. This assay permits the adhesion of living cells to be studied in near-physiological conditions. This implementation of AFM allows unrivaled spatial and temporal control of cells, as well as highly quantitative force actuation and force measurement that is sufficiently sensitive to characterize the interaction of single molecules. Therefore, not only overall cell adhesion but also the properties of single adhesion-receptor-ligand interactions can be studied. Here we describe current implementations and applications of SCFS, as well as potential pitfalls, and outline how developments will provide insight into the forces, energetics and kinetics of cell-adhesion processes.

  6. MR spectroscopy in clinical research

    DEFF Research Database (Denmark)

    Henriksen, O

    1994-01-01

    MR spectroscopy (MRS) offers unique possibilities for non-invasive evaluation of biochemistry in vivo. During recent years there has been a growing body of evidence from clinical research studies on human beings using 31P and 1H MRS. The results indicate that it is possible to evaluate phosphorous...... for non-invasive follow-up of treatment. Taken together, the evidence obtained so far certainly shows some trends for clinical applications of MRS. Methods are now available for the clinical research necessary for establishing routine clinical MRS examinations....... energy metabolism, loss of neurones, and lactate production in a large number of brain diseases. Furthermore, 31P and 1H MRS may be particularly clinically useful in evaluation of various disorders in skeletal muscle. In the heart 31P MRS seems at the moment the most suitable for evaluation of global...

  7. Ultraviolet, Visible, and Fluorescence Spectroscopy

    Science.gov (United States)

    Penner, Michael H.

    Spectroscopy in the ultraviolet-visible (UV-Vis) range is one of the most commonly encountered laboratory techniques in food analysis. Diverse examples, such as the quantification of macrocomponents (total carbohydrate by the phenol-sulfuric acid method), quantification of microcomponents, (thiamin by the thiochrome fluorometric procedure), estimates of rancidity (lipid oxidation status by the thiobarbituric acid test), and surveillance testing (enzyme-linked immunoassays), are presented in this text. In each of these cases, the analytical signal for which the assay is based is either the emission or absorption of radiation in the UV-Vis range. This signal may be inherent in the analyte, such as the absorbance of radiation in the visible range by pigments, or a result of a chemical reaction involving the analyte, such as the colorimetric copper-based Lowry method for the analysis of soluble protein.

  8. Decay spectroscopy of $^{178}$Au

    CERN Document Server

    Whitmore, B

    In this thesis, the neutron-deficient nucleus $^{178}$Au is investigated through decay spectroscopy. Si and HPGe detectors were used to analyse the decay radiation of $^{178}$Au and its daughter nuclei. Previous studies have been unable to distinguish decay radiation from different isomeric states of this nucleus. This thesis represents the first time such isomeric discrimination has been achieved, and presents tentative spin assignments of both the ground state and an isomer. The neutron-deficient gold isotopes are an area of interest for the study of shape coexistence. This is the phenomenon exhibited by nuclei able to exist at a number of close lying energy minima, each reflecting a distinct type of deformation. It is hoped that studies such as this can help identify the evolution of nuclear deformation in this region of the nuclear chart.

  9. [Application of near infrared spectroscopy in analysis of wood properties].

    Science.gov (United States)

    Yao, Sheng; Pu, Jun-wen

    2009-04-01

    There is substantial interest in the improvement of wood properties through genetic selection or a change in silviculture prescription. Tree breeding purpose requires measurement of a large number of samples. However, traditional methods of assessing wood properties are both time consuming and destructive, limiting the numbers of samples that can be processed, so new method would be needed to find. Near infrared spectroscopy (NIR) is an advanced spectroscopic tool for nondestructive evaluation of wood and it can quickly, accurately estimate the properties of increment core, solid wood or wood meal. The present paper reviews the advances in the research on the wood chemistry properties and anatomical properties using NIR.

  10. IR spectroscopy of gaseous fluorocarbon ions: The perfluoroethyl anion

    Science.gov (United States)

    Crestoni, Maria Elisa; Chiavarino, Barbara; Lemaire, Joel; Maitre, Philippe; Fornarini, Simonetta

    2012-04-01

    The first IR spectrum of a perfluorinated carbanion has been obtained in the gas phase by IRMPD spectroscopy. Quantum chemical calculations at the MP2/cc-pVTZ level were performed yielding the optimized geometries and IR spectra for a covalently bound C2F5- species and for conceivable loosely bound F-(C2F4) complexes. Both the computational results and the IR characterization point to a covalent structure for the assayed species in agreement with the reactivity pattern displayed with selected neutrals.

  11. Chiral Process Monitoring Using Fourier Transform Microwave Spectroscopy

    Science.gov (United States)

    Neill, Justin L.; Muckle, Matt; Pate, Brooks

    2017-06-01

    We present the application of Fourier transform microwave (FTMW) spectroscopy in monitoring the chiral purity of components in a reaction mixture. This is of particular interest due to the increasing use of continuous pharmaceutical manufacturing processes, in which a number of attributes (including the chiral purity of the product) can change on short time scales. Therefore, new techniques that can accomplish this measurement rapidly are desired. The excellent specificity of FTMW spectroscopy, coupled with newly developed techniques for measuring enantiomeric excess in a mixture, have motivated this work. In collaboration with B. Frank Gupton (Virginia Commonwealth University), we are testing this application first with the synthesis of artemisinin. Artemisinin, a common drug for malaria treatment, is of high global health interest and subject to supply shortages, and therefore a strong candidate for continuous manufacturing. It also has moderately high molecular weight (282 amu) and seven chiral centers, making it a good candidate to test the capabilities of FTMW spectroscopy. Using a miniature cavity-enhanced FTMW spectrometer design, we aim to demonstrate selective component quantification in the reaction mixture. Future work that will be needed to fully realize this application will be discussed. R.D. Suenram, J.U. Grabow, A.Zuban, and I.Leonov, Rev. Sci. Instrum. 70, 2127 (1999).

  12. [Studies on Cancer Diagnosis by Using Spectroscopy Combined with Chemometrics].

    Science.gov (United States)

    Zhang, Zhuo-yong

    2015-09-01

    Studies on cancer diagnosis using various spectroscopic methods combined with chemometrics are briefly reviewed. Elemental contents in serum samples were determined by inductively coupled plasma atomic emission spectroscopy (ICP-AES), bidirectional associative memory (BAM) networks were used to establish diagnosis models for the relationships between elemental contents and lung cancer, liver cancer, and stomach cancer, respectively. Near infrared spectroscopy (NIRS) is a non-destructive detection technology. Near infrared spectra of endometrial carcinoma samples were determined and spectral features were extracted by chemoometric methods, a fuzzy rule-based expert system (FuRES) was used for establishing diagnosis model, satisfactory results were obtained. We also proposed a novel variable selection method based on particle swarm optimization (PSO) for near infrared spectra of endometrial carcinoma samples. Spectra with optimized variable were then modeled by support victor machine (SVM). Terahertz technology is an emerging technology for non-destructive detection, which has some unique characteristics. Terahertz time domain spectroscopy (THz-TDS) was used for cervical carcinoma measurement. Absorption coefficients were calculated from the measured time domain spectra and then processed with derivative, orthogonal signal correction (PC-OSC) to reduce interference components, and then fuzzy rule-based expert system (FuRES), fuzzy optimal associative memory (FOAM), support victor machine (SVM), and partial least squares discriminant analysis (PLS-DA) were used for diagnosis model establishment. The above results provide useful information for cancer occurring and development, and provide novel approaches for early stage diagnosis of various cancers.

  13. Medical applications of atomic force microscopy and Raman spectroscopy.

    Science.gov (United States)

    Choi, Samjin; Jung, Gyeong Bok; Kim, Kyung Sook; Lee, Gi-Ja; Park, Hun-Kuk

    2014-01-01

    This paper reviews the recent research and application of atomic force microscopy (AFM) and Raman spectroscopy techniques, which are considered the multi-functional and powerful toolkits for probing the nanostructural, biomechanical and physicochemical properties of biomedical samples in medical science. We introduce briefly the basic principles of AFM and Raman spectroscopy, followed by diagnostic assessments of some selected diseases in biomedical applications using them, including mitochondria isolated from normal and ischemic hearts, hair fibers, individual cells, and human cortical bone. Finally, AFM and Raman spectroscopy applications to investigate the effects of pharmacotherapy, surgery, and medical device therapy in various medicines from cells to soft and hard tissues are discussed, including pharmacotherapy--paclitaxel on Ishikawa and HeLa cells, telmisartan on angiotensin II, mitomycin C on strabismus surgery and eye whitening surgery, and fluoride on primary teeth--and medical device therapy--collagen cross-linking treatment for the management of progressive keratoconus, radiofrequency treatment for skin rejuvenation, physical extracorporeal shockwave therapy for healing of Achilles tendinitis, orthodontic treatment, and toothbrushing time to minimize the loss of teeth after exposure to acidic drinks.

  14. Cavity ring-down Faraday rotation spectroscopy for oxygen detection

    Science.gov (United States)

    Westberg, Jonas; Wysocki, Gerard

    2017-05-01

    A combination of the path length enhancement provided by cavity ring-down spectroscopy together with the selectivity and noise suppression capabilities of Faraday rotation spectroscopy is utilized for highly sensitive detection of oxygen at 762.3 nm. The system achieves a noise-equivalent rotation angle of 1.3 × 10-9 rad/√Hz, and a trace O2 detection limit of 160 ppb for 100 s of averaging. The technique relies on measurements of the losses in two orthogonal polarization directions simultaneously, whereby an absolute assessment of the magnetically induced polarization rotation can be retrieved, analogous to the absolute absorption measurement provided by stand-alone cavity ring-down spectroscopy. The differential nature of the technique described here eliminates the need for off-resonance decay measurements and thereby allows for efficient shot-to-shot fluctuation suppression. This is especially advantageous when operating the system under measurement conditions that severely affect the non-absorber related losses, such as particulate matter contamination typically present in combustion or open-path applications.

  15. High spin spectroscopy of 139 Pr

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 57; Issue 1. High spin spectroscopy of 139Pr. S Chanda Sarmishtha Bhattacharyya Tumpa Bhattacharjee S S Ghugre Swapan Kumar Basu S Muralithar R P Singh B Mukherjee R K Bhowmik S N Ray. Contributed Papers : Nuclear spectroscopy Volume 57 Issue 1 July ...

  16. Nonlinear Spectroscopy of Rubidium: An Undergraduate Experiment

    Science.gov (United States)

    Jacques, V.; Hingant, B.; Allafort, A.; Pigeard, M.; Roch, J. F.

    2009-01-01

    In this paper, we describe two complementary nonlinear spectroscopy methods which both allow one to achieve Doppler-free spectra of atomic gases. First, saturated absorption spectroscopy is used to investigate the structure of the 5S[subscript 1/2] [right arrow] 5P[subscript 3/2] transition in rubidium. Using a slightly modified experimental…

  17. Nanometrology using localized surface plasmon resonance spectroscopy

    DEFF Research Database (Denmark)

    Jeppesen, Claus; Lindstedt, Daniel N.; Laurberg, Asger V.

    2013-01-01

    A novel optical characterization technique called localized surface plasmon resonance (LSPR) spectroscopy is presented. LSPR spectroscopy exploits light excited surface plasmons, which are collective coherent electron oscillations at a metal/dielectric interface. The LSPR can be observed in a tra...

  18. Theory of attosecond absorption spectroscopy in krypton

    DEFF Research Database (Denmark)

    Baggesen, Jan Conrad; Lindroth, Eva; Madsen, Lars Bojer

    2012-01-01

    A theory for time-domain attosecond pump–attosecond probe photoabsorption spectroscopy is formulated and related to the atomic response. The theory is illustrated through a study of attosecond absorption spectroscopy in krypton. The atomic parameters entering the formulation such as energies...

  19. Novel Imaging Spectroscopy for Grass Sward Characterization

    NARCIS (Netherlands)

    Schut, A.G.T.; Ketelaars, J.J.M.H.; Meuleman, J.; Kornet, J.G.; Lokhorst, C.

    2002-01-01

    Attempts to improve grassland management may benefit from the use of new sensing techniques, such as imaging spectroscopy. In order to explore the potential of hyperspectral imaging spectroscopy for rapid and objective characterization of grass swards an experimental prototype has been developed.

  20. Biochemical applications of FT-IR spectroscopy

    NARCIS (Netherlands)

    Pistorius, A.M.A.

    1996-01-01

    This thesis describes the use of (FT-)IR spectroscopy in general biochemical research. In chapter 3, IR spectroscopy is used in the quantitation of residual detergent after reconstitution of an integral membrane protein in a pre-defined lipid matrix. This chapter discusses the choice of the

  1. Laser-induced breakdown spectroscopy combined with spatial heterodyne spectroscopy.

    Science.gov (United States)

    Gornushkin, Igor B; Smith, Ben W; Panne, Ulrich; Omenetto, Nicoló

    2014-01-01

    A spatial heterodyne spectrometer (SHS) is tested for the first time in combination with laser-induced breakdown spectroscopy (LIBS). The spectrometer is a modified version of the Michelson interferometer in which mirrors are replaced by diffraction gratings. The SHS contains no moving parts and the gratings are fixed at equal distances from the beam splitter. The main advantage is high throughput, about 200 times higher than that of dispersive spectrometers used in LIBS. This makes LIBS-SHS a promising technique for low-light standoff applications. The output signal of the SHS is an interferogram that is Fourier-transformed to retrieve the original plasma spectrum. In this proof-of-principle study, we investigate the potential of LIBS-SHS for material classification and quantitative analysis. Brass standards with broadly varying concentrations of Cu and Zn were tested. Classification via principal component analysis (PCA) shows distinct groupings of materials according to their origin. The quantification via partial least squares regression (PLS) shows good precision (relative standard deviation < 10%) and accuracy (within ± 5% of nominal concentrations). It is possible that LIBS-SHS can be developed into a portable, inexpensive, rugged instrument for field applications.

  2. Fourier Transform Infrared Spectroscopy and Photoacoustic Spectroscopy for Saliva Analysis.

    Science.gov (United States)

    Mikkonen, Jopi J W; Raittila, Jussi; Rieppo, Lassi; Lappalainen, Reijo; Kullaa, Arja M; Myllymaa, Sami

    2016-09-01

    Saliva provides a valuable tool for assessing oral and systemic diseases, but concentrations of salivary components are very small, calling the need for precise analysis methods. In this work, Fourier transform infrared (FT-IR) spectroscopy using transmission and photoacoustic (PA) modes were compared for quantitative analysis of saliva. The performance of these techniques was compared with a calibration series. The linearity of spectrum output was verified by using albumin-thiocyanate (SCN(-)) solution at different SCN(-) concentrations. Saliva samples used as a comparison were obtained from healthy subjects. Saliva droplets of 15 µL were applied on the silicon sample substrate, 6 drops for each specimen, and dried at 37 ℃ overnight. The measurements were carried out using an FT-IR spectrometer in conjunction with an accessory unit for PA measurements. The findings with both transmission and PA modes mirror each other. The major bands presented were 1500-1750 cm(-1) for proteins and 1050-1200 cm(-1) for carbohydrates. In addition, the distinct spectral band at 2050 cm(-1) derives from SCN(-) anions, which is converted by salivary peroxidases to hypothiocyanate (OSCN(-)). The correlation between the spectroscopic data with SCN(-) concentration (r > 0.990 for transmission and r = 0.967 for PA mode) was found to be significant (P < 0.01), thus promising to be utilized in future applications. © The Author(s) 2016.

  3. Effect of axial ligand on the binding mode of M-meso-tetrakis(N-methylpyridinium-4-yl)porphyrin to DNA probed by circular and linear dichroism spectroscopies.

    Science.gov (United States)

    Gong, Lindan; Bae, Inho; Kim, Seog K

    2012-10-18

    The binding modes of cationic porphyrins, namely M-meso-tetrakis(N-methylpyridinium-4-yl)porphyrin (MTMPyP, where M = free base, Cu(II), Ni(II), Co(III), Mn(III), V(IV)═O, and Ti(IV)═O), to native DNA were systematically investigated by polarized light spectroscopies, viz. circular and linear dichroism spectroscopy (CD and LD, respectively). At low [porphyrin]/[DNA] ratio, planar porphyrins including TMPyP, CuTMPyP, and NiTMPyP exhibited a negative CD signal in the Soret region and large negative wavelength-dependent LD(r) signal which is characteristics of their intercalative binding mode. In the intercalation pocket, the molecular plane of porphyrin is skewed to a large extent as it was judged from a large wavelength-dependency of the LD(r) magnitude in the Soret region. As the mixing ratio was increased, a bisignate CD spectrum became apparent for all of the planar porphyrins, while the shape of LD(r) remained the same, indicating the coupling of the electric transition moments of the intercalated porphyrins. Thus, coupling can occur between the porphyrins when they are separated at least two DNA base-pairs according to the nearest neighboring site exclusion model. This coupling interaction was the weakest for NiTMPyP. The porphyrins with axial ligands, namely VOTMPyP, TiOTMPyP, MnTMPyP, and CoTMPyP, bind to the exterior of the DNA at a low [porphyrin]/[DNA] ratio, which is indicated by the positive CD signal in the Soret region. The absorption and LD spectra in the Soret region were treated as the sum of two transitions to calculate the angle between each of the electric transition moments of the porphyrin, i.e., the B(x) and B(y) transitions relative to the local DNA helix axis. The angle of one of the two electric transitions of the porphyrin is in the range of 56°∼59°, whereas the other is in the range of 59°∼65°. Increasing the porphyrin density resulted in the appearance of an interaction between the bound porphyrins, which was indicated by the

  4. Cyclohexene photo-oxidation over vanadia catalyst analyzed by time resolvedATR-FT-IT spectroscopy

    NARCIS (Netherlands)

    Mul, Guido; Wasylenko, W.; Sameh Hamdy, M.; Frei, H.

    2008-01-01

    Vanadia was incorporated in the 3-D mesoporous material TUD-1 with a loading of 2% w/w vanadia. The performance in the selective photo-oxidation of liquid cyclohexene was investigated using ATR-FT-IR spectroscopy. Under continuous illumination at 458 nm a significant amount of product,

  5. Use of near infrared spectroscopy to measure the chemical and mechanical properties of solid wood

    Science.gov (United States)

    Stephen S. Kelley; Timothy G. Rials; Rebecca Snell; Leslie H. Groom; Amie Sluiter

    2004-01-01

    Near infrared (NIR) spectroscopy (500 nm-2400 nm), coupled with multivariate analytic (MVA) statistical techniques, have been used to predict the chemical and mechanical properties of solid loblolly pine wood. The samples were selected from different radial locations and heights of three loblolly pine trees grown in Arkansas. The chemical composition and mechanical...

  6. Use of near infared spectroscopy to measure the chemical and mechanical properties of solid wood

    Science.gov (United States)

    Stephen S. Kelley; Timothy G. Rials; Rebecca Snell; Leslie H. Groom; Amie Sluiter

    2004-01-01

    Near infrared (NIR) spectroscopy (500 nm-2400 nm), coupled with multivariate analytic (MVA) statistical techniques, have been used to predict the chemical and mechanical properties of solid loblolly pine wood. The samples were selected from different radial locations and heights of three loblolly pine trees grown in Arkansas. The chemical composition and mechanical...

  7. The structure of deprotonated tri-alanine and its a(3)(-) fragment anion by IR spectroscopy

    NARCIS (Netherlands)

    Oomens, J.; Steill, J.D.

    2010-01-01

    We present the first infrared spectra of a mass-selected deprotonated peptide anion (AlaAlaAla) and its decarboxylated fragment anion formed by collision induced dissociation. Spectra are obtained by IRMPD spectroscopy using an FTICR mass spectrometer in combination with the free electron laser

  8. The Structure of Deprotonated Tri-Alanine and Its a(3)(-) Fragment Anion by IR Spectroscopy

    NARCIS (Netherlands)

    Oomens, J.; Steill, J. D.

    2010-01-01

    We present the first infrared spectra of a mass-selected deprotonated peptide anion (AlaAlaAla) and its decarboxylated fragment anion formed by collision induced dissociation. Spectra are obtained by IRMPD spectroscopy using an FTICR mass spectrometer in combination with the free electron laser

  9. Nondestructive estimation of tracheid length from sections of radial wood strips by near infrared spectroscopy

    Science.gov (United States)

    Laurence R. Schimleck; P. David Jones; Gary F. Peter; F. Daniels; Alexander Clarklll

    2004-01-01

    The use of calibrated near infrared (NIR) spectroscopy for predicting tracheid length of Pinus taeda L. (loblolly pine) wood samples is described. Ten-mm sections of 14 P. taeda radial strips were selected and NIR spectra obtained from the radial longitudinal face of each section. The fibers in these sections were characterized in terms of arithmetic and length-...

  10. Screening Pinus taeda (loblolly pine) families for physical and mechanical properties using vibrational spectroscopy

    Science.gov (United States)

    Gifty E. Acquah; Brian K. Via; Lori G. Eckhardt

    2016-01-01

    In a bid to control the loblolly pine decline complex, stakeholders are using the selection and deployment of genetically superior families that are disease tolerant. It is vital that we do not compromise other important properties while breeding for disease tolerance. In this preliminary study, near infrared spectroscopy was utilized in conjunction with data collected...

  11. The study of the curing of the polyurethane coating by method of IR spectroscopy

    Directory of Open Access Journals (Sweden)

    N. A. Korshunova

    2016-12-01

    Full Text Available The results of the study of the curing process of polyurethane compositions with participation of two different catalysts by the method of IR spectroscopy are given. The time dependences of curing of polyurethane coatings from concentrations of catalysts were determined, on the basis of which the most effective catalyst was selected.

  12. In vivo 1H-spectroscopy of human intracranial tumors at 1.5 tesla. Preliminary experience at a clinical installation

    DEFF Research Database (Denmark)

    Henriksen, O; Wieslander, S; Gjerris, F

    1991-01-01

    Magnetic resonance spectroscopy (MRS) may contribute to the characterization of intracranial tumors in vivo. Volume selective water suppressed proton spectroscopy offers the possibility to study a number of metabolites in the brain including choline (CHO), creatinine/phosphocreatinine (CR/PCR), N....... However, further research is warranted before a definite conclusion can be drawn....

  13. In vivo 1H-spectroscopy of human intracranial tumors at 1.5 tesla. Preliminary experience at a clinical installation

    DEFF Research Database (Denmark)

    Henriksen, O; Wieslander, S; Gjerris, F

    1991-01-01

    Magnetic resonance spectroscopy (MRS) may contribute to the characterization of intracranial tumors in vivo. Volume selective water suppressed proton spectroscopy offers the possibility to study a number of metabolites in the brain including choline (CHO), creatinine/phosphocreatinine (CR/PCR), N...

  14. Raman Spectroscopy of Ocular Tissue

    Science.gov (United States)

    Ermakov, Igor V.; Sharifzadeh, Mohsen; Gellermann, Warner

    The optically transparent nature of the human eye has motivated numerous Raman studies aimed at the non-invasive optical probing of ocular tissue components critical to healthy vision. Investigations include the qualitative and quantitative detection of tissue-specific molecular constituents, compositional changes occurring with development of ocular pathology, and the detection and tracking of ocular drugs and nutritional supplements. Motivated by a better understanding of the molecular mechanisms leading to cataract formation in the aging human lens, a great deal of work has centered on the Raman detection of proteins and water content in the lens. Several protein groups and the hydroxyl response are readily detectable. Changes of protein compositions can be studied in excised noncataractous tissue versus aged tissue preparations as well as in tissue samples with artificially induced cataracts. Most of these studies are carried out in vitro using suitable animal models and conventional Raman techniques. Tissue water content plays an important role in optimum light transmission of the outermost transparent ocular structure, the cornea. Using confocal Raman spectroscopy techniques, it has been possible to non-invasively measure the water to protein ratio as a measure of hydration status and to track drug-induced changes of the hydration levels in the rabbit cornea at various depths. The aqueous humor, normally supplying nutrients to cornea and lens, has an advantageous anterior location for Raman studies. Increasing efforts are pursued to non-invasively detect the presence of glucose and therapeutic concentrations of antibiotic drugs in this medium. In retinal tissue, Raman spectroscopy proves to be an important tool for research into the causes of macular degeneration, the leading cause of irreversible vision disorders and blindness in the elderly. It has been possible to detect the spectral features of advanced glycation and advanced lipooxydation end products in

  15. Fourier Spectroscopy: A Bayesian Way

    Directory of Open Access Journals (Sweden)

    Stefan Schmuck

    2017-01-01

    Full Text Available The concepts of standard analysis techniques applied in the field of Fourier spectroscopy treat fundamental aspects insufficiently. For example, the spectra to be inferred are influenced by the noise contribution to the interferometric data, by nonprobed spatial domains which are linked to Fourier coefficients above a certain order, by the spectral limits which are in general not given by the Nyquist assumptions, and by additional parameters of the problem at hand like the zero-path difference. To consider these fundamentals, a probabilistic approach based on Bayes’ theorem is introduced which exploits multivariate normal distributions. For the example application, we model the spectra by the Gaussian process of a Brownian bridge stated by a prior covariance. The spectra themselves are represented by a number of parameters which map linearly to the data domain. The posterior for these linear parameters is analytically obtained, and the marginalisation over these parameters is trivial. This allows the straightforward investigation of the posterior for the involved nonlinear parameters, like the zero-path difference location and the spectral limits, and hyperparameters, like the scaling of the Gaussian process. With respect to the linear problem, this can be interpreted as an implementation of Ockham’s razor principle.

  16. Resonance ionization spectroscopy in dysprosium

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-11-15

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

  17. Measuring Gravitation Using Polarization Spectroscopy

    Science.gov (United States)

    Matsko, Andrey; Yu, Nan; Maleki, Lute

    2004-01-01

    A proposed method of measuring gravitational acceleration would involve the application of polarization spectroscopy to an ultracold, vertically moving cloud of atoms (an atomic fountain). A related proposed method involving measurements of absorption of light pulses like those used in conventional atomic interferometry would yield an estimate of the number of atoms participating in the interferometric interaction. The basis of the first-mentioned proposed method is that the rotation of polarization of light is affected by the acceleration of atoms along the path of propagation of the light. The rotation of polarization is associated with a phase shift: When an atom moving in a laboratory reference interacts with an electromagnetic wave, the energy levels of the atom are Doppler-shifted, relative to where they would be if the atom were stationary. The Doppler shift gives rise to changes in the detuning of the light from the corresponding atomic transitions. This detuning, in turn, causes the electromagnetic wave to undergo a phase shift that can be measured by conventional means. One would infer the gravitational acceleration and/or the gradient of the gravitational acceleration from the phase measurements.

  18. Fluorescence Spectroscopy in a Shoebox

    Science.gov (United States)

    Farooq Wahab, M.

    2007-08-01

    This article describes construction of a simple, inexpensive fluorometer. It utilizes a flashlight or sunlight source, highlighter marker ink, bowl of water with mirror as dispersing element, and colored cellophane sheets as filters. The human eye is used as a detector. This apparatus is used to demonstrate important concepts related to fluorescence spectroscopy. Using ink from a highlighter marker, one can demonstrate the difference between light scattering and fluorescence emission, the need for an intense light source, phenomenon of the Stokes shift, the choice of filters, the preferred geometry of excitation source and emission detector, and the low detection limits that can be achieved by fluorescence measurements. By reflecting the fluorescence emission from a compact disk, it can be seen that the light emitted by molecules is not monochromatic. Furthermore, a spectrofluorometer is constructed using gratings made from a DVD or a CD. The shoebox fluorometer and spectrofluorometer can serve as useful teaching aids in places where commercial instruments are not available, and it avoids the black box problem of modern instruments.

  19. INSTRUMENTATION FOR FAR INFRARED SPECTROSCOPY.

    Energy Technology Data Exchange (ETDEWEB)

    GRIFFITHS, P.R.; HOMES, C.

    2001-05-04

    Fourier transform spectrometers developed in three distinct spectral regions in the early 1960s. Pierre Connes and his coworkers in France developed remarkably sophisticated step-scan interferometers that permitted near-infrared spectra to be measured with a resolution of better than 0.0 1 cm{sup {minus}1}. These instruments may be considered the forerunners of the step-scan interferometers made by Bruker, Bio-Rad (Cambridge, MA, USA) and Nicolet although their principal application was in the field of astronomy. Low-resolution rapid-scanning interferometers were developed by Larry Mertz and his colleagues at Block Engineering (Cambridge, MA, USA) for remote sensing. Nonetheless, the FT-IR spectrometers that are so prevalent in chemical laboratories today are direct descendants of these instruments. The interferometers that were developed for far-infrared spectrometry in Gebbie's laboratory ,have had no commercial counterparts for at least 15 years. However, it could be argued that these instruments did as much to demonstrate the power of Fourier transform spectroscopy to the chemical community as any of the instruments developed for mid- and near-infrared spectrometry. Their performance was every bit as good as today's rapid-scanning interferometers. However, the market for these instruments is so small today that it has proved more lucrative to modify rapid-scanning interferometers that were originally designed for mid-infrared spectrometry than to compete with these instruments with slow continuous scan or step-scan interferometers.

  20. Photoelectron Spectroscopy Study of Quinonimides

    Energy Technology Data Exchange (ETDEWEB)

    Hossain, Ekram [The; Deng, Shihu M. [Physical; Gozem, Samer [Department; Krylov, Anna I. [Department; Wang, Xue-Bin [Physical; Wenthold, Paul G. [The

    2017-08-03

    Structures and energetics of o-, m- and p-quinonimide anions (OC6H4N) and quinoniminyl radicals have been investigated by using negative ion photoelectron spectroscopy. Modeling of the photoelectron spectrum of the ortho isomer shows that the ground state of the anion is a triplet, while the quinoniminyl radical has a doublet ground state with a doublet-quartet splitting of 35.5 kcal/mol. The para radical has doublet ground state, but a band for a quartet state is missing from the photoelectron spectrum indicating that the anion has a singlet ground state, in contrast to previously reported calculations. The theoretical modeling is revisited here, and it is shown that accurate predictions for the electronic structure of the para quinonimide anion require both an accurate account of electron correlation and a sufficiently diffuse basis set. Electron affinities of o- and p-quinoniminyl radicals are measured to be 1.715 ± 0.010 and 1.675 ± 0.010 eV, respectively. The photoelectron spectrum of the m-quinonimide anion shows that the ion undergoes several different rearrangements, including a rearrangement to the energetically favorable para isomer. Such rearrangements preclude a meaningful analysis of the experimental spectrum.