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Sample records for surface infrared spectroscopy

  1. Surface enhanced infrared spectroscopy using interacting gold nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Neubrech, Frank; Weber, Daniel; Pucci, Annemarie [Kirchhoff-Institut fuer Physik, Heidelberg (Germany); Shen, Hong [Universite Troyes, Troyes (France); Lamy de la Chapelle, Marc [Universite Paris 13, Bobigny (France)

    2009-07-01

    We performed surface enhanced infrared spectroscopy (SEIRS) of molecules adsorbed on gold nanowires using synchrotron light of the ANKA IR-beamline at the Forschungszentrum Karlsruhe (Germany). Arrays of gold nanowires with interparticle spacings down to 30nm were prepared by electron beam lithography. The interparticle distance was reduced further by wet-chemically increasing the size of the gold nanowires. The growth of the wires was proofed using IR spectroscopy as well as scanning electron microscopy. After this preparation step, appropriate arrays of nanowires with an interparticle distance down to a few nanometers were selected to demonstrate the surface enhanced infrared spectroscopy of one monolayer octadecanthiol (ODT). As know from SEIRS studies using single gold nanowires, the spectral position of the antenna-like resonance in relation to the absorption bands of ODT (2850cm-1 and 2919cm-1) is crucial for both, the lineshape of the molecular vibration and the signal enhancement. In contrast to single nanowires studies, a further increase of the enhanced signals is expected due to the interaction of the electromagnetic fields of the close-by nanowires.

  2. Infrared spectroscopy of molecular submonolayers on surfaces by infrared scanning tunneling microscopy: tetramantane on Au111.

    Science.gov (United States)

    Pechenezhskiy, Ivan V; Hong, Xiaoping; Nguyen, Giang D; Dahl, Jeremy E P; Carlson, Robert M K; Wang, Feng; Crommie, Michael F

    2013-09-20

    We have developed a new scanning-tunneling-microscopy-based spectroscopy technique to characterize infrared (IR) absorption of submonolayers of molecules on conducting crystals. The technique employs a scanning tunneling microscope as a precise detector to measure the expansion of a molecule-decorated crystal that is irradiated by IR light from a tunable laser source. Using this technique, we obtain the IR absorption spectra of [121]tetramantane and [123]tetramantane on Au(111). Significant differences between the IR spectra for these two isomers show the power of this new technique to differentiate chemical structures even when single-molecule-resolved scanning tunneling microscopy (STM) images look quite similar. Furthermore, the new technique was found to yield significantly better spectral resolution than STM-based inelastic electron tunneling spectroscopy, and to allow determination of optical absorption cross sections. Compared to IR spectroscopy of bulk tetramantane powders, infrared scanning tunneling microscopy (IRSTM) spectra reveal narrower and blueshifted vibrational peaks for an ordered tetramantane adlayer. Differences between bulk and surface tetramantane vibrational spectra are explained via molecule-molecule interactions.

  3. Surface Composition of Trojan Asteroids from Thermal-Infrared Spectroscopy

    Science.gov (United States)

    Martin, A.; Emery, J. P.; Lindsay, S. S.

    2017-12-01

    Asteroid origins provide an effective means of constraining the events that dynamically shaped the solar system. Jupiter Trojan asteroids (hereafter Trojans) may help in determining the extent of radial mixing that occurred during giant planet migration. Previous studies aimed at characterizing surface composition show that Trojans have low albedo surfaces and fall into two distinct spectral groups the near infrared (NIR). Though, featureless in this spectral region, NIR spectra of Trojans either exhibit a red or less-red slope. Typically, red-sloped spectra are associated with organics, but it has been shown that Trojans are not host to much, if any, organic material. Instead, the red slope is likely due to anhydrous silicates. The thermal infrared (TIR) wavelength range has advantages for detecting silicates on low albedo asteroids such as Trojans. The 10 µm region exhibits strong features due to the Si-O fundamental molecular vibrations. We hypothesize that the two Trojan spectral groups have different compositions (silicate mineralogy). With TIR spectra from the Spitzer Space Telescope, we identify mineralogical features from the surface of 11 Trojan asteroids, five red and six less-red. Preliminary results from analysis of the 10 µm region indicate red-sloped Trojans have a higher spectral contrast compared to less-red-sloped Trojans. Fine-grain mixtures of crystalline pyroxene and olivine exhibit a 10 µm feature with sharp cutoffs between about 9 µm and 12 µm, which create a broad flat plateau. Amorphous phases, when present, smooth the sharp emission features, resulting in a dome-like shape. Further spectral analysis in the 10 µm, 18 µm, and 30 µm band region will be performed for a more robust analysis. If all Trojans come from the same region, it is expected that they share spectral and compositional characteristics. Therefore, if spectral analysis in the TIR reinforce the NIR spectral slope dichotomy, it is likely that Trojans were sourced from

  4. Atmospheric and surface properties of Mars obtained by infrared spectroscopy on Mariner 9

    Science.gov (United States)

    Conrath, B.; Curran, R.; Hanel, R.; Kunde, V.; Maguire, W.; Pearl, J.; Pirraglia, J.; Welker, J.; Burke, T.

    1973-01-01

    The infrared spectroscopy experiment on Mariner 9 obtained data over much of Mars. Interpretation of the thermal emission of Mars in terms of atmospheric temperatures, wind fields and dynamics, surface temperatures, surface pressure and topography, mineral composition, and minor atmospheric constituents including isotopic ratios, as well as a search for unexpected phenomena are reported.

  5. Characterization of Modified and Polymer Coated Alumina Surfaces by Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Ashraf Yehia El-Naggar

    2013-01-01

    Full Text Available The prepared, modified, and coated alumina surfaces were characterized by infrared spectroscopy (FTIR to investigate the surface properties of the individual and double modified samples. FTIR helps in reporting the changes occurred in hydroxyl groups as well as the structure changes as a result of thermal treating, hydrothermal treating, silylation treating, alkali metal treating, coating, and bonding with polymer. FTIR spectroscopy represents the strength and abundance of surface acidic OH which determine the adsorption properties of polar and nonpolar sorbents. Generally, all treated samples exhibit decrease of OH groups compared with those of parent ones producing alumina surfaces of different adsorptive powers.

  6. Surface enhanced infrared absorption spectroscopy for graphene functionalization on copper

    Czech Academy of Sciences Publication Activity Database

    Matulková, I.; Kovaříček, Petr; Šlouf, Miroslav; Němec, I.; Kalbáč, Martin

    2017-01-01

    Roč. 124, NOV 2017 (2017), s. 250-255 ISSN 0008-6223 R&D Projects: GA ČR(CZ) GA15-01953S; GA MŠk LL1301; GA MŠk(CZ) LM2015073 Grant - others:AVČR PPPLZ(CZ) L200401551; GA MŠk(CZ) CZ.02.1.01/0.0/0.0/16_013/0001821 Institutional support: RVO:61388955 ; RVO:61389013 Keywords : chemical-vapor-deposition * diazonium salts * raman-spectroscopy * covalent functionalization * seira spectroscopy * grown graphene Subject RIV: CF - Physical ; Theoretical Chemistry; CD - Macromolecular Chemistry (UMCH-V) OBOR OECD: Physical chemistry; Polymer science (UMCH-V) Impact factor: 6.337, year: 2016

  7. Surface analysis by Fourier-transform infrared (FTIR) spectroscopy

    International Nuclear Information System (INIS)

    Powell, G.L.; Smyrl, N.R.; Fuller, E.L.

    1981-01-01

    A diffuse-reflectance capability for the Fourier transform infrared spectrometer at the Y-12 Plant Laboratory has been implemented. A sample cell with a 25 to 400 0 C temperature-controlled sample stage and an ultrahigh-vacuum-to-atmospheric pressure gas-handling capability has been developed. Absorbance of light from the spectrometer beam, resulting from the beam being scattered from a powder sample, can be measured. This capability of detecting molecular species on and in powders is to be used to study chemisorption on actinide and rare-earth metals, alloys, and compounds. Cell design is described along with experiments demonstrating its performance in detecting moisture absorption on uranium oxide, moisture and carbon dioxide absorption on the lithium hydride/hydroxide system, and carbon dioxide absorption on potassium borohydride. 13 figures

  8. Headspace analysis gas-phase infrared spectroscopy: a study of xanthate decomposition on mineral surfaces

    Science.gov (United States)

    Vreugdenhil, Andrew J.; Brienne, Stephane H. R.; Markwell, Ross D.; Butler, Ian S.; Finch, James A.

    1997-03-01

    The O-ethyldithiocarbonate (ethyl xanthate, CH 3CH 2OCS -2) anion is a widely used reagent in mineral processing for the separation of sulphide minerals by froth flotation. Ethyl xanthate interacts with mineral powders to produce a hydrophobic layer on the mineral surface. A novel infrared technique, headspace analysis gas-phase infrared spectroscopy (HAGIS) has been used to study the in situ thermal decomposition products of ethyl xanthate on mineral surfaces. These products include CS 2, COS, CO 2, CH 4, SO 2, and higher molecular weight alkyl-containing species. Decomposition pathways have been proposed with some information determined from 2H- and 13C-isotope labelling experiments.

  9. [A method of temperature measurement for hot forging with surface oxide based on infrared spectroscopy].

    Science.gov (United States)

    Zhang, Yu-cun; Qi, Yan-de; Fu, Xian-bin

    2012-05-01

    High temperature large forging is covered with a thick oxide during forging. It leads to a big measurement data error. In this paper, a method of measuring temperature based on infrared spectroscopy is presented. It can effectively eliminate the influence of surface oxide on the measurement of temperature. The method can measure the surface temperature and emissivity of the oxide directly using the infrared spectrum. The infrared spectrum is radiated from surface oxide of forging. Then it can derive the real temperature of hot forging covered with the oxide using the heat exchange equation. In order to greatly restrain interference spectroscopy through included in the received infrared radiation spectrum, three interference filter system was proposed, and a group of optimal gap parameter values using spectral simulation were obtained. The precision of temperature measurement was improved. The experimental results show that the method can accurately measure the surface temperature of high temperature forging covered with oxide. It meets the requirements of measurement accuracy, and the temperature measurement method is feasible according to the experiment result.

  10. Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chen Li [Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, Goettingen (Germany); Ueta, Hirokazu; Beck, Rainer D. [Laboratoire de Chimie Physique Moleculaire, Ecole Polytechnique Federale de Lausanne (Switzerland); Bisson, Regis [Aix-Marseille Universite, PIIM, CNRS, UMR 7345, 13397 Marseille (France)

    2013-05-15

    We report the design and characterization of a new molecular-beam/surface-science apparatus for quantum state-resolved studies of gas/surface reaction dynamics combining optical state-specific reactant preparation in a molecular beam by rapid adiabatic passage with detection of surface-bound reaction products by reflection absorption infrared spectroscopy (RAIRS). RAIRS is a non-invasive infrared spectroscopic detection technique that enables online monitoring of the buildup of reaction products on the target surface during reactant deposition by a molecular beam. The product uptake rate obtained by calibrated RAIRS detection yields the coverage dependent state-resolved reaction probability S({theta}). Furthermore, the infrared absorption spectra of the adsorbed products obtained by the RAIRS technique provide structural information, which help to identify nascent reaction products, investigate reaction pathways, and determine branching ratios for different pathways of a chemisorption reaction. Measurements of the dissociative chemisorption of methane on Pt(111) with this new apparatus are presented to illustrate the utility of RAIRS detection for highly detailed studies of chemical reactions at the gas/surface interface.

  11. Study on the surface hydroxyl group on solid breeding materials by infrared absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Satoru; Taniguchi, Masaki [Tokyo Univ. (Japan). Faculty of Engineering

    1996-10-01

    Hydroxyl groups on the surface of Li{sub 2}O were studied by using a diffuse reflectance method with Fourier transform infrared absorption spectroscopy at high temperature up to 973K under controlled D{sub 2}O or D{sub 2} partial pressure. It was found that hydroxyl groups could exist on Li{sub 2}O surface up to 973K under Ar atmosphere. Under D{sub 2}O containing atmosphere, only the sharp peak at 2520cm{sup -1} was observed at 973K in the O-D stretching vibration region. Below 973K, multiple peaks due to the surface -OD were observed and they showed different behavior with temperature or atmosphere. Multiple peaks mean that surface is not homogeneous for D{sub 2}O adsorption. Assignment of the observed peaks to the surface bonding structure was also discussed. (author)

  12. Nanoantennas for surface enhanced infrared spectroscopy: Effects of interaction and higher order resonant excitations

    Directory of Open Access Journals (Sweden)

    J. Aizpurua

    2011-09-01

    Full Text Available The sensitivity in surface enhanced infrared spectroscopy (SEIRS strongly depends on where the resonant excitation is spectrally located compared to the molecular vibration that is to be enhanced. In this contribution, we study the effect of coupling in the electromagnetic properties of 2D gold nanorod arrays in the IR. We also study the SEIRS activity of higher order resonant excitations in long nanoantennas to identify polaritonic signals of a supporting SiO2 layer with nanometer thickness (3 nm on a silicon substrate.

  13. Infrared spectroscopy of one-dimensional metallic nanostructures on silicon vicinal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Hoang, Chung Vu

    2010-06-23

    Vicinal silicon(111) surfaces are used as templates for the growth of lead nanowires as well as gold and indium atom chains. The morphology of the Au atom chains was studied by use of Scanning Tunneling Microscopy (STM) and Reflection High Energy Electron Diffraction (RHEED). The In chains were investigated by infrared spectroscopy with the electrical field component of the IR light polarized either parallel or perpendicular to the wires. It is shown that at room temperature, In atom-chains display a plasmonic absorption feature along the chain but not in the perpendicular direction. Furthermore, upon cooling down to liquid nitrogen temperature, a metal to insulator transition is observed. A structural distortion is also confirmed by RHEED. As for the result of Pb nanowires, by means of infrared spectroscopy, it is now possible to control the average length of parallel nanowire arrays by monitoring four experimental parameters that influence on the nucleation density; namely: Pb coverage, evaporation rate, substrate temperature and the surface itself. The system shows an enhancement of the absorption at the antenna frequency in the low temperature regime. This scenario is assigned to the reduction of electron-phonon scattering due to low temperature. (orig.)

  14. Infrared spectroscopy of one-dimensional metallic nanostructures on silicon vicinal surfaces

    International Nuclear Information System (INIS)

    Hoang, Chung Vu

    2010-01-01

    Vicinal silicon(111) surfaces are used as templates for the growth of lead nanowires as well as gold and indium atom chains. The morphology of the Au atom chains was studied by use of Scanning Tunneling Microscopy (STM) and Reflection High Energy Electron Diffraction (RHEED). The In chains were investigated by infrared spectroscopy with the electrical field component of the IR light polarized either parallel or perpendicular to the wires. It is shown that at room temperature, In atom-chains display a plasmonic absorption feature along the chain but not in the perpendicular direction. Furthermore, upon cooling down to liquid nitrogen temperature, a metal to insulator transition is observed. A structural distortion is also confirmed by RHEED. As for the result of Pb nanowires, by means of infrared spectroscopy, it is now possible to control the average length of parallel nanowire arrays by monitoring four experimental parameters that influence on the nucleation density; namely: Pb coverage, evaporation rate, substrate temperature and the surface itself. The system shows an enhancement of the absorption at the antenna frequency in the low temperature regime. This scenario is assigned to the reduction of electron-phonon scattering due to low temperature. (orig.)

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

    KAUST Repository

    D'Andrea, Cristiano

    2013-04-23

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

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

    KAUST Repository

    D'Andrea, Cristiano; Bochterle, Jö rg; Toma, Andrea; Huck, Christian W.; Neubrech, Frank; Messina, Elena; Fazio, Barbara; Maragó , Onofrio M.; Di Fabrizio, Enzo M.; Lamy De La Chapelle, Marc L.; Gucciardi, Pietro Giuseppe; Pucci, Annemarie

    2013-01-01

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

  17. Periodic array-based substrates for surface-enhanced infrared spectroscopy

    Science.gov (United States)

    Mayerhöfer, Thomas G.; Popp, Jürgen

    2018-01-01

    At the beginning of the 1980s, the first reports of surface-enhanced infrared spectroscopy (SEIRS) surfaced. Probably due to signal-enhancement factors of only 101 to 103, which are modest compared to those of surface-enhanced Raman spectroscopy (SERS), SEIRS did not reach the same significance up to date. However, taking the compared to Raman scattering much larger cross-sections of infrared absorptions and the enhancement factors together, SEIRS reaches about the same sensitivity for molecular species on a surface in terms of the cross-sections as SERS and, due to the complementary nature of both techniques, can valuably augment information gained by SERS. For the first 20 years since its discovery, SEIRS relied completely on metal island films, fabricated by either vapor or electrochemical deposition. The resulting films showed a strong variance concerning their structure, which was essentially random. Therefore, the increase in the corresponding signal-enhancement factors of these structures stagnated in the last years. In the very same years, however, the development of periodic array-based substrates helped SEIRS to gather momentum. This development was supported by technological progress concerning electromagnetic field solvers, which help to understand plasmonic properties and allow targeted design. In addition, the strong progress concerning modern fabrication methods allowed to implement these designs into practice. The aim of this contribution is to critically review the development of these engineered surfaces for SEIRS, to compare the different approaches with regard to their performance where possible, and report further gain of knowledge around and in relation to these structures.

  18. Estimation of muscle fatigue using surface electromyography and near-infrared spectroscopy.

    Science.gov (United States)

    Taelman, Joachim; Vanderhaegen, Joke; Robijns, Mieke; Naulaers, Gunnar; Spaepen, Arthur; Van Huffel, Sabine

    2011-01-01

    This study looks at various parameters, derived from surface electromyography (sEMG) and Near Infrared Spectroscopy (NIRS) and their relationship in muscle fatigue during a static elbow flexion until exhaustion as well as during a semidynamic exercise.We found a linear increasing trend for a corrected amplitude parameter and a linear decreasing slope for the frequency content of the sEMG signal. The tissue oxygenation index (TOI) extracted from NIRS recordings showed a four-phase response for all the subjects. A strong correlation between frequency content of the sEMG signal and TOI was established. We can conclude that both sEMG and NIRS give complementary information concerning muscle fatigue.

  19. Diamond-coated ATR prism for infrared absorption spectroscopy of surface-modified diamond nanoparticles

    Science.gov (United States)

    Remes, Z.; Kozak, H.; Rezek, B.; Ukraintsev, E.; Babchenko, O.; Kromka, A.; Girard, H. A.; Arnault, J.-C.; Bergonzo, P.

    2013-04-01

    Linear antenna microwave chemical vapor deposition process was used to homogeneously coat a 7 cm long silicon prism by 85 nm thin nanocrystalline diamond (NCD) layer. To show the advantages of the NCD-coated prism for attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) of nanoparticles, we apply diamond nanoparticles (DNPs) of 5 nm nominal size with various surface modifications by a drop-casting of their methanol dispersions. ATR-FTIR spectra of as-received, air-annealed, plasma-oxidized, and plasma-hydrogenated DNPs were measured in the 4000-1500 cm-1 spectral range. The spectra show high spectral resolution, high sensitivity to specific DNP surface moieties, and repeatability. The NCD coating provides mechanical protection against scratching and chemical stability of the surface. Moreover, unlike on bare Si surface, NCD hydrophilic properties enable optically homogeneous coverage by DNPs with some aggregation on submicron scale as evidenced by scanning electron microscopy and atomic force microscopy. Compared to transmission FTIR regime with KBr pellets, direct and uniform deposition of DNPs on NCD-ATR prism significantly simplifies and speeds up the analysis (from days to minutes). We discuss prospects for in situ monitoring of surface modifications and molecular grafting.

  20. Diamond-coated ATR prism for infrared absorption spectroscopy of surface-modified diamond nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Remes, Z., E-mail: remes@fzu.cz [Institute of Physics of the ASCR, v.v.i., Cukrovarnicka 10, Praha 6 (Czech Republic); Kozak, H.; Rezek, B.; Ukraintsev, E.; Babchenko, O.; Kromka, A. [Institute of Physics of the ASCR, v.v.i., Cukrovarnicka 10, Praha 6 (Czech Republic); Girard, H.A.; Arnault, J.-C.; Bergonzo, P. [CEA, LIST, Diamond Sensors Laboratory, F-91191 Gif-sur-Yvette (France)

    2013-04-01

    Linear antenna microwave chemical vapor deposition process was used to homogeneously coat a 7 cm long silicon prism by 85 nm thin nanocrystalline diamond (NCD) layer. To show the advantages of the NCD-coated prism for attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) of nanoparticles, we apply diamond nanoparticles (DNPs) of 5 nm nominal size with various surface modifications by a drop-casting of their methanol dispersions. ATR-FTIR spectra of as-received, air-annealed, plasma-oxidized, and plasma-hydrogenated DNPs were measured in the 4000–1500 cm{sup −1} spectral range. The spectra show high spectral resolution, high sensitivity to specific DNP surface moieties, and repeatability. The NCD coating provides mechanical protection against scratching and chemical stability of the surface. Moreover, unlike on bare Si surface, NCD hydrophilic properties enable optically homogeneous coverage by DNPs with some aggregation on submicron scale as evidenced by scanning electron microscopy and atomic force microscopy. Compared to transmission FTIR regime with KBr pellets, direct and uniform deposition of DNPs on NCD-ATR prism significantly simplifies and speeds up the analysis (from days to minutes). We discuss prospects for in situ monitoring of surface modifications and molecular grafting.

  1. Infrared spectroscopy and density functional theory investigation of calcite, chalk, and coccoliths-do we observe the mineral surface?

    DEFF Research Database (Denmark)

    Andersson, Martin Peter; Hem, Caroline Piper; Schultz, Logan Nicholas

    2014-01-01

    broadening from macroscopic dielectric effects. We detect water adsorbed on the high surface area synthetic calcite, which permits observation of the chemistry of thin liquid films on calcite using transmission infrared spectroscopy. The combination of infrared spectroscopy and density functional theory also...... asymmetric for the coccoliths and the synthetic calcite prepared using the carbonation method. It can be very well fitted by two peaks: a narrow Lorenzian at lower frequency and a broader Gaussian at higher frequency. These two samples both have a high specific surface area. Density functional theory...

  2. Infrared and Raman spectroscopy on synthetic glasses as analogues of planetary surfaces.

    Science.gov (United States)

    Weber, Iris; Morlok, Andreas; Klemme, Stephan; Dittmer, Isabelle; Stojic, Aleksandra N.; Hiesinger, Harald; Sohn, Martin; Helbert, Jörn

    2015-04-01

    One of the fundamental aims of space mission is to understand the physical, chemical, and geologic processes and conditions of planetary formation and evolution. For this purpose, it is important to investigate analog material to correctly interpret the returned spacecraft data, including the spectral information from remote planetary surfaces. For example, mid-infrared spectroscopy provides detailed information on the mineralogical compositions of planetary surfaces via remote sensing. Data is affected by numerous factors such as grain size, illumination geometry, space weathering, and temperature. These features need to be systematically investigated on analog material in terrestrial laboratories in order to understand the mineralogy/composition of a planetary surface. In addition, Raman spectroscopy allows non-destructive analyses of planetary surfaces in the case of a landing mission. Our work at the IRIS (Infrared spectroscopy for Interplanetary Studies) laboratory at the Institut für Planetologie produces spectra for a database of the ESA/JAXA BepiColombo mission to Mercury. Onboard is a mid-infrared spectrometer (MERTIS-Mercury Radiometer and Thermal Infrared Spectrometer). This unique instrument allows us to map spectral features in the 7-14 µm range, with a spatial resolution of ~500 m [1-5]. Comparably, using our Raman spectrometer, we are continuously contributing to the Raman database for upcoming mission, e.g., the Raman Laser Spectrometer (RLS) onboard of ExoMars [6]. Material on the surface of Mercury and the other terrestrial bodies was exposed to heavy impact cratering [4]. Depending on the P/T conditions during the impact, minerals on planetary surfaces can react with the formation of glassy material. Thus, understanding the effects of impact shock and heat on the mineral structure and the resulting corresponding change in the spectral properties is of high interest for the MERTIS project. Here, we present spectral information on the first glass

  3. Infrared photothermal imaging spectroscopy for detection of trace explosives on surfaces.

    Science.gov (United States)

    Kendziora, Christopher A; Furstenberg, Robert; Papantonakis, Michael; Nguyen, Viet; Byers, Jeff; Andrew McGill, R

    2015-11-01

    We are developing a technique for the standoff detection of trace explosives on relevant substrate surfaces using photothermal infrared (IR) imaging spectroscopy (PT-IRIS). This approach leverages one or more compact IR quantum cascade lasers, which are tuned to strong absorption bands in the analytes and directed to illuminate an area on a surface of interest. An IR focal plane array is used to image the surface and detect increases in thermal emission upon laser illumination. The PT-IRIS signal is processed as a hyperspectral image cube comprised of spatial, spectral, and temporal dimensions as vectors within a detection algorithm. The ability to detect trace analytes at standoff on relevant substrates is critical for security applications but is complicated by the optical and thermal analyte/substrate interactions. This manuscript describes a series of PT-IRIS experimental results and analysis for traces of RDX, TNT, ammonium nitrate, and sucrose on steel, polyethylene, glass, and painted steel panels. We demonstrate detection at surface mass loadings comparable with fingerprint depositions ( 10μg/cm2 to 100μg/cm2) from an area corresponding to a single pixel within the thermal image.

  4. Evaluation of light detector surface area for functional Near Infrared Spectroscopy.

    Science.gov (United States)

    Wang, Lei; Ayaz, Hasan; Izzetoglu, Meltem; Onaral, Banu

    2017-10-01

    Functional Near Infrared Spectroscopy (fNIRS) is an emerging neuroimaging technique that utilizes near infrared light to detect cortical concentration changes of oxy-hemoglobin and deoxy-hemoglobin non-invasively. Using light sources and detectors over the scalp, multi-wavelength light intensities are recorded as time series and converted to concentration changes of hemoglobin via modified Beer-Lambert law. Here, we describe a potential source for systematic error in the calculation of hemoglobin changes and light intensity measurements. Previous system characterization and analysis studies looked into various fNIRS parameters such as type of light source, number and selection of wavelengths, distance between light source and detector. In this study, we have analyzed the contribution of light detector surface area to the overall outcome. Results from Monte Carlo based digital phantoms indicated that selection of detector area is a critical system parameter in minimizing the error in concentration calculations. The findings here can guide the design of future fNIRS sensors. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Electrooxidation of ethanol on Pt and PtRu surfaces investigated by ATR surface-enhanced infrared absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Marcio F.; Camara, Giuseppe A., E-mail: giuseppe.silva@ufms.br [Departamento de Quimica, Universidade Federal do Mato Grosso do Sul, Campo Grande-MS (Brazil); Batista, Bruno C.; Boscheto, Emerson [Instituto de Quimica de Sao Carlos, Universidade de Sao Paulo, Sao Carlos-SP, (Brazil); Varela, Hamilton, E-mail: varela@iqsc.usp.br [Ertl Center for Electrochemistry and Catalysis, Gwangju Institute of Science and Technology (GIST), Gwangju (Korea, Republic of)

    2012-05-15

    Herein, it was investigated for the first time the electro-oxidation of ethanol on Pt and PtRu electrodeposits in acidic media by using in situ surface enhanced infrared absorption spectroscopy with attenuated total reflection (ATR-SEIRAS). The experimental setup circumvents the weak absorbance signals related to adsorbed species, usually observed for rough, electrodeposited surfaces, and allows a full description of the CO coverage with the potential for both catalysts. The dynamics of adsorption-oxidation of CO was accessed by ATR-SEIRAS experiments (involving four ethanol concentrations) and correlated with expressions derived from a simple kinetic model. Kinetic analysis suggests that the growing of the CO adsorbed layer is nor influenced by the presence of Ru neither by the concentration of ethanol. The results suggest that the C-C scission is not related to the presence of Ru and probably happens at Pt sites. (author)

  6. 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.

  7. Surface reactions during atomic layer deposition of Pt derived from gas phase infrared spectroscopy

    NARCIS (Netherlands)

    Kessels, W.M.M.; Knoops, H.C.M.; Dielissen, S.A.F.; Mackus, A.J.M.; Sanden, van de M.C.M.

    2009-01-01

    Infrared spectroscopy was used to obtain absolute number information on the reaction products during atomic layer deposition of Pt from (methylcyclopentadienyl)trimethylplatinum [(MeCp)PtMe3] and O2. From the detection of CO2 and H2O it was established that the precursor ligands are oxidatively

  8. Surface chemistry of plasma-assisted atomic layer deposition of Al2O3 studied by infrared spectroscopy

    NARCIS (Netherlands)

    Langereis, E.; Keijmel, J.; Sanden, van de M.C.M.; Kessels, W.M.M.

    2008-01-01

    The surface groups created during plasma-assisted atomic layer deposition (ALD) of Al2O3 were studied by infrared spectroscopy. For temperatures in the range of 25–150 °C, –CH3 and –OH were unveiled as dominant surface groups after the Al(CH3)3precursor and O2 plasma half-cycles, respectively. At

  9. Acid Aging Effects on Surfaces of PTFE Gaskets Investigated by Fourier Transform Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    L. Giorgini

    2016-09-01

    Full Text Available This paper investigates the effect of a prolonged acid and thermal attack, on the surface of PTFE by Fourier Transform Infrared Micro-Spectroscopy (FT-IR. The materials are commercialized by two alternative producers in form of Teflon tapes. These tapes are installed in process plants where tires moulds are cleaned inside a multistage ultrasonic process. In these cases, Teflon tapes, having a role of gaskets, show inexplicably phenomena of degradation in relatively short operation periods. Even considering that these gaskets are exposed to the combined effect of ultrasonic waves, temperature, humidity and acid attack, the PTFE properties of resistance nominally exclude the possibility of these severe erosion phenomena. An interesting explanation can be related to the potential presence in the cleaning solution, mainly based on sulfamic acid, of highly reactive chemical compounds, as chlorides and fluorides, originated by the disaggregation of elements from the tire composition and/or additives used as processing aids and/or by catalytic effect generated by fluorine produced by PTFE degradation. In general, up to 300 different chemical elements, both organic and inorganic, natural and synthetic, are merged in a tire. Since this composition is practically unknown, especially regarding additives and “unusual elements”, representing a secrecy of each tire manufactures, it is really complex to define the chemical composition of the cleaning solution with an appropriate precision. As a consequence, the gaskets have been treated with different mixtures of acids in the way to combine a larger range of possibilities. Thus, the FT-IR experimental characterization of PTFE surface properties followed an appropriate accelerated aging, aiming at actuating the specific mechanics of wearing as in industrial use. The different acid treatments adopted for accelerating the aging of gaskets have highlighted the different behaviour of the PTFE matrix, but

  10. Disposable attenuated total reflection-infrared crystals from silicon wafer: a versatile approach to surface infrared spectroscopy.

    Science.gov (United States)

    Karabudak, Engin; Kas, Recep; Ogieglo, Wojciech; Rafieian, Damon; Schlautmann, Stefan; Lammertink, R G H; Gardeniers, Han J G E; Mul, Guido

    2013-01-02

    Attenuated total reflection-infrared (ATR-IR) spectroscopy is increasingly used to characterize solids and liquids as well as (catalytic) chemical conversion. Here we demonstrate that a piece of silicon wafer cut by a dicing machine or cleaved manually can be used as disposable internal reflection element (IRE) without the need for polishing and laborious edge preparation. Technical aspects, fundamental differences, and pros and cons of these novel disposable IREs and commercial IREs are discussed. The use of a crystal (the Si wafer) in a disposable manner enables simultaneous preparation and analysis of substrates and application of ATR spectroscopy in high temperature processes that may lead to irreversible interaction between the crystal and the substrate. As representative application examples, the disposable IREs were used to study high temperature thermal decomposition and chemical changes of polyvinyl alcohol (PVA) in a titania (TiO(2)) matrix and assemblies of 65-450 nm thick polystyrene (PS) films.

  11. Correlation analysis between surface electromyography and continuous-wave near-infrared spectroscopy parameters during isometric exercise to volitional fatigue

    OpenAIRE

    ŞAYLİ, Ömer; AKIN, Ata; ÇOTUK, Hasan Birol

    2014-01-01

    In this study, the process of muscular fatigue was examined using surface electromyography (sEMG) and continuous-wave near-infrared spectroscopy (cw-NIRS) simultaneously during an isometric hand grip exercise at 50% and 75% of the maximal voluntary contraction (MVC), sustained until volitional fatigue. The mean frequency of the sEMG decreased during the whole exercise, whereas the root mean square had a tendency to increase. Oxyhemoglobin/deoxyhemoglobin concentration changes computed ...

  12. Analysis of bacteria on steel surfaces using reflectance micro-Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Ojeda, Jesús J; Romero-González, María E; Banwart, Steven A

    2009-08-01

    Reflectance micro-Fourier transform infrared (FT-IR) analysis has been applied to characterize biofilm formation of Aquabacterium commune, a common microorganism present on drinking water distribution systems, onto the increasingly popular pipe material stainless steel EN1.4307. The applicability of the reflectance micro-FT-IR technique for analyzing the bacterial functional groups is discussed, and the results are compared to spectra obtained using more conventional FT-IR techniques: transmission micro-FT-IR, attenuated transmitted reflectance (ATR), and KBr pellets. The differences between the infrared spectra of wet and dried bacteria, as well as free versus attached bacteria, are also discussed. The spectra obtained using reflectance micro-FT-IR spectroscopy were comparable to those obtained using other FT-IR techniques. The absence of sample preparation, the potential to analyze intact samples, and the ability to characterize opaque and thick samples without the need to transfer the bacterial samples to an infrared transparent medium or produce a pure culture were the main advantages of reflectance micro-FT-IR spectroscopy.

  13. Transient Infrared Emission Spectroscopy

    Science.gov (United States)

    Jones, Roger W.; McClelland, John F.

    1989-12-01

    Transient Infrared Emission Spectroscopy (TIRES) is a new technique that reduces the occurrence of self-absorption in optically thick solid samples so that analytically useful emission spectra may be observed. Conventional emission spectroscopy, in which the sample is held at an elevated, uniform temperature, is practical only for optically thin samples. In thick samples the emission from deep layers of the material is partially absorbed by overlying layers.1 This self-absorption results in emission spectra from most optically thick samples that closely resemble black-body spectra. The characteristic discrete emission bands are severely truncated and altered in shape. TIRES bypasses this difficulty by using a laser to heat only an optically thin surface layer. The increased temperature of the layer is transient since the layer will rapidly cool and thicken by thermal diffusion; hence the emission collection must be correlated with the laser heating. TIRES may be done with both pulsed and cw lasers.2,3 When a pulsed laser is used, the spectrometer sampling must be synchronized with the laser pulsing so that only emission during and immediately after each laser pulse is observed.3 If a cw laser is used, the sample must move rapidly through the beam. The hot, transient layer is then in the beam track on the sample at and immediately behind the beam position, so the spectrometer field of view must be limited to this region near the beam position.2 How much self-absorption the observed emission suffers depends on how thick the heated layer has grown by thermal diffusion when the spectrometer samples the emission. Use of a pulsed laser synchronized with the spectrometer sampling readily permits reduction of the time available for heat diffusion to about 100 acs .3 When a cw laser is used, the heat-diffusion time is controlled by how small the spectrometer field of view is and by how rapidly the sample moves past within this field. Both a very small field of view and a

  14. Hydrogen, oxygen and hydroxyl on porous silicon surface: A joint density-functional perturbation theory and infrared spectroscopy approach

    International Nuclear Information System (INIS)

    Alfaro, Pedro; Palavicini, Alessio; Wang, Chumin

    2014-01-01

    Based on the density functional perturbation theory (DFPT), infrared absorption spectra of porous silicon are calculated by using an ordered pore model, in which columns of silicon atoms are removed along the [001] direction and dangling bonds are initially saturated with hydrogen atoms. When these atoms on the pore surface are gradually replaced by oxygen ones, the ab-initio infrared absorption spectra reveal oxygen, hydroxyl, and coupled hydrogen–oxygen vibrational modes. In a parallel way, freestanding porous silicon samples were prepared by using electrochemical etching and they were further thermally oxidized in a dry oxygen ambient. Fourier transform infrared spectroscopy was used to investigate the surface modifications caused by oxygen adsorption. In particular, the predicted hydroxyl and oxygen bound to the silicon pore surface are confirmed. Finally, a global analysis of measured transmittance spectra has been performed by means of a combined DFPT and thin-film optics approach. - Highlights: • The density functional perturbation theory is used to study infrared absorption. • An ordered pore model is used to investigate the oxidation in porous silicon (PSi). • Infrared transmittance spectra of oxidized PSi freestanding samples are measured

  15. Highly doped semiconductor plasmonic nanoantenna arrays for polarization selective broadband surface-enhanced infrared absorption spectroscopy of vanillin

    Science.gov (United States)

    Barho, Franziska B.; Gonzalez-Posada, Fernando; Milla, Maria-Jose; Bomers, Mario; Cerutti, Laurent; Tournié, Eric; Taliercio, Thierry

    2017-11-01

    Tailored plasmonic nanoantennas are needed for diverse applications, among those sensing. Surface-enhanced infrared absorption (SEIRA) spectroscopy using adapted nanoantenna substrates is an efficient technique for the selective detection of molecules by their vibrational spectra, even in small quantity. Highly doped semiconductors have been proposed as innovative materials for plasmonics, especially for more flexibility concerning the targeted spectral range. Here, we report on rectangular-shaped, highly Si-doped InAsSb nanoantennas sustaining polarization switchable longitudinal and transverse plasmonic resonances in the mid-infrared. For small array periodicities, the highest reflectance intensity is obtained. Large periodicities can be used to combine localized surface plasmon resonances (SPR) with array resonances, as shown in electromagnetic calculations. The nanoantenna arrays can be efficiently used for broadband SEIRA spectroscopy, exploiting the spectral overlap between the large longitudinal or transverse plasmonic resonances and narrow infrared active absorption features of an analyte molecule. We demonstrate an increase of the vibrational line intensity up to a factor of 5.7 of infrared-active absorption features of vanillin in the fingerprint spectral region, yielding enhancement factors of three to four orders of magnitude. Moreover, an optimized readout for SPR sensing is proposed based on slightly overlapping longitudinal and transverse localized SPR.

  16. Highly doped semiconductor plasmonic nanoantenna arrays for polarization selective broadband surface-enhanced infrared absorption spectroscopy of vanillin

    Directory of Open Access Journals (Sweden)

    Barho Franziska B.

    2017-11-01

    Full Text Available Tailored plasmonic nanoantennas are needed for diverse applications, among those sensing. Surface-enhanced infrared absorption (SEIRA spectroscopy using adapted nanoantenna substrates is an efficient technique for the selective detection of molecules by their vibrational spectra, even in small quantity. Highly doped semiconductors have been proposed as innovative materials for plasmonics, especially for more flexibility concerning the targeted spectral range. Here, we report on rectangular-shaped, highly Si-doped InAsSb nanoantennas sustaining polarization switchable longitudinal and transverse plasmonic resonances in the mid-infrared. For small array periodicities, the highest reflectance intensity is obtained. Large periodicities can be used to combine localized surface plasmon resonances (SPR with array resonances, as shown in electromagnetic calculations. The nanoantenna arrays can be efficiently used for broadband SEIRA spectroscopy, exploiting the spectral overlap between the large longitudinal or transverse plasmonic resonances and narrow infrared active absorption features of an analyte molecule. We demonstrate an increase of the vibrational line intensity up to a factor of 5.7 of infrared-active absorption features of vanillin in the fingerprint spectral region, yielding enhancement factors of three to four orders of magnitude. Moreover, an optimized readout for SPR sensing is proposed based on slightly overlapping longitudinal and transverse localized SPR.

  17. 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...

  18. Study of Surface Wettability Change of Unconsolidated Sand Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Thermogravimetric Analysis.

    Science.gov (United States)

    Gómora-Herrera, Diana; Navarrete Bolaños, Juan; Lijanova, Irina V; Olivares-Xometl, Octavio; Likhanova, Natalya V

    2018-04-01

    The effects exerted by the adsorption of vapors of a non-polar compound (deuterated benzene) and a polar compound (water) on the surface of Ottawa sand and a sample of reservoir sand (Channel), which was previously impregnated with silicon oil or two kinds of surfactants, (2-hydroxyethyl) trimethylammonium oleate (HETAO) and (2-hydroxyethyl)trimethylammonium azelate (HETAA), were studied by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and thermogravimetric analysis (TGA). The surface chemistry of the sandstone rocks was elucidated by X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDX). Terminal surface groups such as hydroxyls can strongly adsorb molecules that interact with these surface groups (surfactants), resulting in a wettability change. The wettability change effect suffered by the surface after treating it with surfactants was possible to be detected by the DRIFTS technique, wherein it was observed that the surface became more hydrophobic after being treated with silicon oil and HETAO; the surface became more hydrophilic after treating it with HETAA.

  19. Quantitative surface studies of protein adsorption by infrared spectroscopy. II. Quantification of adsorbed and bulk proteins

    International Nuclear Information System (INIS)

    Fink, D.J.; Hutson, T.B.; Chittur, K.K.; Gendreau, R.M.

    1987-01-01

    Attenuated total reflectance Fourier transform infrared spectra of surface-adsorbed proteins are correlated with concentration measurements determined by 125 I-labeled proteins. This paper demonstrates that linear correlations between the intensity of the major bands of proteins and the quantity of proteins can be obtained for human albumin and immunoglobulin G up to surface concentrations of approximately 0.25 microgram/cm2. A poorer correlation was observed for human fibrinogen. A linear correlation was also observed between the concentration in the bulk solution and the major bands of albumin up to a concentration of 60 mg/ml

  20. 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.

  1. Non-invasive identification of metal-oxalate complexes on polychrome artwork surfaces by reflection mid-infrared spectroscopy.

    Science.gov (United States)

    Monico, Letizia; Rosi, Francesca; Miliani, Costanza; Daveri, Alessia; Brunetti, Brunetto G

    2013-12-01

    In this work a reflection mid-infrared spectroscopy study of twelve metal-oxalate complexes, of interest in art conservation science as alteration compounds, was performed. Spectra of the reference materials highlighted the presence of derivative-like and/or inverted features for the fundamental vibrational modes as result of the main contribution from the surface component of the reflected light. In order to provide insights in the interpretation of theses spectral distortions, reflection spectra were compared with conventional transmission ones. The Kramers-Kronig (KK) algorithm, employed to correct for the surface reflection distortions, worked properly only for the derivative-like bands. Therefore, to pay attention to the use of this algorithm when interpreting the reflection spectra is recommended. The outcome of this investigation was exploited to discriminate among different oxalates on thirteen polychrome artworks analyzed in situ by reflection mid-infrared spectroscopy. The visualization of the νs(CO) modes (1400-1200 cm(-1)) and low wavenumber bands (below 900 cm(-1)) in the raw reflection profiles allowed Ca, Cu and Zn oxalates to be identified. Further information about the speciation of different hydration forms of calcium oxalates were obtained by using the KK transform. The work proves reflection mid-infrared spectroscopy to be a reliable and sensitive spectro-analytical method for identifying and mapping different metal-oxalate alteration compounds on the surface of artworks, thus providing conservation scientists with a non-invasive tool to obtain information on the state of conservation and causes of alteration of artworks. Copyright © 2013 Elsevier B.V. All rights reserved.

  2. Inter- and intra-individual differences in skin hydration and surface lipids measured with mid-infrared spectroscopy

    Science.gov (United States)

    Ezerskaia, A.; Pereira, S. F.; Urbach, H. P.; Varghese, B.

    2016-03-01

    Skin health is characterized by heterogeneous system of water and lipids in upper layers providing protection from external environment and preventing loss of vital components of the body. Skin hydration (moisture) and sebum (skin surface lipids) are considered to be important factors in skin health; a right balance between these components is an indication of healthy skin and plays a central role in protecting and preserving skin integrity. In this manuscript we present inter- and intra-individual variation in skin hydration and surface lipids measured with a home-built experimental prototype based on infrared spectroscopy. Results show good agreement with measurements performed by commercially available instruments Corneometer and Sebumeter used for skin hydration and sebum measurements respectively.

  3. Semiconductor optoelectronic infrared spectroscopy

    International Nuclear Information System (INIS)

    Hollingworth, A.R.

    2001-08-01

    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 future potential use in infrared emitters. The effects of bandstructure engineering have been studied in the output characteristics of mid-IR III-V laser diodes to show which processes (defects, radiative, Auger and phonon) dominate and whether non-radiative processes can be suppressed. A new three-beam pump probe experiment was used to investigate interband recombination directly in passive materials. Experiments on PbSe and theory for non-parabolic near-mirror bands and non-degenerate statistics were in good agreement. Comparisons with HgCdTe showed a reduction in the Auger coefficient of 1-2 orders of magnitude in the PbSe. Using Landau confinement to model spatial confinement in quantum dots (QDs) 'phonon bottlenecking' was studied. The results obtained from pump probe and cyclotron resonance saturation measurements showed a clear suppression in the cooling of carriers when Landau level separation was not resonant with LO phonon energy. When a bulk laser diode was placed in a magnetic field to produce a quasi quantum wire device the resulting enhanced differential gain and reduced Auger recombination lowered I th by 30%. This result showed many peaks in the light output which occurred when the LO phonon energy was a multiple of the Landau 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

  4. Metal ion induced room temperature phase transformation and stimulated infrared spectroscopy on TiO{sub 2}-based surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Gole, James L. [Schools of Physics and Mechanical Engineering, Georgia Institute of Technology, 837 State Street, Atlanta, GA 30332-0430 (United States)], E-mail: jim.gole@physics.gatech.edu; Prokes, S.M. [Code 6876, NRL, Washington, DC 20375 (United States)], E-mail: prokes@estd.nrl.navy.mil; White, Mark G. [Dave C. Swalm School of Chemical Engineering, James Worth Bagley College of Engineering, Box 959, MS 39762 (United States)], E-mail: white@che.msstate.edu

    2008-11-30

    Raman and infrared spectroscopy are used to demonstrate (1) the high spin metal ion induced room temperature transformation of anatase to rutile TiO{sub 2} and (2) the phenomena of stimulated IR spectroscopy induced by simultaneous nitrogen doping and high spin metal ion seeding of a TiO{sub 2} nanocolloid lattice.

  5. Metal ion induced room temperature phase transformation and stimulated infrared spectroscopy on TiO2-based surfaces

    International Nuclear Information System (INIS)

    Gole, James L.; Prokes, S.M.; White, Mark G.

    2008-01-01

    Raman and infrared spectroscopy are used to demonstrate (1) the high spin metal ion induced room temperature transformation of anatase to rutile TiO 2 and (2) the phenomena of stimulated IR spectroscopy induced by simultaneous nitrogen doping and high spin metal ion seeding of a TiO 2 nanocolloid lattice

  6. Fiber-optic Fourier transform infrared spectroscopy for remote label-free sensing of medical device surface contamination

    Science.gov (United States)

    Hassan, Moinuddin; Tan, Xin; Welle, Elissa; Ilev, Ilko

    2013-05-01

    As a potential major source of biochemical contamination, medical device surfaces are of critical safety concerns in the clinical practice and public health. The development of innovative sensing methods for accurate and real-time detection of medical device surface contamination is essential to protect patients from high risk infection. In this paper, we demonstrate an alternative fiber-optic Fourier Transform Infrared (FTIR) spectroscopy based sensing approach for remote, non-contact, and label-free detection of biochemical contaminants in the mid-infrared (mid-IR) region. The sensing probe is designed using mid-IR hollow fibers and FTIR measurements are carried out in reflection mode. Bovine Serum Albumin (BSA) and bacterial endotoxin of different concentrations under thoroughly dry condition are used to evaluate the detection sensitivity. The devised system can identify ≤0.0025% (≤4 × 1011 molecules) BSA and 0.5% (0.5 EU/ml) endotoxin concentration. The developed sensing approach may be applied to detect various pathogens that pose public health threats.

  7. In Situ Nondestructive Analysis of Kalanchoe pinnata Leaf Surface Structure by Polarization-Modulation Infrared Reflection-Absorption Spectroscopy.

    Science.gov (United States)

    Hama, Tetsuya; Kouchi, Akira; Watanabe, Naoki; Enami, Shinichi; Shimoaka, Takafumi; Hasegawa, Takeshi

    2017-12-14

    The outermost surface of the leaves of land plants is covered with a lipid membrane called the cuticle that protects against various stress factors. Probing the molecular-level structure of the intact cuticle is highly desirable for understanding its multifunctional properties. We report the in situ characterization of the surface structure of Kalanchoe pinnata leaves using polarization-modulation infrared reflection-absorption spectroscopy (PM-IRRAS). Without sample pretreatment, PM-IRRAS measures the IR spectra of the leaf cuticle of a potted K. pinnata plant. The peak position of the CH 2 -related modes shows that the cuticular waxes on the leaf surface are mainly crystalline, and the alkyl chains are highly packed in an all-trans zigzag conformation. The surface selection rule of PM-IRRAS revealed the average orientation of the cuticular molecules, as indicated by the positive and negative signals of the IR peaks. This unique property of PM-IRRAS revealed that the alkyl chains of the waxes and the main chains of polysaccharides are oriented almost perpendicular to the leaf surface. The nondestructive, background-free, and environmental gas-free nature of PM-IRRAS allows the structure and chemistry of the leaf cuticle to be studied directly in its native environment.

  8. Infrared diode laser spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Civiš, Svatopluk; Cihelka, Jaroslav; Matulková, Irena

    2010-01-01

    Roč. 18, č. 4 (2010), s. 408-420 ISSN 1230-3402 R&D Projects: GA AV ČR IAA400400705 Institutional research plan: CEZ:AV0Z40400503 Keywords : FTIR spectroscopy * absorption spectroscopy * laser diodes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.027, year: 2010

  9. Cell surface groups of two picocyanobacteria strains studied by zeta potential investigations, potentiometric titration, and infrared spectroscopy.

    Science.gov (United States)

    Dittrich, Maria; Sibler, Sabine

    2005-06-15

    In order to clarify the role of picocyanobacteria in aquatic biogeochemical processes (e.g., calcite precipitation), cell surface properties need to be investigated. An experimental study of the cell surface characteristics of two Synechococcus-type unicellular autotrophic picocyanobacterial strains was carried out. One strain was isolated from Lake Plon and contained phycocyanin, the other strain came from Lago Maggiore and was rich in phycoerythrin. Potentiometric titrations were conducted to determine the different types of sites present on the bacteria cell walls. Infrared spectroscopy allowed characterization of the various functional groups (RNH(2), RCOOH, ROH, RPO(2)) and investigations of zeta potential provided insight into the isoelectrical points of the strains. Titrations reveal three distinct sites on the bacterial surfaces of phycocyanin- and phycoerythrin-rich strains with pK values of 4.8+/-0.3/5.0+/-0.2, 6.6+/-0.2/6.7+/-0.4, and 8.8+/-0.1/8.7+/-0.2, corresponding to carboxyl, phosphate, and amine groups with surface densities of 2.6+/-0.4/7.4+/-1.6 x 10(-4), 1.9+/-0.5/4.4+/-0.8 x 10(-4), and 2.5+/-0.4/4.8+/-0.7 x 10(-4) mol/g of dry bacteria. The deprotonation constants are similar to those of bacterial strains and site densities are also within an order of magnitude of other strains. The phycoerythrin-rich strain had a higher number of binding sites than the phycocyanin-rich strain. The results showed that picocyanobacteria may adsorb either calcium cations or carbonate anions and therefore strongly influence the biogeochemical cycling of calcite in pelagic systems.

  10. Photographic infrared spectroscopy and near infrared photometry of Be stars

    International Nuclear Information System (INIS)

    Swings, J.P.

    1976-01-01

    Two topics are tackled in this presentation: spectroscopy and photometry. The following definitions are chosen: photographic infrared spectroscopy (wavelengths Hα<=lambda<1.2 μ); near infrared photometry (wavebands: 1.6 μ<=lambda<=20 μ). Near infrared spectroscopy and photometry of classical and peculiar Be stars are discussed and some future developments in the field are outlined. (Auth.)

  11. Infrared spectroscopy of model electrochemical interfaces in ultrahigh vacuum: some implications for ionic and chemisorbate solvation at electrode surfaces

    Science.gov (United States)

    Villegas, Ignacio; Kizhakevariam, Naushad; Weaver, Michael J.

    1995-07-01

    The utility of infrared reflection-absorption spectroscopy (IRAS) for examining structure and bonding for model electrochemical interfaces in ultrahigh vacuum (UHV) is illustrated, focusing specifically on the solvation of cations and chemisorbed carbon monoxide on Pt(111). These systems were chosen partly in view of the availability of IRAS data (albeit limited to chemisorbate vibrations) for the corresponding in-situ metal-solution interfaces, enabling direct spectral comparisons to be made with the "UHV electrochemical model" systems. Kelvin probe measurements of the metal-UHV surface potential changes (ΔΦ) attending alterations in the interfacial composition are also described: these provide the required link to the in-situ electrode potentials as well as yielding additional insight into surface solvation. Variations in the negative electronic charge density and, correspondingly, in the cation surface concentration (thereby mimicking charge-induced alterations in the electrode potential below the potential of zero charge) are achieved by potassium atom dosage onto Pt(111). Of the solvents selected for discussion here — deuterated water, methanol, and acetonitrile — the first two exhibit readily detectable vibrational bands which provide information on the ionic solvation structure. Progressively dosing these solvents onto Pt(111) in the presence of low potassium coverages yields marked alterations in the solvent vibrational bands which can be understood in terms of sequential cation solvation. Comparison between these spectra for methanol with analogous data for sequential methanol solvation of gas-phase alkali cations enables the influence of the interfacial environment to be assessed. The effects of solvating chemisorbed CO are illustrated for acetonitrile; the markedly larger shifts in CO frequencies and binding sites for dilute CO adlayers can be accounted for in terms of short-range coadsorbate interactions in addition to longer-range Stark effects

  12. Study of interaction between molybdenum oxide and molybdate surface by methods of infrared spectroscopy and combinational scattering

    International Nuclear Information System (INIS)

    Yurchenko, Eh.N.; Kustova, G.N.

    1979-01-01

    MoO 3 interaction with CdMoO 4 , CaMoO 4 , PbMoO 4 , Ae 2 (MoO 4 ) 3 , Cr 2 (MoO 4 ) is investigated by the methods of infrared spectroscopy and light combination scattering. It is shown, that MoO 3 excess differently interacts with molybdates depending on their structural peculiarities. MoO 3 excess interacts with Fe 2 (MoO 4 ) 3 and Cr 2 (MoO 4 ) 3 , intruding in crystalline lattices with the formation of solid solutions. Intrusion of MoO 3 excess into the structure is not found in the interaction with other molybdates

  13. Degradation of dimethylformamide on the surface of the nanosized WO{sub 3} films studied by infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gavrilyuk, A.I., E-mail: gavrilyuk@mail.ioffe.ru

    2016-07-30

    Highlights: • Dimethylformamide was adsorbed on the surface of the nanosized WO{sub 3} films. • The mechanism of the adsorption was investigated by IR spectroscopy. • The transformations of the adsorbed molecules either in dark or under the action of light was discussed. - Abstract: Here I report on the degradation of dimethylformamide on the surface of the nanosized WO{sub 3} films under the action of light. Dimethylformamide, a substance that has a series of interesting properties, was adsorbed on the surface of the WO{sub 3} films and its adsorption mechanism and transformations under the action of light have been investigated with the help of the IR spectroscopy. The spirit of the research is that both DMF modifications have been used i.e., conventional and that with the substitution of hydrogen atoms by deuterium. Formation of two weak bonds (donor-acceptor bond and hydrogen bond) provides a great catalytic effect for photo-initiated proton-coupled electron transfer from the adsorbed molecules to the WO{sub 3} film surface. The mechanism of the detachment of hydrogen atoms and subsequent transformation of the adsorbed molecules has been investigated and discussed.

  14. Infrared and Raman spectroscopy: principles and spectral interpretation

    National Research Council Canada - National Science Library

    Larkin, Peter

    2011-01-01

    "Infrared and Raman Spectroscopy: Principles and Spectral Interpretation explains the background, core principles and tests the readers understanding of the important techniques of Infrared and Raman Spectroscopy...

  15. Infrared Spectroscopy as a Chemical Fingerprinting Tool

    Science.gov (United States)

    Huff, Timothy L.

    2003-01-01

    Infrared (IR) spectroscopy is a powerful analytical tool in the chemical fingerprinting of materials. Any sample material that will interact with infrared light produces a spectrum and, although normally associated with organic materials, inorganic compounds may also be infrared active. The technique is rapid, reproducible and usually non-invasive to the sample. That it is non-invasive allows for additional characterization of the original material using other analytical techniques including thermal analysis and RAMAN spectroscopic techniques. With the appropriate accessories, the technique can be used to examine samples in liquid, solid or gas phase. Both aqueous and non-aqueous free-flowing solutions can be analyzed, as can viscous liquids such as heavy oils and greases. Solid samples of varying sizes and shapes may also be examined and with the addition of microscopic IR (microspectroscopy) capabilities, minute materials such as single fibers and threads may be analyzed. With the addition of appropriate software, microspectroscopy can be used for automated discrete point or compositional surface area mapping, with the latter providing a means to record changes in the chemical composition of a material surface over a defined area. Due to the ability to characterize gaseous samples, IR spectroscopy can also be coupled with thermal processes such as thermogravimetric (TG) analyses to provide both thermal and chemical data in a single run. In this configuration, solids (or liquids) heated in a TG analyzer undergo decomposition, with the evolving gases directed into the IR spectrometer. Thus, information is provided on the thermal properties of a material and the order in which its chemical constituents are broken down during incremental heating. Specific examples of these varied applications will be cited, with data interpretation and method limitations further discussed.

  16. Surface vibrational spectroscopy

    International Nuclear Information System (INIS)

    Erskine, J.L.

    1984-01-01

    A brief review of recent studies which combine measurements of surface vibrational energies with lattice dynamical calculations is presented. These results suggest that surface vibrational spectroscopy offers interesting prospects for use as a molecular-level probe of surface geometry, adsorbate bond distances and molecular orientations

  17. Surface vibrational spectroscopy (EELS)

    International Nuclear Information System (INIS)

    Okuyama, Hiroshi

    2006-01-01

    Adsorbed states of hydrogen on metal surfaces have been studied by means of electron energy loss spectroscopy (EELS). In this article, typical spectra and analysis as well as recent development are introduced. (author)

  18. Near Infrared Cavity Ring-Down Spectroscopy for Isotopic Analyses of CH4 on Future Martian Surface Missions

    Science.gov (United States)

    Chen, Y.; Mahaffy P.; Holmes, V.; Burris, J.; Morey, P.; Lehmann, K.K.; Lollar, B. Sherwood; Lacrampe-Couloume, G.; Onstott, T.C.

    2014-01-01

    A compact Near Infrared Continuous Wave Cavity Ring-Down Spectrometer (near-IR-cw-CRDS) was developed as a candidate for future planetary surface missions. The optical cavity was made of titanium with rugged quartz windows to protect the delicate super cavity from the harsh environmental changes that it would experience during space flight and a Martian surface mission. This design assured the long-term stability of the system. The system applied three distributed feedback laser diodes (DFB-LD), two of which were tuned to the absorption line peaks of (sup 12)CH4 and (sup 13)CH4 at 6046.954 inverse centimeters and 6049.121 inverse centimeters, respectively. The third laser was tuned to a spectral-lines-free region for measuring the baseline cavity loss. The multiple laser design compensated for typical baseline drift of a CRDS system and, thus, improved the overall precision. A semiconductor optical amplifier (SOA) was used instead of an Acousto-Optic Module (AOM) to initiate the cavity ring-down events. It maintained high acquisition rates such as AOM, but consumed less power. High data acquisition rates combined with improved long-term stability yielded precise isotopic measurements in this near-IR region even though the strongest CH4 absorption line in this region is 140 times weaker than that of the strongest mid-IR absorption band. The current system has a detection limit of 1.4 times 10( sup –12) inverse centimeters for (sup 13)CH4. This limit corresponds to approximately 7 parts per trillion volume of CH4 at 100 Torrs. With no further improvements the detection limit of our current near IR-cw-CRDS at an ambient Martian pressure of approximately 6 Torrs (8 millibars) would be 0.25 parts per billion volume for one 3.3 minute long analysis.

  19. Fourier Transform Infrared Spectroscopy Part III. Applications.

    Science.gov (United States)

    Perkins, W. D.

    1987-01-01

    Discusses the use of the FT-IR spectrometer in analyses that were previously avoided. Examines some of the applications of this spectroscopy with aqueous solutions, circular internal reflection, samples with low transmission, diffuse reflectance, infrared emission, and the infrared microscope. (TW)

  20. Infrared spectral reflectances of asteroid surfaces

    Science.gov (United States)

    Larson, H. P.; Veeder, G. J.

    1979-01-01

    This review compares the types of compositional information produced by three complementary techniques used in infrared observations of asteroid surfaces: broadband JHKL photometry, narrow band photometry, and multiplex spectroscopy. The high information content of these infrared observations permits definitive interpretations of asteroid surface compositions in terms of the major meteoritic minerals (olivine, pyroxene, plagioclase feldspar, hydrous silicates, and metallic Ni-Fe). These studies emphasize the individuality of asteroid surface compositions, the inadequacy of simple comparisons with spectra of meteorites, and the need to coordinate spectral measurements of all types to optimize diagnostic capabilities.

  1. Near infrared spectroscopy and exercise

    International Nuclear Information System (INIS)

    Angus, Caroline

    2002-01-01

    Near infrared spectroscopy (NIRS) provides a non-invasive method for the continuous monitoring of changes in tissue oxygenation and blood volume during aerobic exercise. During incremental exercise in adult subjects there was a positive correlation between lactate threshold (measured by blood sampling) and changes in the rate of muscle deoxygenation (measured by NIRS). However, the 7% failure rate for the NIRS test mitigated against the general use of this method. NIRS did not provide a valid method for LT determination in an adolescent population. NIRS was then used to examine whether haemodynamic changes could be a contributing factor to the mechanism underlying the cross-transfer effect. During a one-legged incremental aerobic exercise test the muscle was more deoxygenated in the exercising leg than in the non-exercising leg, consistent with oxygen consumption outstripping blood flow to the exercising limb. However, muscle blood volume increased equally in both legs. This suggests that blood flow may be raised to similar levels in both the legs; although local factors may signal an increase in blood volume, this effect is expressed in both legs. Muscle blood flow and changes in muscle blood volume were then measured directly by NIRS during an incremental one-arm aerobic exercise test. There was no significant difference in either blood volume or blood flow in the two arms at the end of the test. In the non-exercising arm changes in blood flow and blood volume were measured throughout the protocol. At higher exercise intensities, blood volume continued to rise as muscle blood flow plateaued, indicating that blood volume changes become independent of changes in blood flow. Finally, the effect of different training regimes on changes in muscle blood volume was examined. Subjects were assigned to a training group; two-arm training, one-arm training or a control group. Training did not affect blood volume changes during two-arm exercise. However, during one

  2. Structure and reactivity of oxalate surface complexes on lepidocrocite derived from infrared spectroscopy, DFT-calculations, adsorption, dissolution and photochemical experiments

    Science.gov (United States)

    Borowski, Susan C.; Biswakarma, Jagannath; Kang, Kyounglim; Schenkeveld, Walter D. C.; Hering, Janet G.; Kubicki, James D.; Kraemer, Stephan M.; Hug, Stephan J.

    2018-04-01

    Oxalate, together with other ligands, plays an important role in the dissolution of iron(hdyr)oxides and the bio-availability of iron. The formation and properties of oxalate surface complexes on lepidocrocite were studied with a combination of infrared spectroscopy (IR), density functional theory (DFT) calculations, dissolution, and photochemical experiments. IR spectra measured as a function of time, concentration, and pH (50-200 μM oxalate, pH 3-7) showed that several surface complexes are formed at different rates and in different proportions. Measured spectra could be separated into three contributions described by Gaussian line shapes, with frequencies that agreed well with the theoretical frequencies of three different surface complexes: an outer-sphere complex (OS), an inner-sphere monodentate mononuclear complex (MM), and a bidentate mononuclear complex (BM) involving one O atom from each carboxylate group. At pH 6, OS was formed at the highest rate. The contribution of BM increased with decreasing pH. In dissolution experiments, lepidocrocite was dissolved at rates proportional to the surface concentration of BM, rather than to the total adsorbed concentration. Under UV-light (365 nm), BM was photolyzed at a higher rate than MM and OS. Although the comparison of measured spectra with calculated frequencies cannot exclude additional possible structures, the combined results allowed the assignment of three main structures with different reactivities consistent with experiments. The results illustrate the importance of the surface speciation of adsorbed ligands in dissolution and photochemical reactions.

  3. Infrared spectroscopy with synchrotron radiation

    International Nuclear Information System (INIS)

    Lagarde, P.

    1978-01-01

    Storage rings are normally used as sources of radiation in the X-ray and the u.v. part of the spectrum. It is shown that, with a specially designed component, a storage ring like ACO at Orsay is a very powerful far-infrared source, whose advantages over classical wide band sources are reviewed. (author)

  4. Multiscale modeling of interaction of alane clusters on Al(111) surfaces : a reactive force field and infrared absorbtion spectroscopy approach

    NARCIS (Netherlands)

    Ojwang, J.G.O.; Chaudhuri, S.; Duin, van A.C.T.; Chabal, Y.J.; Veyan, J.-F.; Santen, van R.A.; Kramer, G.J.; Goddard III, W.A.

    2010-01-01

    We have used reactive force field (ReaxFF) to investigate the mechanism of interaction of alanes on Al(111) surface. Our simulations show that, on the Al(111) surface, alanes oligomerize into larger alanes. In addition, from our simulations, adsorption of atomic hydrogen on Al(111) surface leads to

  5. Nanoscale Infrared Spectroscopy of Biopolymeric Materials

    Science.gov (United States)

    Curtis Marcott; Michael Lo; Kevin Kjoller; Craig Prater; Roshan Shetty; Joseph Jakes; Isao Noda

    2012-01-01

    Atomic Force Microscopy (AFM) and infrared (IR) spectroscopy have been combined in a single instrument capable of producing 100 nm spatial resolution IR spectra and images. This new capability enables the spectroscopic characterization of biomaterial domains at levels not previously possible. A tunable IR laser source generating pulses on the order of 10 ns was used...

  6. Near Infrared Spectroscopy Systems for Tissue Oximetry

    DEFF Research Database (Denmark)

    Petersen, Søren Dahl

    for other medical applications. The tissue oximeters are realised by incorporation of pn-diodes into the silicon in order to form arrays of infrared detectors. These arrays can then be used for spatially resolved spectroscopy measurements, with the targeted end user being prematurely born infant children...

  7. Infrared spectroscopy of ionic clusters

    International Nuclear Information System (INIS)

    Price, J.M.

    1990-11-01

    This thesis describes new experiments wherein the infrared vibrational predissociation spectra of a number of mass-selected ionic cluster systems have been obtained and analyzed in the 2600 to 4000 cm -1 region. The species studied include: the hydrated hydronium ions, H 3 O + (H 2 O) 3 -10 , ammoniated ammonium ions, NH 4 + (NH 3 ) 1 -10 and cluster ions involving both water and ammonia around an ammonium ion core, (mixed clusters) NH 4 + (NH 3 ) n (H 2 O) m (n+m=4). In each case, the spectra reveal well resolved structures that can be assigned to transitions arising from the vibrational motions of both the ion core of the clusters and the surrounding neutral solvent molecules. 154 refs., 19 figs., 8 tabs

  8. Infrared spectroscopy of ionic clusters

    Energy Technology Data Exchange (ETDEWEB)

    Price, J.M. (California Univ., Berkeley, CA (USA). Dept. of Chemistry Lawrence Berkeley Lab., CA (USA))

    1990-11-01

    This thesis describes new experiments wherein the infrared vibrational predissociation spectra of a number of mass-selected ionic cluster systems have been obtained and analyzed in the 2600 to 4000 cm{sup {minus}1} region. The species studied include: the hydrated hydronium ions, H{sub 3}O{sup +} (H{sub 2}O){sub 3 {minus}10}, ammoniated ammonium ions, NH{sub 4}{sup +}(NH{sub 3}){sub 1 {minus}10} and cluster ions involving both water and ammonia around an ammonium ion core, (mixed clusters) NH{sub 4}{sup +}(NH{sub 3}){sub n}(H{sub 2}O){sub m} (n+m=4). In each case, the spectra reveal well resolved structures that can be assigned to transitions arising from the vibrational motions of both the ion core of the clusters and the surrounding neutral solvent molecules. 154 refs., 19 figs., 8 tabs.

  9. Near-infrared spectroscopy for cocrystal screening

    DEFF Research Database (Denmark)

    Allesø, Morten; Velaga, Sitaram; Alhalaweh, Amjad

    2008-01-01

    Near-infrared (NIR) spectroscopy is a well-established technique for solid-state analysis, providing fast, noninvasive measurements. The use of NIR spectroscopy for polymorph screening and the associated advantages have recently been demonstrated. The objective of this work was to evaluate...... 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...

  10. Inter-and intra-individual differences in skin hydration and surface lipids measured with mid-infrared spectroscopy

    NARCIS (Netherlands)

    Ezerskaia, A.; Pereira, S.F.; Urbach, Paul; Varghese, Babu; Coté, Gerard L.

    2016-01-01

    Skin health is characterized by heterogeneous system of water and lipids in upper layers providing protection from external environment and preventing loss of vital components of the body. Skin hydration (moisture) and sebum (skin surface lipids) are considered to be important factors in skin

  11. Surface science station of the infrared beamline at SPring-8

    International Nuclear Information System (INIS)

    Sakurai, M.; Moriwaki, T.; Kimura, H.; Nishida, S.; Nanba, T.

    2001-01-01

    An experimental station for surface science has been constructed at the infrared beamline (BL43IR) of SPring-8, Japan. The station utilizes synchrotron radiation in the energy range of 100-20000 cm -1 to perform infrared reflection absorption spectroscopy (IRAS) of surfaces. It consists of an experimental section, a preparation chamber, gas handling equipment and a pair of focusing optics. In situ observation of vibrational spectra is possible using both IRAS and high-resolution electron energy loss spectroscopy

  12. Infrared-emission spectroscopy of CO on Ni

    International Nuclear Information System (INIS)

    Chiang, S.; Tobin, R.G.; Richards, P.L.

    1982-09-01

    We report the first observation of thermally emitted infrared radiation from vibrational modes of molecules adsorbed on clean, single-crystal metal surfaces. The observation of emission from CO adsorbed on Ni demonstrates the surface sensitivity of a novel apparatus for infrared vibrational spectroscopy, with a resolution of 1 to 15 cm -1 over the frequency range from 330 to 3000 cm -1 . A liquid-helium-cooled grating spectrometer measures the thermal radiation from a room-temperature, single-crystal sample, which is mounted in an ultrahigh-vacuum system. Measurements of frequencies and linewidths of CO on a single-crystal Ni sample, as a function of coverage, are discussed

  13. Infrared spectroscopy by use of synchrotron radiation

    International Nuclear Information System (INIS)

    Nanba, Takao

    1991-01-01

    During five years since the author wrote the paper on the utilization of synchrotron radiation in long wavelength region, it seems to be recognized that in synchrotron radiation, the light from infrared to milli wave can be utilized, and is considerably useful. Recently the research on coherent synchrotron radiation in this region using electron linac has been developed by Tohoku University group, and the high capability of synchrotron radiation as light source is verified. This paper is the report on the infrared spectroscopic research using incoherent synchrotron radiation obtained from the deflection electromagnet part of electron storage rings. Synchrotron radiation is high luminance white light source including from X-ray to micro wave. The example of research that the author carried out at UVSOR is reported, and the perspective in near future is mentioned. Synchrotron radiation as the light source for infrared spectroscopy, the intensity and dimensions of the light source, far infrared region and mid infrared region, far infrared high pressure spectroscopic experiment, and the heightening of luminance of synchrotron radiation as infrared light source are described. (K.I.)

  14. Femtosecond infrared spectroscopy: study, development and applications

    International Nuclear Information System (INIS)

    Bonvalet, Adeline

    1997-01-01

    This work has been devoted to the development and the applications of a new technique of infrared (5-20 μm) spectroscopy allowing a temporal resolution of 100 fs. This technique relies on a source of ultrashort infrared pulses obtained by frequency mixing in a nonlinear material. In particular, the optical rectification of 12-fs visible pulses in gallium arsenide has allowed us to obtain 40-fs infrared pulses with a spectrum extending from 5 pm up to 15 μm. Spectral resolution has been achieved by Fourier transform spectroscopy, using a novel device we have called Diffracting FTIR. These developments allow to study inter-subband transitions in quantum-well structures. The inter-subband relaxation time has been measured by a pump-probe experiment, in which the sample was excited with a visible pulse, and the variations of inter-subband absorption probed with an infrared pulse. Besides, we have developed a method of coherent emission spectroscopy allowing to monitor the electric field emitted by coherent charge oscillations in quantum wells. The decay of the oscillations due to the loss of coherence between excited levels yields a direct measurement of the dephasing time between these levels. Other applications include biological macromolecules like reaction centers of photosynthetic bacteria. We have shown that we were able to monitor variations of infrared absorption of about 10 -4 optical densities with a temporal resolution of 100 fs. This would constitute a relevant tool to study the role of molecular vibrations during the primary steps of biological processes. (author) [fr

  15. Infrared spectroscopy of some organocobalt (III) compounds

    International Nuclear Information System (INIS)

    Benedetti, A.V.; Mauro, A.E.

    1982-01-01

    The compounds [MeCo(DH) 2 py], [MeCo(DH) 2 H 2 O] (M = methyl; DH = dimethyl-glyoxymate; py = pyridine) and others of general formulae [Co(L)(H 2 O) 2 ] ClO 4 , where L = SALOPHEN = bis (salicylaldehyde)-o-phenylenediimine; SALCN = 1,2-bis (salicylaldehyde) cyclohexylenediimine; SALEN = bis (salicylaldehyde) ethylenediimine; BAE = bis (acetylacetone)-ethylenediimine were synthesized and studied by infrared spectroscopy. The frequencies observed have been assigned to specific group vibrations. (Author) [pt

  16. Cellulose model surfaces - simplified preparation by spin coating and characterization by X-ray photoelectron spectroscopy, infrared spectroscopy, and atomic force microscopy

    NARCIS (Netherlands)

    Kontturi, E.J.; Thuene, P.C.; Niemantsverdriet, J.W.

    2003-01-01

    Spin coating is introduced as a simplified method to prep. model surfaces of cellulose. Prior to spin coating, trimethylsilyl cellulose (TMSC), a nonpolar deriv. of cellulose, is synthesized in order to dissolve the otherwise immiscible cellulose. After the spin coating deposition of TMSC on an

  17. 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 ...

  18. Optimization of polyphenols extraction using response surface methodology and application of near infrared spectroscopy to phenolic content analysis of pine bark

    International Nuclear Information System (INIS)

    Derkyi, Nana Sarfo Agyemang

    2010-04-01

    The utilization of pine bark for processing water resistant phenol-formaldehyde adhesive for plywood production encounters difficulties due to the very high reactivity of the formaldehyde condensable phenolics and other un-intended compounds (sugars) extracted into solution, as well as time consuming and costly chemical analysis. The potential of near infrared reflectance spectroscopy (NIRS) for rapidly and accurately determining the polyphenolic contents in Pinus caribaea bark extracts was assessed by means of multivariate calibration techniques. To optimize the polyphenol content, four different solvents (aqueous acetone, aqueous ethanol, aqueous NaOH and water) were used in the extractions. Batch experiments were performed at different solvent concentrations, time, temperature and liquid-solid ratio. Mathematical polynomial models were proposed to identify the effects of individual interactions of these variables on the extraction of polyphenols and optimum content using response surface methodology (RSM). The optimized conditions were used to extract polyphenols which were used in the formulation of resol resins for plywood manufacture. The first derivative spectra with PLS regression were found to provide the best prediction of the tannin content and stiasny number of pine bark with a SECV = 0.14 and 1.26 and r"2 = 0.97 and 0.95 respectively. The predicted values were thus highly correlated with costly measured values of tannin content and Stiasny number. The highest extraction model efficiency (78.98%) was observed for aqueous extraction when only tannin content was maximized in the numerical optimization process. This corresponded to optimum extraction conditions of 69°C extraction temperature, 126 min extraction time and 23:1 liquid-solid ratio. The RSM model that gave a high tannin content (18.85%) with a corresponding good quality resin (shear strength = 2.4 MPa, 10% delamination) was found for aqueous ethanol extraction when the objective function was

  19. Infrared spectroscopy of fluid lipid bilayers.

    Science.gov (United States)

    Hull, Marshall C; Cambrea, Lee R; Hovis, Jennifer S

    2005-09-15

    Infrared spectroscopy is a powerful technique for examining lipid bilayers; however, it says little about the fluidity of the bilayer-a key physical aspect. It is shown here that it is possible to both acquire spectroscopic data of supported lipid bilayer samples and make measurements of the membrane fluidity. Attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FT-IR) is used to obtain the spectroscopic information and fluorescence recovery after photobleaching (FRAP) is used to determine the fluidity of the samples. In the infrared spectra of lipid bilayers composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, the following major peaks were observed; nu(as)(CH3) 2954 cm(-1), nu(s)(CH3) 2870 cm(-1), nu(as)(CH2) 2924 cm(-1), nu(s)(CH2) 2852 cm(-1), nu(C=O) 1734 cm(-1), delta(CH2) 1463-1473 cm(-1), nu(as)(PO2-) 1226 cm(-1), nu(s)(PO2-) 1084 cm(-1), and nu(as)(N+(CH3)3) 973 cm(-1). The diffusion coefficient of the same lipid bilayer was measured to be 3.5 +/- 0.5 micom(2)/s with visual recovery also noted through use of epifluorescence microscopy. FRAP and visual data confirm the formation of a uniform, mobile supported lipid bilayer. The combination of ATR-FT-IR and FRAP provides complementary data giving a more complete picture of fully hydrated model membrane systems.

  20. Coherent atomic and molecular spectroscopy in the far infrared

    International Nuclear Information System (INIS)

    Inguscio, M.

    1988-01-01

    Recent advances in far infrared spectroscopy of atoms (fine structure transitions) and molecules (rotational transitions) are reviewed. Results obtained by means of Laser Magnetic Resonance, using fixed frequency lasers, and Tunable Far Infrared spectrometers are illustrated. The importance of far infrared spectroscopy for several fields, including astrophysics, atmospheric physics, atomic structure and metology, is discussed. (orig.)

  1. Fourier transform infrared spectroscopy of peptides.

    Science.gov (United States)

    Bakshi, Kunal; Liyanage, Mangala R; Volkin, David B; Middaugh, C Russell

    2014-01-01

    Fourier transform infrared (FTIR) spectroscopy provides data that are widely used for secondary structure characterization of peptides. A wide array of available sampling methods permits structural analysis of peptides in diverse environments such as aqueous solution (including optically turbid media), powders, detergent micelles, and lipid bilayers. In some cases, side chain vibrations can also be resolved and used for tertiary structure and chemical analysis. Data from several low-resolution spectroscopic techniques, including FTIR, can be combined to generate an empirical phase diagram, an overall picture of peptide structure as a function of environmental conditions that can aid in the global interpretation of large amounts of spectroscopic data.

  2. Near infrared spectroscopy of human muscles

    Science.gov (United States)

    Gasbarrone, R.; Currà, A.; Cardillo, A.; Bonifazi, G.; Serranti, S.

    2018-02-01

    Optical spectroscopy is a powerful tool in research and industrial applications. Its properties of being rapid, non-invasive and not destructive make it a promising technique for qualitative as well as quantitative analysis in medicine. Recent advances in materials and fabrication techniques provided portable, performant, sensing spectrometers readily operated by user-friendly cabled or wireless systems. We used such a system to test whether infrared spectroscopy techniques, currently utilized in many areas as primary/secondary raw materials sector, cultural heritage, agricultural/food industry, environmental remote and proximal sensing, pharmaceutical industry, etc., could be applied in living humans to categorize muscles. We acquired muscles infrared spectra in the Vis-SWIR regions (350-2500 nm), utilizing an ASD FieldSpec 4 Standard-Res Spectroradiometer with a spectral sampling capability of 1.4 nm at 350-1000 nm and 1.1 nm at 1001-2500 nm. After a preliminary spectra pre-processing (i.e. signal scattering reduction), Principal Component Analysis (PCA) was applied to identify similar spectral features presence and to realize their further grouping. Partial Least-Squares Discriminant Analysis (PLS-DA) was utilized to implement discrimination/prediction models. We studied 22 healthy subjects (age 25-89 years, 11 females), by acquiring Vis-SWIR spectra from the upper limb muscles (i.e. biceps, a forearm flexor, and triceps, a forearm extensor). Spectroscopy was performed in fixed limb postures (elbow angle approximately 90‡). We found that optical spectroscopy can be applied to study human tissues in vivo. Vis-SWIR spectra acquired from the arm detect muscles, distinguish flexors from extensors.

  3. 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.

  4. Introduction to experimental infrared spectroscopy fundamentals and practical methods

    CERN Document Server

    Tasumi, Mitsuo; Ochiai, Shukichi

    2014-01-01

    Infrared spectroscopy is generally understood to mean the science of spectra relating to infrared radiation, namely electromagnetic waves, in the wavelength region occurring intermediately between visible light and microwaves. Measurements of infrared spectra have been providing useful information, for a variety of scientific research and industrial studies, for over half a century; this is set to continue in the foreseeable future. Introduction to Experimental Infrared Spectroscopy is intended to be a handy guide for those who have no, or limited, experience in infrared spectroscopi

  5. Voyager infrared spectroscopy and radiometry investigation

    Energy Technology Data Exchange (ETDEWEB)

    Hanel, R; Conrath, B; Gautier, D; Gierasch, P; Kumar, S; Kunde, V; Lowman, P; Maguire, W; Pearl, J; Pirraglia, J [National Aeronautics and Space Administration, Greenbelt, Md. (USA). Goddard Space Flight Center

    1977-11-01

    The infrared investigation on Voyager uses two interferometers covering the spectral ranges 60-600 cm/sup -1/ (17-170 ..mu..m) and 1000-7000 cm/sup -1/ (1.4-10 ..mu..m), and a radiometer covering the range 8000-25000 cm/sup -1/ (0.4-1.2 ..mu..m). Two spectral resolutions (approximately 6.5 and 2.0 cm/sup -1/) are available for each of the interferometers. In the middle of the thermal channel (far infrared interferometer) the noise level is equivalent to the signal from a target at 50 K; in the middle of the reflected sunlight channel (near infrared interferometer) the noise level is equivalent to the signal from an object of albedo 0.2 at the distance of Uranus. For planets and satellites with substantial atmospheres, the data will be used to investigate cloud and gas composition (including isotopic ratios), haze scale height, atmospheric vertical thermal structure, local and planetary circulation and dynamics, and planetary energy balance. For satellites with tenuous atmospheres, data will be gathered on surface and atmospheric compositon, surface temperature and thermal properties, local and global phase functions, and surface structure. For Saturn's rings, the composition and radial structure, particle size and thermal characteristics will be investigated. Comparative studies of the planets and their satellite systems will be carried out.

  6. Near Infrared Spectroscopy as a Hemodynamic Monitor in Critical Illness.

    Science.gov (United States)

    Ghanayem, Nancy S; Hoffman, George M

    2016-08-01

    The objectives of this review are to discuss the technology and clinical interpretation of near infrared spectroscopy oximetry and its clinical application in patients with congenital heart disease. MEDLINE and PubMed. Near infrared spectroscopy provides a continuous noninvasive assessment of tissue oxygenation. Over 20 years ago, near infrared spectroscopy was introduced into clinical practice for monitoring cerebral oxygenation during cardiopulmonary bypass in adults. Since that time, the utilization of near infrared spectroscopy has extended into the realm of pediatric cardiac surgery and is increasingly being used in the cardiac ICU to monitor tissue oxygenation perioperatively.

  7. Rapid, nondestructive estimation of surface polymer layer thickness using attenuated total reflection fourier transform infrared (ATR FT-IR) spectroscopy and synthetic spectra derived from optical principles.

    Science.gov (United States)

    Weinstock, B André; Guiney, Linda M; Loose, Christopher

    2012-11-01

    We have developed a rapid, nondestructive analytical method that estimates the thickness of a surface polymer layer with high precision but unknown accuracy using a single attenuated total reflection Fourier transform infrared (ATR FT-IR) measurement. Because the method is rapid, nondestructive, and requires no sample preparation, it is ideal as a process analytical technique. Prior to implementation, the ATR FT-IR spectrum of the substrate layer pure component and the ATR FT-IR and real refractive index spectra of the surface layer pure component must be known. From these three input spectra a synthetic mid-infrared spectral matrix of surface layers 0 nm to 10,000 nm thick on substrate is created de novo. A minimum statistical distance match between a process sample's ATR FT-IR spectrum and the synthetic spectral matrix provides the thickness of that sample. We show that this method can be used to successfully estimate the thickness of polysulfobetaine surface modification, a hydrated polymeric surface layer covalently bonded onto a polyetherurethane substrate. A database of 1850 sample spectra was examined. Spectrochemical matrix-effect unknowns, such as the nonuniform and molecularly novel polysulfobetaine-polyetherurethane interface, were found to be minimal. A partial least squares regression analysis of the database spectra versus their thicknesses as calculated by the method described yielded an estimate of precision of ±52 nm.

  8. Mid-infrared spectroscopy in skin cancer cell type identification

    Science.gov (United States)

    Kastl, Lena; Kemper, Björn; Lloyd, Gavin R.; Nallala, Jayakrupakar; Stone, Nick; Naranjo, Valery; Penaranda, Francisco; Schnekenburger, Jürgen

    2017-07-01

    Mid infrared spectroscopy samples were developed for the analysis of skin tumor cell types and three dimensional tissue phantoms towards the application of midIR spectroscopy for fast and reliable skin cancer diagnostics.

  9. Visualizing Infrared (IR) Spectroscopy with Computer Animation

    Science.gov (United States)

    Abrams, Charles B.; Fine, Leonard W.

    1996-01-01

    IR Tutor, an interactive, animated infrared (IR) spectroscopy tutorial has been developed for Macintosh and IBM-compatible computers. Using unique color animation, complicated vibrational modes can be introduced to beginning students. Rules governing the appearance of IR absorption bands become obvious because the vibrational modes can be visualized. Each peak in the IR spectrum is highlighted, and the animation of the corresponding normal mode can be shown. Students can study each spectrum stepwise, or click on any individual peak to see its assignment. Important regions of each spectrum can be expanded and spectra can be overlaid for comparison. An introduction to the theory of IR spectroscopy is included, making the program a complete instructional package. Our own success in using this software for teaching and research in both academic and industrial environments will be described. IR Tutor consists of three sections: (1) The 'Introduction' is a review of basic principles of spectroscopy. (2) 'Theory' begins with the classical model of a simple diatomic molecule and is expanded to include larger molecules by introducing normal modes and group frequencies. (3) 'Interpretation' is the heart of the tutorial. Thirteen IR spectra are analyzed in detail, covering the most important functional groups. This section features color animation of each normal mode, full interactivity, overlay of related spectra, and expansion of important regions. This section can also be used as a reference.

  10. A spectroelectrochemical cell for ultrafast two-dimensional infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    El Khoury, Youssef; Van Wilderen, Luuk J. G. W.; Vogt, Tim; Winter, Ernst; Bredenbeck, Jens, E-mail: bredenbeck@biophysik.uni-frankfurt.org, E-mail: bredenbeck@biophysik.uni-frankfurt.de [Institut für Biophysik, Johann Wolfgang Goethe-Universität, Max-von-Laue-Strasse 1, 60438 Frankfurt (Germany)

    2015-08-15

    A spectroelectrochemical cell has been designed to combine electrochemistry and ultrafast two-dimensional infrared (2D-IR) spectroscopy, which is a powerful tool to extract structure and dynamics information on the femtosecond to picosecond time scale. Our design is based on a gold mirror with the dual role of performing electrochemistry and reflecting IR light. To provide the high optical surface quality required for laser spectroscopy, the gold surface is made by electron beam evaporation on a glass substrate. Electrochemical cycling facilitates in situ collection of ultrafast dynamics of redox-active molecules by means of 2D-IR. The IR beams are operated in reflection mode so that they travel twice through the sample, i.e., the signal size is doubled. This methodology is optimal for small sample volumes and successfully tested with the ferricyanide/ferrocyanide redox system of which the corresponding electrochemically induced 2D-IR difference spectrum is reported.

  11. A spectroelectrochemical cell for ultrafast two-dimensional infrared spectroscopy

    International Nuclear Information System (INIS)

    El Khoury, Youssef; Van Wilderen, Luuk J. G. W.; Vogt, Tim; Winter, Ernst; Bredenbeck, Jens

    2015-01-01

    A spectroelectrochemical cell has been designed to combine electrochemistry and ultrafast two-dimensional infrared (2D-IR) spectroscopy, which is a powerful tool to extract structure and dynamics information on the femtosecond to picosecond time scale. Our design is based on a gold mirror with the dual role of performing electrochemistry and reflecting IR light. To provide the high optical surface quality required for laser spectroscopy, the gold surface is made by electron beam evaporation on a glass substrate. Electrochemical cycling facilitates in situ collection of ultrafast dynamics of redox-active molecules by means of 2D-IR. The IR beams are operated in reflection mode so that they travel twice through the sample, i.e., the signal size is doubled. This methodology is optimal for small sample volumes and successfully tested with the ferricyanide/ferrocyanide redox system of which the corresponding electrochemically induced 2D-IR difference spectrum is reported

  12. Buccal microbiology analyzed by infrared spectroscopy

    Science.gov (United States)

    de Abreu, Geraldo Magno Alves; da Silva, Gislene Rodrigues; Khouri, Sônia; Favero, Priscila Pereira; Raniero, Leandro; Martin, Airton Abrahão

    2012-01-01

    Rapid microbiological identification and characterization are very important in dentistry and medicine. In addition to dental diseases, pathogens are directly linked to cases of endocarditis, premature delivery, low birth weight, and loss of organ transplants. Fourier Transform Infrared Spectroscopy (FTIR) was used to analyze oral pathogens Aggregatibacter actinomycetemcomitans ATCC 29523, Aggregatibacter actinomycetemcomitans-JP2, and Aggregatibacter actinomycetemcomitans which was clinically isolated from the human blood-CI. Significant spectra differences were found among each organism allowing the identification and characterization of each bacterial species. Vibrational modes in the regions of 3500-2800 cm-1, the 1484-1420 cm-1, and 1000-750 cm-1 were used in this differentiation. The identification and classification of each strain were performed by cluster analysis achieving 100% separation of strains. This study demonstrated that FTIR can be used to decrease the identification time, compared to the traditional methods, of fastidious buccal microorganisms associated with the etiology of the manifestation of periodontitis.

  13. Infrared spectroscopy of different phosphates structures.

    Science.gov (United States)

    Jastrzębski, W; Sitarz, M; Rokita, M; Bułat, K

    2011-08-15

    Infrared (IR) spectroscopic studies of mineral and synthetic phosphates have been presented. The interpretation of the spectra has been preceded by the isolated [PO(4)](3-) tetrahedron spectra analyse. The K(3)PO(4) saturated aqueous solution was measured in the special cell for liquids. The obtained IR results have been compared with the theoretical number of IR-active modes. The number and positions of the bands due to P-O vibrations have been established. The phase composition of the phosphates has been determined using XRD and IR spectroscopy methods. The influence of non-tetrahedral cations on the shape of the spectra and the positions of bands has been analysed and the crystalline field splitting effect has been discussed. Copyright © 2010 Elsevier B.V. All rights reserved.

  14. Characterization of UO2 by infrared spectroscopy

    International Nuclear Information System (INIS)

    Faeda, Kelly C.M.; Machado, Geraldo C.; Lameiras, Fernando S.

    2011-01-01

    The characterization of nuclear fuel is of great importance to minimize the effects related to burnup and temperature and to achieve stability during in-core operation. The understanding the U-O system and its thermodynamic properties has fundamental importance in nuclear industry. Many physical properties of UO 2±x depend on the ratio O / U, such as the electrical conductivity and thermal properties, as well as the diffusivities of its constituents and solutes. The U-O system presents various oxides such as UO 2±x , U 4 O 9 , U 3 O 8 , and UO 3 . The control of the O/U relation is critical to the manufacturing process of UO 2 . In this work, the infrared spectroscopy was used to identify the presence of phases in UO 2 powder samples that cannot be identified by thermogravimetry and X-ray diffraction. (author)

  15. Infrared and THz spectroscopy of nanostructured dielectrics

    Directory of Open Access Journals (Sweden)

    Jan Petzelt

    2009-09-01

    Full Text Available Results achieved using the infrared/THz spectroscopy of various inhomogeneous dielectrics in the Department of Dielectrics, Institute of Physics, Prague, during the last decade are briefly reviewed. The discussion concerns high-permittivity ceramics with inevitable low-permittivity dead layers along the grain boundaries, relaxor ferroelectrics with highly anisotropic polar nano-regions, classical matrix-type composites, core-shell composites, filled nanoporous glasses, polycrystalline and epitaxial thin films, heterostructures and superlattices on dielectric substrates. The analysis using models based on the effective medium approach is discussed. The importance of depolarizing field and of the percolation of components on the effective ac dielectric response and the excitations contributing to it are emphasized.

  16. High resolution infrared spectroscopy of symbiotic stars

    International Nuclear Information System (INIS)

    Bensammar, S.

    1989-01-01

    We report here very early results of high resolution (5x10 3 - 4x10 4 ) infrared spectroscopy (1 - 2.5 μm) of different symbiotic stars (T CrB, RW Hya, CI Cyg, PU Vul) observed with the Fourier Transform Spectrometer of the 3.60m Canada France Hawaii Telescope. These stars are usually considered as interacting binaries and only little details are known about the nature of their cool component. CO absorption lines are detected for the four stars. Very different profiles of hydrogen Brackett γ and helium 10830 A lines are shown for CI Cyg observed at different phases, while Pu Vul shows very intense emission lines

  17. [Identification of Dendrobium varieties by infrared spectroscopy].

    Science.gov (United States)

    Liu, Fei; Wang, Yuan-Zhong; Yang, Chun-Yan; Jin, Hang

    2014-11-01

    The difference of Dendrobium varieties were analyzed by Fourier transform infrared (FTIR) spectroscopy. The infrared spectra of 206 stems from 30 Dendrobium varieties were obtained, and showed that polysaccharides, especially fiber, were the main components in Dendrobium plants. FTIR combined with Wilks' Lambda stepwise discriminative analysis was used to identify Dendrobium varieties. The effects of spectral range and number of training samples on the discrimination results were also analysed. Two hundred eighty seven variables in the spectral range of 1 800-1 250 cm(-1) were studied, and showed that the return discrimination is 100% correct when the training samples number of each species was 2, 3, 4, 5, and 6, respectively, whereas for the remaining samples the correct rates of identification were equal to 79.4%, 91.3%, 93.0%, 98.2%, and 100%, respectively. The same discriminative analyses on five different training samples in the spectral range of 1 800-1 500, 1 500-1 250, 1 250-600, 1 250-950 and 950-650 cm(-1) were compared, which showed that the variables in the range of 1 800-1 250, 1 800-1 500 and 950-600 cm(-1) were more suitable for variety identification, and one can obtain the satisfactory result for discriminative analysis when the training sample is more than 3. Our results indicate that FTIR combined with stepwise discriminative analysis is an effective way to distinguish different Dendrobium varieties.

  18. FTIR Emission spectroscopy of surfaces

    Science.gov (United States)

    Van Woerkom, P. C. M.

    A number of vibrational spectroscopic techniques are available For the study of surfaces, such as ATR, IR reflection-absorption, IR emission, etc. Infrared emission is hardly used, although interesting applications are possible now due to the high sensitivity of Fourier transform IR (FTIR) spectrometers. Two examples, where infrared emission measurements are very fruitful, will be given. One is the investigation of the curing behaviour of organic coatings, the other is the in situ study of heterogeneously catalyzed reactions. Undoubtedly, infrared emission measurements offer a number of specific advantages in some cases. Especially the less critical demands on the sample preparation are important.

  19. Silver nanoparticle based surface enhanced Raman scattering spectroscopy of diabetic and normal rat pancreatic tissue under near-infrared laser excitation

    International Nuclear Information System (INIS)

    Huang, H; Shi, H; Chen, W; Yu, Y; Lin, D; Xu, Q; Feng, S; Lin, J; Huang, Z; Li, Y; Chen, R

    2013-01-01

    This paper presents the use of high spatial resolution silver nanoparticle based near-infrared surface enhanced Raman scattering (SERS) from rat pancreatic tissue to obtain biochrmical information about the tissue. A high quality SERS signal from a mixture of pancreatic tissues and silver nanoparticles can be obtained within 10 s using a Renishaw micro-Raman system. Prominent SERS bands of pancreatic tissue were assigned to known molecular vibrations, such as the vibrations of DNA bases, RNA bases, proteins and lipids. Different tissue structures of diabetic and normal rat pancreatic tissues have characteristic features in SERS spectra. This exploratory study demonstrated great potential for using SERS imaging to distinguish diabetic and normal pancreatic tissues on frozen sections without using dye labeling of functionalized binding sites. (letter)

  20. Infrared spectroscopy of anionic hydrated fluorobenzenes

    International Nuclear Information System (INIS)

    Schneider, Holger; Vogelhuber, Kristen M.; Weber, J. Mathias

    2007-01-01

    We investigate the structural motifs of anionic hydrated fluorobenzenes by infrared photodissociation spectroscopy and density functional theory. Our calculations show that all fluorobenzene anions under investigation are strongly distorted from the neutral planar molecular geometries. In the anions, different F atoms are no longer equivalent, providing structurally different binding sites for water molecules and giving rise to a multitude of low-lying isomers. The absorption bands for hexa- and pentafluorobenzene show that only one isomer for the respective monohydrate complexes is populated in our experiment. For C 6 F 6 - ·H 2 O, we can assign these bands to an isomer where water forms a weak double ionic hydrogen bond with two F atoms in the ion, in accord with the results of Bowen et al. [J. Chem. Phys. 127, 014312 (2007), following paper.] The spectroscopic motif of the binary complexes changes slightly with decreasing fluorination of the aromatic anion. For dihydrated hexafluorobenzene anions, several isomers are populated in our experiments, some of which may be due to hydrogen bonding between water molecules

  1. 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.

  2. Use of near infrared correlation spectroscopy for quantitation of surface iron, absorbed water and stored electronic energy in a suite of Mars soil analog materials

    Science.gov (United States)

    Coyne, Lelia M.; Banin, Amos; Carle, Glenn; Orenberg, James; Scattergood, Thomas

    1989-01-01

    A number of questions concerning the surface mineralogy and the history of water on Mars remain unresolved using the Viking analyses and Earth-based telescopic data. Identification and quantitation of iron-bearing clays on Mars would elucidate these outstanding issues. Near infrared correlation analysis, a method typically applied to qualitative and quantitative analysis of individual constituents of multicomponent mixtures, is adapted here to selection of distinctive features of a small, highly homologous series of Fe/Ca-exchanged montmorillonites and several kalinites. Independently determined measures of surface iron, relative humidity and stored electronic energy were used as constituent data for linear regression of the constituent vs. reflectance data throughout the spectral region 0.68 to 2.5 micrometers. High correlations were found in appropriate regions for all three constituents, though that with stored energy is still considered tenuous. Quantitation was improved using 1st and 2nd derivative spectra. High resolution data over a broad spectral range would be required to quantitatively identify iron-bearing clays by remotely sensed reflectance.

  3. Infrared diode laser spectroscopy of lithium hydride

    International Nuclear Information System (INIS)

    Yamada, C.; Hirota, E.

    1988-01-01

    The fundamental and hot bands of the vibration--rotation transitions of 6 LiH, 7 LiH, 6 LiD, and 7 LiD were observed by infrared diode laser spectroscopy at Doppler-limited resolution. Lithium hydride molecules were produced by the reaction of the Li vapor with hydrogen at elevated temperatures. Some 40 transitions were observed and, after combined with submillimeter-wave spectra reported by G. M. Plummer et al. [J. Chem. Phys. 81, 4893 (1984)], were analyzed to yield Dunham-type constants with accuracies more than an order of magnitude higher than those published in the literature. It was clearly demonstrated that the Born--Oppenheimer approximation did not hold, and some parameters representing the breakdown were evaluated. The Born--Oppenheimer internuclear distance r/sup BO//sub e/ was derived to be 1.594 914 26 (59) A, where a new value of Planck's constant recommended by CODATA was employed. The relative intensity of absorption lines was measured to determine the ratio of the permanent dipole moment to its first derivative with respect to the internuclear distance: μ/sub e/ [(partialμpartialr)/sub e/ r/sub e/ ] = 1.743(86). The pressure broadening parameter Δν/sub p/ P was determined to be 6.40 (22) MHzTorr by measuring the linewidth dependence on the pressure of hydrogen, which was about four times larger than the value for the dipole--quadrupole interaction estimated by Kiefer and Bushkovitch's theory

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

    International Nuclear Information System (INIS)

    Takaya, Tomohisa

    2016-01-01

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

  5. Quantum cascade laser infrared spectroscopy of single cancer cells

    KAUST Repository

    Patel, Imran

    2017-03-27

    Quantum cascade laser infrared spectroscopy is a next generation novel imaging technique allowing high resolution spectral imaging of cells. We show after spectral pre-processing, identification of different cancer cell populations within minutes.

  6. Cerebral near infrared spectroscopy oximetry in extremely preterm infants

    DEFF Research Database (Denmark)

    Hyttel-Sorensen, Simon; Pellicer, Adelina; Alderliesten, Thomas

    2015-01-01

    OBJECTIVE: To determine if it is possible to stabilise the cerebral oxygenation of extremely preterm infants monitored by cerebral near infrared spectroscopy (NIRS) oximetry. DESIGN: Phase II randomised, single blinded, parallel clinical trial. SETTING: Eight tertiary neonatal intensive care unit...

  7. Quantum cascade laser infrared spectroscopy of single cancer cells

    KAUST Repository

    Patel, Imran; Rajamanickam, Vijayakumar Palanisamy; Bertoncini, Andrea; Pagliari, Francesca; Tirinato, Luca; Laptenok, Sergey P.; Liberale, Carlo

    2017-01-01

    Quantum cascade laser infrared spectroscopy is a next generation novel imaging technique allowing high resolution spectral imaging of cells. We show after spectral pre-processing, identification of different cancer cell populations within minutes.

  8. Fast infrared spectroscopy in supercritical fluids

    International Nuclear Information System (INIS)

    Sun, X.

    2000-05-01

    Chapter 1: Introduction. A brief introduction to supercritical fluids is given, illustrating why supercritical fluids are unique solvents and why there is a wide application of supercritical fluids in industry and laboratories. Potential ways for solvation in supercritical fluids to affect reactivity are briefly reviewed. A general introduction to the photochemistry of organometallic complexes is also given. Chapter 2: Time resolved vibrational spectroscopy. Time resolved resonance Raman is introduced and compared with Time-resolved infrared spectroscopy (TRIR). The different approaches of TRIR, including microsecond, nanosecond, and ultrafast (picosecond and femtosecond) systems are discussed. The advantages and disadvantages of these systems are also compared. The TRIR apparatus using an IR diode laser used for work in this thesis are described in detail. Experimental procedures for supercritical fluid TRIR experiments are described with emphasis on handling the IR cell for supercritical fluids and preparation of supercritical fluid solutions. Chapter 3: Photochemistry of group VIB hexacarbonyl compounds in supercritical noble gases and CO 2 solutions. A systematic TRIR study of the photolysis of M(CO) 6 in supercritical Ar, Kr, Xe, and CO 2 and the observation of M(CO) 5 L (M = Cr, Mo, and W; L = Ar (W only), Kr, Xe, and CO 2 ) is described. The second-order rate constants for the reaction of M(CO) 5 L with CO have been evaluated and the reactivity for each metal is Kr > Xe ∼ CO 2 . For M(CO) 5 Kr, M(CO) 5 Xe, or M(CO) 5 (CO 2 ), the reactivity is Cr ∼ Mo > W. In supercritical Kr doped with either Xe or CO 2 , the M(CO) 5 moiety interacts with Xe or CO 2 in preference to Kr. The effect of solvent density on the rate of the reaction of W(CO) 5 (CO 2 ) with CO has been investigated. The reaction of W(CO) 5 (CO 2 ) with CO in scCO 2 is predominantly a dissociative process. The activation energies for the reaction of W(CO) 5 Xe and W(CO) 5 (CO 2 ) with CO and

  9. The Role of Water Distribution Controlled by Transmembrane Potentials in the Cytochrome c-Cardiolipin Interaction: Revealing from Surface-Enhanced Infrared Absorption Spectroscopy.

    Science.gov (United States)

    Zeng, Li; Wu, Lie; Liu, Li; Jiang, Xiue

    2017-11-02

    The interaction of cytochrome c (cyt c) with cardiolipin (CL) plays a crucial role in apoptotic functions, however, the changes of the transmembrane potential in governing the protein behavior at the membrane-water interface have not been studied due to the difficulties in simultaneously monitoring the interaction and regulating the electric field. Herein, surface-enhanced infrared absorption (SEIRA) spectroelectrochemistry is employed to study the mechanism of how the transmembrane potentials control the interaction of cyt c with CL membranes by regulating the electrode potentials of an Au film. When the transmembrane potential decreases, the water content at the interface of the membranes can be increased to slow down protein adsorption through decreasing the hydrogen-bond and hydrophobic interactions, but regulates the redox behavior of CL-bound cyt c through a possible water-facilitated proton-coupled electron transfer process. Our results suggest that the potential drop-induced restructure of the CL conformation and the hydration state could modify the structure and function of CL-bound cyt c on the lipid membrane. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Structural characterization of ammonium uranate by infrared spectroscopy

    International Nuclear Information System (INIS)

    Rodriguez S, A.

    1994-01-01

    Infrared spectroscopy have been used to investigate the chemical composition of some ammonium uranates. In this study, I have attempted to establish the interrelationship between the structure of the products, the character of their infrared spectra and x-ray diffraction data capable of consistent interpretation in terms of defining the compounds. (Author)

  11. IR Cards: Inquiry-Based Introduction to Infrared Spectroscopy

    Science.gov (United States)

    Bennett, Jacqueline; Forster, Tabetha

    2010-01-01

    As infrared spectroscopy (IR) is frequently used in undergraduate organic chemistry courses, an inductive introduction to IR spectroscopy that uses index cards printed with spectra, structures, and chemical names is described. Groups of students are given an alphabetized deck of these "IR cards" to sort into functional groups. The students then…

  12. Near-infrared spectroscopy during peripheral vascular surgery

    DEFF Research Database (Denmark)

    Eiberg, J P; Schroeder, T V; Vogt, K C

    1997-01-01

    Near-infrared spectroscopy was performed perioperatively on the dorsum of the foot in 14 patients who underwent infrainguinal bypass surgery using a prosthesis or the greater saphenous vein. Dual-wavelength continuous light spectroscopy was used to assess changes in tissue saturation before, duri...

  13. Infrared characterization of environmental samples by pulsed photothermal spectroscopy

    International Nuclear Information System (INIS)

    Seidel, W.; Foerstendorf, H.; Heise, K.H.; Nicolai, R.; Schamlott, A.; Ortega, J.M.; Glotin, F.; Prazeres, R.

    2004-01-01

    Low concentration of toxic radioactive metals in environmental samples often limits the interpretation of results of infrared studies investigating the interaction processes between the metal ions and environmental compartments. For the first time, we could show that photothermal infrared spectroscopy performed with a pulsed free electron laser can provide reliable infrared spectra throughout a distinct spectral range of interest. In this model investigation, we provide vibrational absorption spectra of a rare earth metal salt dissolved in a KBr matrix and a natural calcite sample obtained by photothermal beam deflection (PTBD) technique and FT-IR (Fourier-transform infrared) spectroscopy, respectively. General agreement was found between all spectra of the different recording techniques. Spectral deviations were observed with samples containing low concentration of the rare earth metal salt indicating a lower detection limit of the photothermal method as compared to conventional FT-IR spectroscopy. (authors)

  14. Infrared spectroscopy of self-assembled monolayer films on silicon

    Science.gov (United States)

    Rowell, N. L.; Tay, Lilin; Boukherroub, R.; Lockwood, D. J.

    2007-07-01

    Infrared vibrational spectroscopy in an attenuated total reflection (ATR) geometry has been employed to investigate the presence of organic thin layers on Si-wafer surfaces. The phenomena have been simulated to show there can be a field enhancement with the presented single-reflection ATR (SR-ATR) approach which is substantially larger than for conventional ATR or specular reflection. In SR-ATR, a discontinuity of the field normal to the film contributes a field enhancement in the lower index thin film causing a two order of magnitude increase in sensitivity. SR-ATR was employed to characterize a single monolayer of undecylenic acid self-assembled on Si(1 1 1) and to investigate a two monolayer system obtained by adding a monolayer of bovine serum albumin protein.

  15. Far-infrared spectroscopy of HII regions

    International Nuclear Information System (INIS)

    Emery, R.J.; Kessler, M.F.

    1984-01-01

    Interest has developed rapidly in the astrophysics associated with far-infrared line emission from ionised regions, following the development of spectroscopic instruments and observing facilities appropriate to those wavelengths. Far-infrared observations and their interpretation are now at the stage where the need for specific developments in theoretical and laboratory work have been identified. The need is also apparent for the development of models dealing with more realistic astrophysical situations. (Auth.)

  16. Infrared spectroscopy of Landau levels of graphene.

    Science.gov (United States)

    Jiang, Z; Henriksen, E A; Tung, L C; Wang, Y-J; Schwartz, M E; Han, M Y; Kim, P; Stormer, H L

    2007-05-11

    We report infrared studies of the Landau level (LL) transitions in single layer graphene. Our specimens are density tunable and show in situ half-integer quantum Hall plateaus. Infrared transmission is measured in magnetic fields up to B=18 T at selected LL fillings. Resonances between hole LLs and electron LLs, as well as resonances between hole and electron LLs, are resolved. Their transition energies are proportional to sqrt[B], and the deduced band velocity is (-)c approximately equal to 1.1 x 10(6) m/s. The lack of precise scaling between different LL transitions indicates considerable contributions of many-particle effects to the infrared transition energies.

  17. Cancer diagnosis by infrared spectroscopy: methodological aspects

    Science.gov (United States)

    Jackson, Michael; Kim, Keith; Tetteh, John; Mansfield, James R.; Dolenko, Brion; Somorjai, Raymond L.; Orr, F. W.; Watson, Peter H.; Mantsch, Henry H.

    1998-04-01

    IR spectroscopy is proving to be a powerful tool for the study and diagnosis of cancer. The application of IR spectroscopy to the analysis of cultured tumor cells and grading of breast cancer sections is outlined. Potential sources of error in spectral interpretation due to variations in sample histology and artifacts associated with sample storage and preparation are discussed. The application of statistical techniques to assess differences between spectra and to non-subjectively classify spectra is demonstrated.

  18. Use of total internal reflection Raman (TIR) and attenuated total reflection infrared (ATR-IR) spectroscopy to analyze component separation in thin offset ink films after setting on coated paper surfaces.

    Science.gov (United States)

    Kivioja, Antti; Hartus, Timo; Vuorinen, Tapani; Gane, Patrick; Jääskeläinen, Anna-Stiina

    2013-06-01

    The interactive behavior of ink constituents with porous substrates during and after the offset print process has an important effect on the quality of printed products. To help elucidate the distribution of ink components between the retained ink layer and the substrate, a variety of spectroscopic and microscopic analysis techniques have been developed. This paper describes for the first time the use of total internal reflection (TIR) Raman spectroscopy to analyze the penetration behavior of separated offset ink components (linseed oil, solid color pigment) in coated papers providing chemically intrinsic information rapidly, nondestructively, and with minimal sample preparation. In addition, the already widely applied technique of attenuated total reflection infrared spectroscopy (ATR-IR) was evaluated in parallel and compared. The results of the ATR-IR Raman clearly revealed an improvement in uppermost depth resolution compared with values previously published from other nondestructive techniques, and the method is shown to be capable of providing new knowledge of the setting of thin (0.25-2 μm) offset ink films, allowing the spreading and the penetration behavior on physically different paper coating surfaces to be studied.

  19. WW Domain Folding Complexity Revealed by Infrared Spectroscopy

    OpenAIRE

    Davis, Caitlin M.; Dyer, R. Brian

    2014-01-01

    Although the intrinsic tryptophan fluorescence of proteins offers a convenient probe of protein folding, interpretation of the fluorescence spectrum is often difficult because it is sensitive to both global and local changes. Infrared (IR) spectroscopy offers a complementary measure of structural changes involved in protein folding, because it probes changes in the secondary structure of the protein backbone. Here we demonstrate the advantages of using multiple probes, infrared and fluorescen...

  20. Application of infrared spectroscopy for diagnosis of kidney tumor tissue

    OpenAIRE

    Bandzevičiūtė, Rimantė

    2016-01-01

    Application of Infrared Spectroscopy for Diagnosis of Kidney Tumor Tissue It is possible to apply the technique of an attenuated total reflection of infrared radiation (ATR IR) for the characterisation of the removed tissues during the surgery. Application of this method for interstitium of the removed tissue does not require any specific sample preparation. For this reason ATR IR technique applied for the interstitium allows to get information about tissues immediately after surgical operati...

  1. Infrared and Raman Spectroscopy Principles and Spectral Interpretation

    CERN Document Server

    Larkin, Peter

    2011-01-01

    Infrared and Raman Spectroscopy: Principles and Spectral Interpretation explains the background, core principles and tests the readers understanding of the important techniques of Infrared and Raman Spectroscopy. These techniques are used by chemists, environmental scientists, forensic scientists etc to identify unknown chemicals. In the case of an organic chemist these tools are part of an armory of techniques that enable them to conclusively prove what compound they have made, which is essential for those being used in medical applications. The book reviews basic principles, instrumentation

  2. Infrared absorption spectroscopy and chemical kinetics of free radicals

    Energy Technology Data Exchange (ETDEWEB)

    Curl, R.F.; Glass, G.P. [Rice Univ., Houston, TX (United States)

    1993-12-01

    This research is directed at the detection, monitoring, and study of chemical kinetic behavior by infrared absorption spectroscopy of small free radical species thought to be important intermediates in combustion. During the last year, infrared kinetic spectroscopy using excimer laser flash photolysis and color-center laser probing has been employed to study the high resolution spectrum of HCCN, the rate constant of the reaction between ethynyl (C{sub 2}H) radical and H{sub 2} in the temperature region between 295 and 875 K, and the recombination rate of propargyl (CH{sub 2}CCH) at room temperature.

  3. Far infrared spectroscopy of H II regions

    International Nuclear Information System (INIS)

    Ward, D.B.

    1976-01-01

    A fully liquid helium cooled grating spectrometer has been developed for far infrared observations from the NASA Lear Jet. This instrument has been used in observations of the galactic HII regions M42 and M17. The instrument is described, and the results of various performance tests and calibrations are presented. The methods employed in observations from the Lear Jet are described, and the data analysis procedures are discussed. The results of a search for the (O III) 88.16 micron fine structure line are presented. The intensity of the line in M17 is reported, and an upper limit given for the intensity in M42. These results are compared with theoretical predictions, and future applications of infrared line observations are discussed. Coarse resolution spectra of M42 and M17 from 45 to 115 microns are also presented. The emission from M42 is shown to be a very smooth function of wavelength, closely fitting the wavelength dependence of a 105 0 K graybody. The spectrum of M17 is very different, having a bump at approximately 75 microns and a general far infrared excess. The observed spectrum is compared to the predictions of models for M17

  4. Fourier transform infrared spectroscopy for sepia melanin

    CSIR Research Space (South Africa)

    Mbonyiryivuze, A

    2015-08-01

    Full Text Available Spectroscopy (FTIR) for assessing biogenic silica sample purity in geochemical analyses and palaeoenvironmental research,” Climate of the Past, vol. 7, p. 65- 74, 2011. [12] P. N. R. Sundar, Films minces à base de Si nanostructuré pour des cellules...

  5. Two-dimensional spectroscopy at infrared and optical frequencies

    OpenAIRE

    Hochstrasser, Robin M.

    2007-01-01

    This Perspective on multidimensional spectroscopy in the optical and infrared spectral regions focuses on the principles and the scientific and technical challenges facing these new fields. The methods hold great promise for advances in the visualization of time-dependent structural changes in complex systems ranging from liquids to biological assemblies, new materials, and fundamental physical processes. The papers in this special feature on multidimensional spectroscopy in chemistry, physic...

  6. Galileo infrared imaging spectroscopy measurements at venus

    Science.gov (United States)

    Carlson, R.W.; Baines, K.H.; Encrenaz, Th.; Taylor, F.W.; Drossart, P.; Kamp, L.W.; Pollack, James B.; Lellouch, E.; Collard, A.D.; Calcutt, S.B.; Grinspoon, D.; Weissman, P.R.; Smythe, W.D.; Ocampo, A.C.; Danielson, G.E.; Fanale, F.P.; Johnson, T.V.; Kieffer, H.H.; Matson, D.L.; McCord, T.B.; Soderblom, L.A.

    1991-01-01

    During the 1990 Galileo Venus flyby, the Near Infrared Mapping Spectrometer investigated the night-side atmosphere of Venus in the spectral range 0.7 to 5.2 micrometers. Multispectral images at high spatial resolution indicate substantial cloud opacity variations in the lower cloud levels, centered at 50 kilometers altitude. Zonal and meridional winds were derived for this level and are consistent with motion of the upper branch of a Hadley cell. Northern and southern hemisphere clouds appear to be markedly different. Spectral profiles were used to derive lower atmosphere abundances of water vapor and other species.

  7. Quantifying cerebral hypoxia by near-infrared spectroscopy tissue oximetry

    DEFF Research Database (Denmark)

    Rasmussen, Martin B.; Eriksen, Vibeke R.; Andresen, Bjørn

    2017-01-01

    Tissue oxygenation estimated by near-infrared spectroscopy (NIRS) is a volume-weighted mean of the arterial and venous hemoglobin oxygenation. In vivo validation assumes a fixed arterial-to-venous volume-ratio (AV-ratio). Regulatory cerebro-vascular mechanisms may change the AV-ratio. We used...

  8. Progress in far-infrared spectroscopy: Approximately 1890 to 1970

    Science.gov (United States)

    Mitsuishi, Akiyoshi

    2014-03-01

    The history of far-infrared spectroscopy from its beginning to around 1970 is reviewed. Before World War II, the size of the community investigating this topic was limited. During this period, in particular before 1925, about 90% of the papers were published by H. Rubens and his co-workers in Germany. One or two researchers from the US joined the Rubens group per year from 1890 to the beginning of 1910. During the next year or two, some researchers joined M. Czerny, who is seen as the successor of Rubens. After World War II, far-infrared techniques progressed further in the US, which did not suffer damage during the war. The advanced techniques of far-infrared grating spectroscopy were transferred from the US (R. A. Oetjen) to Japan (H. Yoshinaga). Yoshinaga and his co-workers expanded the techniques by themselves. This paper describes the historical development of far-infrared spectroscopy before Fourier transform spectroscopy became popular around 1970.

  9. WW domain folding complexity revealed by infrared spectroscopy.

    Science.gov (United States)

    Davis, Caitlin M; Dyer, R Brian

    2014-09-02

    Although the intrinsic tryptophan fluorescence of proteins offers a convenient probe of protein folding, interpretation of the fluorescence spectrum is often difficult because it is sensitive to both global and local changes. Infrared (IR) spectroscopy offers a complementary measure of structural changes involved in protein folding, because it probes changes in the secondary structure of the protein backbone. Here we demonstrate the advantages of using multiple probes, infrared and fluorescence spectroscopy, to study the folding of the FBP28 WW domain. Laser-induced temperature jumps coupled with fluorescence or infrared spectroscopy have been used to probe changes in the peptide backbone on the submillisecond time scale. The relaxation dynamics of the β-sheets and β-turn were measured independently by probing the corresponding IR bands assigned in the amide I region. Using these wavelength-dependent measurements, we observe three kinetics phases, with the fastest process corresponding to the relaxation kinetics of the turns. In contrast, fluorescence measurements of the wild-type WW domain and tryptophan mutants exhibit single-exponential kinetics with a lifetime that corresponds to the slowest phase observed by infrared spectroscopy. Mutant sequences provide evidence of an intermediate dry molten globule state. The slowest step in the folding of this WW domain is the tight packing of the side chains in the transition from the dry molten globule intermediate to the native structure. This study demonstrates that using multiple complementary probes enhances the interpretation of protein folding dynamics.

  10. Waiting Time Dynamics in Two-Dimensional Infrared Spectroscopy

    NARCIS (Netherlands)

    Jansen, Thomas L. C.; Knoester, Jasper

    We review recent work on the waiting time dynamics of coherent two-dimensional infrared (2DIR) spectroscopy. This dynamics can reveal chemical and physical processes that take place on the femto- and picosecond time scale, which is faster than the time scale that may be probed by, for example,

  11. Mid-infrared quantum cascade laser spectroscopy probing of the ...

    Indian Academy of Sciences (India)

    Aparajeo Chattopadhyay

    2018-05-07

    May 7, 2018 ... cm3 molecule. −1 s. −1 ... Quantum cascade laser; time-resolved mid-infrared spectroscopy; transient absorption; peroxy radicals .... peak of the laser emission profile. .... cal with O2 is a termolecular reaction (Eq. 3) and the.

  12. Fourier transform infrared (FTIR) spectroscopy for identification of ...

    African Journals Online (AJOL)

    Fourier transform infrared (FTIR) spectroscopy was used in this study to identify and determine spectral features of Chlorella vulgaris Beijerinck 1890 and Scenedesmus obliquus (Turpin) Kützing 1833. Two cultures were grown in a chemically-defined media under photoautotrophic culture conditions isolated from eutrophic ...

  13. Forensic applications of microscopical infrared internal reflection spectroscopy

    Science.gov (United States)

    Tungol, Mary W.; Bartick, Edward G.; Reffner, John A.

    1994-01-01

    Applications of microscopical infrared internal reflection spectroscopy in forensic science are discussed. Internal reflection spectra of single fibers, hairs, paint chips, vehicle rubber bumpers, photocopy toners, carbon copies, writing ink on paper, lipstick on tissue, black electrical tape, and other types of forensic evidence have been obtained. The technique is convenient, non-destructive, and may permit smeared materials to be analyzed in situ.

  14. Broadband integrated mid infrared light sources as enabling technology for point of care mid-infrared spectroscopy

    Science.gov (United States)

    2017-08-20

    AFRL-AFOSR-JP-TR-2017-0061 Broadband integrated mid-infrared light sources as enabling technology for point-of-care mid- infrared spectroscopy Alex...mid-infrared light sources as enabling technology for point-of-care mid-infrared spectroscopy 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386-16-1-4037...Broadband integrated mid-infrared light sources as enabling technology for point-of-care mid- infrared spectroscopy ” Date: 16th August 2017 Name

  15. High resolution spectroscopy in the microwave and far infrared

    Science.gov (United States)

    Pickett, Herbert M.

    1990-01-01

    High resolution rotational spectroscopy has long been central to remote sensing techniques in atmospheric sciences and astronomy. As such, laboratory measurements must supply the required data to make direct interpretation of data for instruments which sense atmospheres using rotational spectra. Spectral measurements in the microwave and far infrared regions are also very powerful tools when combined with infrared measurements for characterizing the rotational structure of vibrational spectra. In the past decade new techniques were developed which have pushed high resolution spectroscopy into the wavelength region between 25 micrometers and 2 mm. Techniques to be described include: (1) harmonic generation of microwave sources, (2) infrared laser difference frequency generation, (3) laser sideband generation, and (4) ultrahigh resolution interferometers.

  16. Computing protein infrared spectroscopy with quantum chemistry.

    Science.gov (United States)

    Besley, Nicholas A

    2007-12-15

    Quantum chemistry is a field of science that has undergone unprecedented advances in the last 50 years. From the pioneering work of Boys in the 1950s, quantum chemistry has evolved from being regarded as a specialized and esoteric discipline to a widely used tool that underpins much of the current research in chemistry today. This achievement was recognized with the award of the 1998 Nobel Prize in Chemistry to John Pople and Walter Kohn. As the new millennium unfolds, quantum chemistry stands at the forefront of an exciting new era. Quantitative calculations on systems of the magnitude of proteins are becoming a realistic possibility, an achievement that would have been unimaginable to the early pioneers of quantum chemistry. In this article we will describe ongoing work towards this goal, focusing on the calculation of protein infrared amide bands directly with quantum chemical methods.

  17. Infrared quantitative spectroscopy and planetary atmospheres

    Science.gov (United States)

    Flaud, J.-M.

    2009-04-01

    Optical measurements of atmospheric minor constituents are carried out using spectrometers working in the UV-visible, infrared and microwave spectral ranges. In all cases the quality of the analysis and of the interpretation of the atmospheric spectra requires the best possible knowledge of the molecular parameters of the species of interest. To illustrate this point we will concentrate on recent laboratory studies of nitric acid, chlorine nitrate and formaldehyde. Nitric acid is one of the important minor constituent of the terrestrial atmosphere. Using new and accurate experimental results concerning the spectroscopic properties of the H14NO3 and H15NO3 molecules, as well as improved theoretical methods (Perrin et al., 2004), it has been possible to generate an improved set of line parameters for these molecules in the 11.2 μm spectral region. These line parameters were used to detect for the first time the H15NO3 molecule in the atmosphere analyzing atmospheric spectra recorded by the MIPAS experiment. The retrievals of chlorine nitrate profiles are usually performed using absorption cross sections (Birk and Wagner, 2003). Following a high resolution analysis of the ν3 and ν4bands of this species in the 12.8 μm region wepropose, as a possibility, to use line by line calculation simulating its ν4Q-branch for the atmospheric temperature and pressure ranges. For the measurement of atmospheric formaldehyde concentrations, mid-infrared and ultraviolet absorptions are both used by ground, air or satellite instruments. It is then of the utmost importance to have consistent spectral parameters in these various spectral domains. Consequently the aim of the study performed at LISA (Gratien et al., 2007) was to intercalibrate formaldehyde spectra in the infrared and ultraviolet regions acquiring simultaneously UV and IR spectra using a common optical cell. The results of the work will be presented. Also high resolution infrared data derived from Perrin et al., 2003

  18. Bird sexing by Fourier transform infrared spectroscopy

    Science.gov (United States)

    Steiner, Gerald; Bartels, Thomas; Krautwald-Junghanns, Maria-Elisabeth; Koch, Edmund

    2010-02-01

    Birds are traditionally classified as male or female based on their anatomy and plumage color as judged by the human eye. Knowledge of a bird's gender is important for the veterinary practitioner, the owner and the breeder. The accurate gender determination is essential for proper pairing of birds, and knowing the gender of a bird will allow the veterinarian to rule in or out gender-specific diseases. Several biochemical methods of gender determination have been developed for avian species where otherwise the gender of the birds cannot be determined by their physical appearances or characteristics. In this contribution, we demonstrate that FT-IR spectroscopy is a suitable tool for a quick and objective determination of the bird's gender. The method is based on differences in chromosome size. Male birds have two Z chromosomes and female birds have a W-chromosome and a Z-chromosome. Each Z-chromosome has approx. 75.000.000 bps whereas the W-chromosome has approx. 260.00 bps. This difference can be detected by FT-IR spectroscopy. Spectra were recorded from germ cells obtained from the feather pulp of chicks as well as from the germinal disk of fertilized but non-bred eggs. Significant changes between cells of male and female birds occur in the region of phosphate vibrations around 1080 and 1120 cm-1.

  19. Characterization of molecular organization in pentacene thin films on SiO{sub 2} surface using infrared spectroscopy, spectroscopic ellipsometry, and atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Frątczak, E.Z., E-mail: ewelinazofia@gmail.com [Faculty of Physics and Applied Informatics, University of Łódź, 90-236 Łódź, Pomorska 149/153 (Poland); Uznański, P., E-mail: puznansk@cbmm.lodz.pl [Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, 90-363 Łódź, Sienkiewicza 112 (Poland); Moneta, M.E. [Faculty of Physics and Applied Informatics, University of Łódź, 90-236 Łódź, Pomorska 149/153 (Poland)

    2015-07-29

    Highlights: • Pentacene thin films of different thickness grown onto SiO{sub 2} substrates were studied. • Polarized IR GATR spectra were recorded and conclusions on pentacene orientation were deduced. • Optical anisotropic properties and morphology of pentacene films were analyzed. • Dielectric properties vary to some extent with the film thickness. - Abstract: Thin films of pentacene of 32 and 100 nm thickness obtained by organic molecular beam deposition (OMBD) in high vacuum conditions onto silicon/native silica (Si/SiO{sub 2}) and fused silica substrates were examined. Alignment, anisotropic optical properties and morphology were studied in ambient conditions using infrared (IR) transmission and polarized grazing angle attenuated total reflection (GATR) techniques, variable angle spectroscopic ellipsometry (VASE), UV–VIS absorption, and atomic force microscopy (AFM). For the first time dichroic GATR IR spectra were recorded for such thin films and conclusions on pentacene orientation were deduced on the basis of dichroic ratio of the IR-active vibrations. The symmetry assignment of the vibrational transitions is also discussed. The films exhibit continuous globular texture with uniaxial alignment of pentacene molecules and strongly anisotropic optical properties evidenced in the ellipsometric measurements. The results revealed that there are some quantitative differences in the orientation and in the dielectric properties between the two pentacene films of different thickness.

  20. The use of in situ Fourier-transform infrared spectroscopy for the study of surface phenomena on electrodes in selected lithium battery electrolyte solutions

    Science.gov (United States)

    Aurbach, D.; Chusid, O.

    This paper presents some examples of surface studies of noble metals and Li electrodes in Li battery electrolyte solutions using in situ FT-IR spectroscopic techniques. These examples include the study of a mixture of solvents, the role of the reduction of salt in the build-up of surface films on the electrodes and the impact of contaminants such as traces of oxgen and water. The techniques included multiple and single internal reflectance modes and external reflectance (SNIFTIRS-type) mode. The following conclusions were drawn from this study: (i) salts containing the -SO 2CF 3 group are much more reactive on Li than LiAsF 6. Their reduction dominates the surface chemistry developed on Li in ethereal solutions; (ii) water reduction on Li in wet 1,3-dioxolane solution may not form stable LiOH films due to the further reaction of the hydroxy group with the solvent; (iii) in spite of its low solubility, oxygen dissolved in propylene carbonate and tetrahydrofuran solutions has some impact on the surface chemistry developed on Li in these solutions (probably due to Li 2O formation).

  1. Infrared Spectroscopy of Discrete Uranyl Anion Complexes

    International Nuclear Information System (INIS)

    Groenewold, G. S.; Gianotto, Anita K.; McIIwain, Michael E.; Van Stipdonk, Michael J.; Kullman, Michael; Moore, David T.; Polfer, Nick; Oomens, Jos; Infante, Ivan A.; Visscher, Lucas; Siboulet, Bertrand; De Jong, Wibe A.

    2008-01-01

    The Free-Electron Laser for Infrared Experiments (FELIX) w 1 as used to study the wavelength-resolved multiple photon photodissociation of discrete, gas phase uranyl (UO2 2 2+) complexes containing a single anionic ligand (A), with or without ligated solvent molecules (S). The uranyl antisymmetric and symmetric stretching frequencies were measured for complexes with general formula [UO2A(S)n]+, where A was either hydroxide, methoxide, or acetate; S was water, ammonia, acetone, or acetonitrile; and n = 0-3. The values for the antisymmetric stretching frequency for uranyl ligated with only an anion ([UO2A]+) were as low or lower than measurements for [UO2]2+ ligated with as many as five strong neutral donor ligands, and are comparable to solution phase values. This result was surprising because initial DFT calculations predicted values that were 30-40 cm-1 higher, consistent with intuition but not with the data. Modification of the basis sets and use of alternative functionals improved computational accuracy for the methoxide and acetate complexes, but calculated values for the hydroxide were greater than the measurement regardless of the computational method used. Attachment of a neutral donor ligand S to [UO2A]+ produced [UO2AS]+, which produced only very modest changes to the uranyl antisymmetric stretch frequency, and did not universally shift the frequency to lower values. DFT calculations for [UO2AS]+ were in accord with trends in the data, and showed that attachment of the solvent was accommodated by weakening of the U-anion bond as well as the uranyl. When uranyl frequencies were compared for [UO2AS]+ species having different solvent neutrals, values decreased with increasing neutral nucleophilicity

  2. Fourier transform infrared spectroscopy in physics laboratory courses

    International Nuclear Information System (INIS)

    Möllmann, K-P; Vollmer, M

    2013-01-01

    Infrared spectrometry is one of the most important tools in the field of spectroscopic analysis. This is due to the high information content of spectra in the so-called spectroscopic fingerprint region, which enables measurement not only of gases, but also of liquids and solids. Today, infrared spectroscopy is almost completely dominated by Fourier transform infrared (FTIR) spectroscopy. FTIR spectroscopy is able to detect minute quantities in the ppm and ppb ranges, and the respective analyses are now standard tools in science as well as industry. Therefore FTIR spectroscopy should be taught within the standard curriculum at university to physicists and engineers. Here we present respective undergraduate laboratory experiments designed for students at the end of their third year. Experiments deal first with understanding the spectrometer and second with recording and analysing spectra. On the one hand, transmission spectra of gases are treated which relate to environmental analytics (being probably the most prominent and well-known examples), and on the other hand, the focus is on the transmission and reflection spectra of solids. In particular, silicon wafers are studied—as is regularly done in the microelectronics industry—in order to characterize their thickness, oxygen content and phonon modes. (paper)

  3. Infrared Spectroscopy Beamline Based on a Tabletop Storage Ring

    OpenAIRE

    Haque, Md. Monirul; Moon, Ahsa; Yamada, Hironari

    2012-01-01

    An optical beamline dedicated to the infrared (IR) spectroscopy has been constructed at MIRRORCLE, a tabletop storage ring. The beamline has been designed for the use of infrared synchrotron radiation (IRSR) emitted from a bending magnet of 156 mm bending radius with the acceptance angle of 355(H) × 138(V) mrad to obtain high flux. The IR emission is forced by an exactly circular optics, named photon storage ring (PhSR), placed around the electron orbit and is collected by a “magic mirror” as...

  4. Synchrotron-based far-infrared spectroscopy of nickel tungstate

    International Nuclear Information System (INIS)

    Kalinko, A.; Kuzmin, A.; Roy, P.; Evarestov, R.A.

    2016-01-01

    Monoclinic antiferromagnetic NiWO 4 was studied by far-infrared (30-600 cm -1 ) absorption spectroscopy in the temperature range of 5-300 K using the synchrotron radiation from SOLEIL source. Two isomorphous CoWO 4 and ZnWO 4 tungstates were investigated for comparison. The phonon contributions in the far-infrared range of tungstates were interpreted using the first-principles spin-polarized linear combination of atomic orbital calculations. No contributions from magnetic excitations were found in NiWO 4 and CoWO 4 below their Neel temperatures down to 5 K.

  5. Exploring proton doping in poly-3-methylpyrrole by infrared spectroscopy

    International Nuclear Information System (INIS)

    Sanchez de la Blanca, E.; Carrillo, I.; Redondo, M.I.; Gonzalez-Tejera, M.J.; Garcia, M.V.

    2007-01-01

    Structural changes induced by electrochemical redox processes or by pH variations on conducting poly-3-methylpyrrole, electrochemically synthesized in NaClO 4 acetonitrile solution, have been studied by infrared spectroscopy. With this aim infrared spectra of perchlorate doped poly-3-methylpyrrole films at different oxidation states as well as after immersion in acid (pH = 1) and basic (pH = 12.6) aqueous solutions have been analysed. The existence of proton-doping mechanism in this polymer has been confirmed from the comparative study of spectra of oxidized/reduced and acid/basic treated polymer

  6. Breast phantom for mammary tissue characterization by near infrared spectroscopy

    International Nuclear Information System (INIS)

    Miranda, D A; Cristiano, K L; Gutiérrez, J C

    2013-01-01

    Breast cancer is a disease associated to a high morbidity and mortality in the entire world. In the study of early detection of breast cancer the development of phantom is so important. In this research we fabricate a breast phantom using a ballistic gel with special modifications to simulate a normal and abnormal human breast. Optical properties of woman breast in the near infrared region were modelled with the phantom we developed. The developed phantom was evaluated with near infrared spectroscopy in order to study its relation with breast tissue. A good optical behaviour was achieved with the model fabricated

  7. Surface Inspection Machine Infrared (SIMIR). Final CRADA report

    Energy Technology Data Exchange (ETDEWEB)

    Powell, G.L. [Lockheed Martin Energy Systems, Inc., Oak Ridge, TN (United States); Neu, J.T.; Beecroft, M. [Surface Optics Corp., San Diego, CA (United States)

    1997-02-28

    This Cooperative Research and Development Agreement was a one year effort to make the surface inspection machine based on diffuse reflectance infrared spectroscopy (Surface Inspection Machine-Infrared, SIMIR), being developed by Surface Optics Corporation, perform to its highest potential as a practical, portable surface inspection machine. The design function of the SIMIR is to inspect metal surfaces for cleanliness (stains). The system is also capable of evaluating graphite-resin systems for cure and heat damage, and for measuring the effects of moisture exposure on lithium hydride, corrosion on uranium metal, and the constituents of and contamination on wood, paper, and fabrics. Over the period of the CRADA, extensive experience with the use of the SIMIR for surface cleanliness measurements have been achieved through collaborations with NASA and the Army. The SIMIR was made available to the AMTEX CRADA for Finish on Yarn where it made a very significant contribution. The SIMIR was the foundation of a Forest Products CRADA that was developed over the time interval of this CRADA. Surface Optics Corporation and the SIMIR have been introduced to the chemical spectroscopy on-line analysis market and have made staffing additions and arrangements for international marketing of the SIMIR as an on-line surface inspection device. LMES has been introduced to a wide range of aerospace applications, the research and fabrication skills of Surface Optics Corporation, has gained extensive experience in the areas of surface cleanliness from collaborations with NASA and the Army, and an extensive introduction to the textile and forest products industries. The SIMIR, marketed as the SOC-400, has filled an important new technology need in the DOE-DP Enhanced Surveillance Program with instruments delivered to or on order by LMES, LANL, LLNL, and Pantex, where extensive collaborations are underway to implement and improve this technology.

  8. Surface Inspection Machine Infrared (SIMIR). Final CRADA report

    International Nuclear Information System (INIS)

    Powell, G.L.; Neu, J.T.; Beecroft, M.

    1997-01-01

    This Cooperative Research and Development Agreement was a one year effort to make the surface inspection machine based on diffuse reflectance infrared spectroscopy (Surface Inspection Machine-Infrared, SIMIR), being developed by Surface Optics Corporation, perform to its highest potential as a practical, portable surface inspection machine. The design function of the SIMIR is to inspect metal surfaces for cleanliness (stains). The system is also capable of evaluating graphite-resin systems for cure and heat damage, and for measuring the effects of moisture exposure on lithium hydride, corrosion on uranium metal, and the constituents of and contamination on wood, paper, and fabrics. Over the period of the CRADA, extensive experience with the use of the SIMIR for surface cleanliness measurements have been achieved through collaborations with NASA and the Army. The SIMIR was made available to the AMTEX CRADA for Finish on Yarn where it made a very significant contribution. The SIMIR was the foundation of a Forest Products CRADA that was developed over the time interval of this CRADA. Surface Optics Corporation and the SIMIR have been introduced to the chemical spectroscopy on-line analysis market and have made staffing additions and arrangements for international marketing of the SIMIR as an on-line surface inspection device. LMES has been introduced to a wide range of aerospace applications, the research and fabrication skills of Surface Optics Corporation, has gained extensive experience in the areas of surface cleanliness from collaborations with NASA and the Army, and an extensive introduction to the textile and forest products industries. The SIMIR, marketed as the SOC-400, has filled an important new technology need in the DOE-DP Enhanced Surveillance Program with instruments delivered to or on order by LMES, LANL, LLNL, and Pantex, where extensive collaborations are underway to implement and improve this technology

  9. Study on Senna alata and its different extracts by Fourier transform infrared spectroscopy and two-dimensional correlation infrared spectroscopy

    Science.gov (United States)

    Adiana, M. A.; Mazura, M. P.

    2011-04-01

    Senna alata L. commonly known as candle bush belongs to the family of Fabaceae and the plant has been reported to possess anti-inflammatory, analgesic, laxative and antiplatelet-aggregating activity. In order to develop a rapid and effective analysis method for studying integrally the main constituents in the medicinal materials and their extracts, discriminating the extracts from different extraction process, comparing the categories of chemical constituents in the different extracts and monitoring the qualities of medicinal materials, we applied Fourier transform infrared spectroscopy (FT-IR) associated with second derivative infrared spectroscopy and two-dimensional infrared correlation spectroscopy (2D-IR) to study the main constituents of S. alata and its different extracts (extracted by hexane, dichloromethane, ethyl acetate and methanol in turn). The findings indicated that FT-IR and 2D-IR can provide many holistic variation rules of chemical constituents. Use of the macroscopical fingerprint characters of FT-IR and 2D-IR spectrum can identify the main chemical constituents in medicinal materials and their extracts, but also compare the components differences among similar samples. In a conclusion, FT-IR spectroscopy combined with 2D correlation analysis provides a powerful method for the quality control of traditional medicines.

  10. Protein folding and misfolding shining light by infrared spectroscopy

    CERN Document Server

    Fabian, Heinz

    2012-01-01

    Infrared spectroscopy is a new and innovative technology to study protein folding/misfolding events in the broad arsenal of techniques conventionally used in this field. The progress in understanding protein folding and misfolding is primarily due to the development of biophysical methods which permit to probe conformational changes with high kinetic and structural resolution. The most commonly used approaches rely on rapid mixing methods to initiate the folding event via a sudden change in solvent conditions. Traditionally, techniques such as fluorescence, circular dichroism or visible absorption are applied to probe the process. In contrast to these techniques, infrared spectroscopy came into play only very recently, and the progress made in this field up to date which now permits to probe folding events over the time scale from picoseconds to minutes has not yet been discussed in a book. The aim of this book is to provide an overview of the developments as seen by some of the main contributors to the field...

  11. Imperial College near infrared spectroscopy neuroimaging analysis framework.

    Science.gov (United States)

    Orihuela-Espina, Felipe; Leff, Daniel R; James, David R C; Darzi, Ara W; Yang, Guang-Zhong

    2018-01-01

    This paper describes the Imperial College near infrared spectroscopy neuroimaging analysis (ICNNA) software tool for functional near infrared spectroscopy neuroimaging data. ICNNA is a MATLAB-based object-oriented framework encompassing an application programming interface and a graphical user interface. ICNNA incorporates reconstruction based on the modified Beer-Lambert law and basic processing and data validation capabilities. Emphasis is placed on the full experiment rather than individual neuroimages as the central element of analysis. The software offers three types of analyses including classical statistical methods based on comparison of changes in relative concentrations of hemoglobin between the task and baseline periods, graph theory-based metrics of connectivity and, distinctively, an analysis approach based on manifold embedding. This paper presents the different capabilities of ICNNA in its current version.

  12. Enhancing the Responsivity of Uncooled Infrared Detectors Using Plasmonics for High-Performance Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Amr Shebl Ahmed

    2017-04-01

    Full Text Available A lead zirconate titanate (PZT;Pb(Zr0.52Ti0.48O3 layer embedded infrared (IR detector decorated with wavelength-selective plasmonic crystals has been investigated for high-performance non-dispersive infrared (NDIR spectroscopy. A plasmonic IR detector with an enhanced IR absorption band has been designed based on numerical simulations, fabricated by conventional microfabrication techniques, and characterized with a broadly tunable quantum cascade laser. The enhanced responsivity of the plasmonic IR detector at specific wavelength band has improved the performance of NDIR spectroscopy and pushed the limit of detection (LOD by an order of magnitude. In this paper, a 13-fold enhancement in the LOD of a methane gas sensing using NDIR spectroscopy is demonstrated with the plasmonic IR detector.

  13. Practical guide to interpretive near-infrared spectroscopy

    CERN Document Server

    Workman, Jr, Jerry

    2007-01-01

    Containing focused, comprehensive coverage, Practical Guide to Interpretive Near-Infrared Spectroscopy gives you the tools necessary to interpret NIR spectra. The authors present extensive tables, charts, and figures with NIR absorption band assignments and structural information for a broad range of functional groups, organic compounds, and polymers. They include visual spectral representation of all major compound functional groupings and NIR frequency ranges. Organized by functional group type and chemical structure, based on standard compound classification, the chapters are easy to

  14. Core-shell particle composition by liquid phase infrared spectroscopy

    International Nuclear Information System (INIS)

    Ribeiro, Luiz F.B.; Machado, Ricardo A.F.; Goncalves, Odinei H.; Bona, Evandro

    2011-01-01

    Polymeric particles with core-shell morphology can offer advantages over conventional particles improving properties like mechanical and chemical resistance. However, particle composition must be known due to its influence on the final properties. In this work liquid phase infrared spectroscopy was used to determine the overall composition of core-shell particles composed by polystyrene (core) and poly(methyl methacrylate) (shell). Results were in agreement with those obtained with H 1 Nuclear Magnetic Resonance data (Goncalves et al, 2008). (author)

  15. Radiolysis of ferrocyanide solutions studied by infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Le Caer, S. [CEA/Saclay, DSM/DRECAM/SCM/URA 331 CNRS, F-91191Gif-sur-Yvette Cedex (France)]. E-mail: sophie.le-caer@cea.fr; Vigneron, G. [CEA/Saclay, DSM/DRECAM/SCM/URA 331 CNRS, F-91191Gif-sur-Yvette Cedex (France); Renault, J.P. [CEA/Saclay, DSM/DRECAM/SCM/URA 331 CNRS, F-91191Gif-sur-Yvette Cedex (France); Pommeret, S. [CEA/Saclay, DSM/DRECAM/SCM/URA 331 CNRS, F-91191Gif-sur-Yvette Cedex (France)

    2007-08-15

    The behavior of the neutral and basic aqueous ferrocyanide system under irradiation is investigated using the coupling of a LINAC with infrared spectroscopy. The comparison between the neutral and basic system evidences the formation of the hydroxopentacyanoferrate (III) ions and gives information on the reaction mechanisms. The pseudo-protective effect of the dissolved dioxygen on the ferrocyanide is explained via a mechanism implying the superoxide radical anion.

  16. Far-infrared ferroelectric soft mode spectroscopy on thin films

    Czech Academy of Sciences Publication Activity Database

    Petzelt, Jan; Ostapchuk, Tetyana

    2001-01-01

    Roč. 249, 1-2 (2001), s. 81-88 ISSN 0015-0193 R&D Projects: GA ČR GA202/98/1282; GA AV ČR IAA1010918; GA MŠk OC 514.10 Institutional research plan: CEZ:AV0Z1010914 Keywords : far-infrared spectroscopy * soft mode * dielectric spectra * permitivity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.471, year: 2001

  17. Burned bones forensic investigations employing near infrared spectroscopy

    OpenAIRE

    Cascant, Mari Merce; Rubio, Sonia; Gallello, Gianni; Pastor, Agustin; Garrigues, Salvador; De la Guardia, Miguel

    2017-01-01

    The use of near infrared (NIR) spectroscopy was evaluated, by using chemometric tools, for the study of the environmental impact on burned bones. Spectra of internal and external parts of burned bones, together with sediment samples, were treated by Principal Component Analysis and cluster classification as exploratory techniques to select burned bone samples, less affected by environmental processes, to properly carry out forensic studies. Partial Least Square Discriminant Analysis was used ...

  18. [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.

  19. Study on Fracture Healing with Small-Splint-Fixation Therapy by Near-Infrared Raman Spectroscopy

    OpenAIRE

    Hao Huang; Shangyuan Feng; Weiwei Chen; Yun Yu; Duo Lin; Rong Chen

    2013-01-01

    In this study, near-infrared (NIR) Raman spectroscopy was explored to assess the incorporation of calcium hydroxyapatite (CHA ~960 cm−1) and other biochemical substances during the recovery of rabbits with complete radial fractures treated with or without small splints. 24 rabbits were randomy divided into two groups, one treated with small-splint-fixation therapy and the other without any intervention. The rabbits were sacrificed at 7, 15, 23, and 30 days after surgery, and the surface layer...

  20. Infrared Spectroscopy of Noh Suspended in Solid Parahydrogen: Part Two

    Science.gov (United States)

    Balabanoff, Morgan E.; Mutunga, Fredrick M.; Anderson, David T.

    2015-06-01

    The only report in the literature on the infrared spectroscopy of the parent oxynitrene NOH was performed using Ar matrix isolation spectroscopy at 10 K. In this previous study, they performed detailed isotopic studies to make definitive vibrational assignments. NOH is predicted by high-level calculations to be in a triplet ground electronic state, but the Ar matrix isolation spectra cannot be used to verify this triplet assignment. In our 2013 preliminary report, we showed that 193 nm in situ photolysis of NO trapped in solid parahydrogen can also be used to prepare the NOH molecule. Over the ensuing two years we have been studying the infrared spectroscopy of this species in more detail. The spectra reveal that NOH can undergo hindered rotation in solid parahydrogen such that we can observe both a-type and b-type rovibrational transitions for the O-H stretch vibrational mode, but only a-type for the mode assigned to the bend. In addition, both observed a-type infrared absorption features (bend and OH stretch) display fine structure; an intense central peak with weaker peaks spaced symmetrically to both lower and higher wavenumbers. The spacing between the peaks is nearly identical for both vibrational modes. We now believe this fine structure is due to spin-rotation interactions and we will present a detailed analysis of this fine structure. Currently, we are performing additional experiments aimed at making 15NOH to test these preliminary assignments. The most recent data and up-to-date analysis will be presented in this talk. G. Maier, H. P. Reisenauer, M. De Marco, Angew. Chem. Int. Ed. 38, 108-110 (1999). U. Bozkaya, J. M. Turney, Y. Yamaguchi, and H. F. Schaefer III, J. Chem. Phys. 136, 164303 (2012). David T. Anderson and Mahmut Ruzi, 68th Ohio State University International Symposium on Molecular Spectroscopy, talk TE01 (2013).

  1. Immersion Gratings for Infrared High-resolution Spectroscopy

    Science.gov (United States)

    Sarugaku, Yuki; Ikeda, Yuji; Kobayashi, Naoto; Kaji, Sayumi; Sukegawa, Takashi; Sugiyama, Shigeru; Nakagawa, Takao; Arasaki, Takayuki; Kondo, Sohei; Nakanishi, Kenshi; Yasui, Chikako; Kawakita, Hideyo

    2016-10-01

    High-resolution spectroscopy in the infrared wavelength range is essential for observations of minor isotopologues, such as HDO for water, and prebiotic organic molecules like hydrocarbons/P-bearing molecules because numerous vibrational molecular bands (including non-polar molecules) are located in this wavelength range. High spectral resolution enables us to detect weak lines without spectral line confusion. This technique has been widely used in planetary sciences, e.g., cometary coma (H2O, CO, and organic molecules), the martian atmosphere (CH4, CO2, H2O and HDO), and the upper atmosphere of gas giants (H3+ and organic molecules such as C2H6). Spectrographs with higher resolution (and higher sensitivity) still have a potential to provide a plenty of findings. However, because the size of spectrographs scales with the spectral resolution, it is difficult to realize it.Immersion grating (IG), which is a diffraction grating wherein the diffraction surface is immersed in a material with a high refractive index (n > 2), provides n times higher spectral resolution compared to a reflective grating of the same size. Because IG reduces the size of spectrograph to 1/n compared to the spectrograph with the same spectral resolution using a conventional reflective grating, it is widely acknowledged as a key optical device to realize compact spectrographs with high spectral resolution.Recently, we succeeded in fabricating a CdZnTe immersion grating with the theoretically predicted diffraction efficiency by machining process using an ultrahigh-precision five-axis processing machine developed by Canon Inc. Using the same technique, we completed a practical germanium (Ge) immersion grating with both a reflection coating on the grating surface and the an AR coating on the entrance surface. It is noteworthy that the wide wavelength range from 2 to 20 um can be covered by the two immersion gratings.In this paper, we present the performances and the applications of the immersion

  2. Femtosecond laser irradiation-induced infrared absorption on silicon surfaces

    Directory of Open Access Journals (Sweden)

    Qinghua Zhu

    2015-04-01

    Full Text Available The near-infrared (NIR absorption below band gap energy of crystalline silicon is significantly increased after the silicon is irradiated with femtosecond laser pulses at a simple experimental condition. The absorption increase in the NIR range primarily depends on the femtosecond laser pulse energy, pulse number, and pulse duration. The Raman spectroscopy analysis shows that after the laser irradiation, the silicon surface consists of silicon nanostructure and amorphous silicon. The femtosecond laser irradiation leads to the formation of a composite of nanocrystalline, amorphous, and the crystal silicon substrate surface with microstructures. The composite has an optical absorption enhancement at visible wavelengths as well as at NIR wavelength. The composite may be useful for an NIR detector, for example, for gas sensing because of its large surface area.

  3. Can infrared spectroscopy provide information on protein-protein interactions?

    Science.gov (United States)

    Haris, Parvez I

    2010-08-01

    For most biophysical techniques, characterization of protein-protein interactions is challenging; this is especially true with methods that rely on a physical phenomenon that is common to both of the interacting proteins. Thus, for example, in IR spectroscopy, the carbonyl vibration (1600-1700 cm(-1)) associated with the amide bonds from both of the interacting proteins will overlap extensively, making the interpretation of spectral changes very complicated. Isotope-edited infrared spectroscopy, where one of the interacting proteins is uniformly labelled with (13)C or (13)C,(15)N has been introduced as a solution to this problem, enabling the study of protein-protein interactions using IR spectroscopy. The large shift of the amide I band (approx. 45 cm(-1) towards lower frequency) upon (13)C labelling of one of the proteins reveals the amide I band of the unlabelled protein, enabling it to be used as a probe for monitoring conformational changes. With site-specific isotopic labelling, structural resolution at the level of individual amino acid residues can be achieved. Furthermore, the ability to record IR spectra of proteins in diverse environments means that isotope-edited IR spectroscopy can be used to structurally characterize difficult systems such as protein-protein complexes bound to membranes or large insoluble peptide/protein aggregates. In the present article, examples of application of isotope-edited IR spectroscopy for studying protein-protein interactions are provided.

  4. Mid-Infrared Frequency-Agile Dual-Comb Spectroscopy

    Science.gov (United States)

    Luo, Pei-Ling; Yan, Ming; Iwakuni, Kana; Millot, Guy; Hänsch, Theodor W.; Picqué, Nathalie

    2016-06-01

    We demonstrate a new approach to mid-infrared dual-comb spectroscopy. It opens up new opportunities for accurate real-time spectroscopic diagnostics and it significantly simplifies the technique of dual-comb spectroscopy. Two mid-infrared frequency combs of slightly different repetition frequencies and moderate, but rapidly tunable, spectral span are generated in the 2800-3200 cm-1 region. The generators rely on electro-optic modulators, nonlinear fibers for spectral broadening and difference frequency generation and do not involve mode-locked lasers. Flat-top frequency combs span up to 10 cm-1 with a comb line spacing of 100 MHz (3×10-3 cm-1). The performance of the spectrometer without any phase-lock electronics or correction scheme is illustrated with spectra showing resolved comb lines and Doppler-limited spectra of methane. High precision on the spectroscopic parameter (line positions and intensities) determination is demonstrated for spectra measured on a millisecond time scale and it is validated with comparison with literature data. G. Millot, S. Pitois, M. Yan, T. Hovannysyan, A. Bendahmane, T.W. Hänsch, N. Picqué, Frequency-agile dual-comb spectroscopy, Nature Photonics 10, 27-30 (2016).

  5. Photoacoustic-based detector for infrared laser spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Scholz, L.; Palzer, S., E-mail: stefan.palzer@imtek.uni-freiburg.de [Department of Microsystems Engineering-IMTEK, Laboratory for Gas Sensors, University of Freiburg, Georges-Köhler-Allee 102, Freiburg 79110 (Germany)

    2016-07-25

    In this contribution, we present an alternative detector technology for use in direct absorption spectroscopy setups. Instead of a semiconductor based detector, we use the photoacoustic effect to gauge the light intensity. To this end, the target gas species is hermetically sealed under excess pressure inside a miniature cell along with a MEMS microphone. Optical access to the cell is provided by a quartz window. The approach is particularly suitable for tunable diode laser spectroscopy in the mid-infrared range, where numerous molecules exhibit large absorption cross sections. Moreover, a frequency standard is integrated into the method since the number density and pressure inside the cell are constant. We demonstrate that the information extracted by our method is at least equivalent to that achieved using a semiconductor-based photon detector. As exemplary and highly relevant target gas, we have performed direct spectroscopy of methane at the R3-line of the 2v{sub 3} band at 6046.95 cm{sup −1} using both detector technologies in parallel. The results may be transferred to other infrared-active transitions without loss of generality.

  6. Vibrational Spectroscopy of Intramolecular Hydrogen Bonds in the Infrared and Near-Infrared Regions

    DEFF Research Database (Denmark)

    Schrøder, Sidsel Dahl

    and 1,4-diaminobutane). Experimentally, the hydrogen bonds have been studied with vibrational spectroscopy in the infrared and near-infrared regions. The focus is primarily on spectra recorded in the near-infrared regions, which in these studies are dominated by O-H and N-H stretching overtones....... Overtone spectra have been recorded with intracavity laser photoacoustic laser spectroscopy and conventional long path absorption spectroscopy. Theoretically, a combination of electronic structure calculations and local mode models have been employed to guide the assignment of bands in the vibrational......,4-diaminobutane, no sign of intramolecular N-H···N hydrogen bonds were identified in the overtone spectra. However, theoretical analyzes indicate that intramolecular N-H···N hydrogen bonds are present in all three diamines if two hydrogen atoms on one of the methylene groups are substituted with triuoromethyl...

  7. [Application of near-infrared spectroscopy in golf turfgrass management].

    Science.gov (United States)

    Li, Shu-Ying; Han, Jian-Guo

    2008-07-01

    The management of golf course is different from other turfs. Its particularity lies in its higher and more precise requirement during maintenance compare with other turfs. In case something happened to turf of golf course, more effective and higher speed detecting and resolution are required. Only the data about turf growth and environment were mastered precisely in time, the friendly environmental and scientific management goal could be completed effectively and economically. The near infrared spectroscopy is a new kind of effective, convenient and non-destructive analytical method in the turfgrass management of golf course in recent years. Many factors of turf-soil system in golf course could be determined by near infrared spectroscopy at the same time. In this paper, the existing literature that use of near infrared spectroscopy to study turfgrass and soil nutrient content, soil hygroscopic moisture, feasible fertilizer application time and rate, to fix the time and volume of irrigation, turfgrass visual quality evaluation, turfgrass disease prediction and prevention were reviewed. Most researchers considered the nutrition condition of turf impacted the visual and playing quality of golf course directly and then indirectly influenced most of assistant cultivation such as fertilization, mowing and irrigation and so on. The using of NIRS can detect the nutrient content of turfgrass effectively and estimate the nutrient is excessive or deficient quickly. And then the feasible time and rate of fertilizers can be decided. Comparing with the common judgment ways based on the season fertilization and visual estimation, the using of NIRS can reduce the application of fertilizers on the base of keeping the same turf quality simultaneously. NIRS can analysis many items of soil such as moisture, elements concentration, textures on the spot by the thousands. This method can get lots of cover-all data non-destructively. What's more, NIRS can analysis soil betimes quickly

  8. Functional Near Infrared Spectroscopy: Enabling Routine Functional Brain Imaging.

    Science.gov (United States)

    Yücel, Meryem A; Selb, Juliette J; Huppert, Theodore J; Franceschini, Maria Angela; Boas, David A

    2017-12-01

    Functional Near-Infrared Spectroscopy (fNIRS) maps human brain function by measuring and imaging local changes in hemoglobin concentrations in the brain that arise from the modulation of cerebral blood flow and oxygen metabolism by neural activity. Since its advent over 20 years ago, researchers have exploited and continuously advanced the ability of near infrared light to penetrate through the scalp and skull in order to non-invasively monitor changes in cerebral hemoglobin concentrations that reflect brain activity. We review recent advances in signal processing and hardware that significantly improve the capabilities of fNIRS by reducing the impact of confounding signals to improve statistical robustness of the brain signals and by enhancing the density, spatial coverage, and wearability of measuring devices respectively. We then summarize the application areas that are experiencing rapid growth as fNIRS begins to enable routine functional brain imaging.

  9. Neuroimaging with functional near infrared spectroscopy: From formation to interpretation

    Science.gov (United States)

    Herrera-Vega, Javier; Treviño-Palacios, Carlos G.; Orihuela-Espina, Felipe

    2017-09-01

    Functional Near Infrared Spectroscopy (fNIRS) is gaining momentum as a functional neuroimaging modality to investigate the cerebral hemodynamics subsequent to neural metabolism. As other neuroimaging modalities, it is neuroscience's tool to understand brain systems functions at behaviour and cognitive levels. To extract useful knowledge from functional neuroimages it is critical to understand the series of transformations applied during the process of the information retrieval and how they bound the interpretation. This process starts with the irradiation of the head tissues with infrared light to obtain the raw neuroimage and proceeds with computational and statistical analysis revealing hidden associations between pixels intensities and neural activity encoded to end up with the explanation of some particular aspect regarding brain function.To comprehend the overall process involved in fNIRS there is extensive literature addressing each individual step separately. This paper overviews the complete transformation sequence through image formation, reconstruction and analysis to provide an insight of the final functional interpretation.

  10. Development of infrared spectroscopy techniques for environmental monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Sandsten, Jonas

    2000-08-01

    Infrared spectroscopy techniques have long been utilized in identifying and quantifying species of interest to us. Many of the elementary molecules in the atmosphere interact with infrared radiation through their ability to absorb and emit energy in vibrational and rotational transitions. A large variety of methods for monitoring of molecules and aerosol particles by collecting samples or by using remote sensing methods are available. The objective of the work presented in this thesis was to develop infrared spectroscopic techniques to further enhance the amount of useful information obtained from gathering spectral data. A new method for visualization and quantification of gas flows based on gas-correlation techniques was developed. Real-time imaging of gas leaks and incomplete or erratic flare combustion of ethene was demonstrated. The method relies on the thermal background as a radiation source and the gas can be visualized in absorption or in emission depending on the temperature difference. Diode laser spectroscopy was utilized to monitor three molecular species at the same time and over the same path. Two near-infrared diode lasers beams were combined in a periodically poled lithium niobate crystal and by difference-frequency generation a third beam was created, enabling simultaneous monitoring of oxygen, water vapor and methane. Models of aerosol particle cross sections were used to simulate the diffraction pattern of light scattered by fibers, spherical particles and real particles, such as pollen, through a new aerosol particle sensing prototype. The instrument, using a coupled cavity diode laser, has been designed with a ray-tracing program and the final prototype was employed for single aerosol particle sizing and identification.

  11. Near-infrared spectroscopy. Innovative technology summary report

    International Nuclear Information System (INIS)

    1999-07-01

    A near-infrared (NIR) spectroscopy system with a remote fiber-optic probe was developed and demonstrated to measure the water content of high-level radioactive wastes from the underground storage tanks at the Hanford Site in richland Washington. The technology was developed as a cost-effective and safer alternative to the thermogravimetric analysis (TGA) technique in use as the baseline. This work was supported by the Tanks Focus Area (TFA) within the Department of Energy's (DOE) Office of Science and Technology (OST) in cooperation with the Hanford Tank Waste Remediation System (TWRS) Program

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

    CERN Document Server

    Perkowitz, Sidney

    1993-01-01

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

  13. Exploring process dynamics by near infrared spectroscopy in lactic fermentations

    DEFF Research Database (Denmark)

    Svendsen, Carina; Cieplak, Tomasz; van der Berg, Franciscus Winfried J

    2016-01-01

    In the industrial production of yoghurt, measurement of pH is normally the only in-line technique applied as a real-time monitoring signalfor following the dynamics during the fermentation process. However, every dairy company would benefit from an in-line technique giving information about...... the chemical composition, physical/textural properties and/or microbial contamination. In this study lactic fermentation batches with the starter bacteria Streptococcus thermophilus and Lactobacillus delbrueckii subsp. bulgaricus are explored by in-line near infrared (NIR) spectroscopy. The dynamics obtained...

  14. Predicting rapeseed oil content with near-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Roberta Rossato

    2013-12-01

    Full Text Available The objective of this work was to establish a calibration equation and to estimate the efficiency of near-infrared reflectance (NIR spectroscopy for evaluating rapeseed oil content in Southern Brazil. Spectral data from 124 half-sib families were correlated with oil contents determined by the chemical method. The accuracy of the equation was verified by coefficient of determination (R² of 0.92, error of calibration (SEC of 0.78, and error of performance (SEP of 1.22. The oil content of ten genotypes, which were not included in the calibration with NIR, was similar to the one obtained by the standard chemical method. NIR spectroscopy is adequate to differentiate oil content of rapeseed genotypes.

  15. Gum Arabic authentication and mixture quantification by near infrared spectroscopy

    DEFF Research Database (Denmark)

    Dong, Yongjiang; Sørensen, Klavs Martin; He, Sailing

    2017-01-01

    A rapid and reliable method is developed for Gum Arabic authentication based on Near Infrared (NIR) spectroscopy and chemometric methods. On a large industrial collection of authentic gum Arabics, the two major Acacia gum species, Acacia senegal and Acacia seyal could be assigned perfectly...... by the NIR spectroscopic method. In addition, a partial least squares (PLS) regression model is calibrated to predict the blending percentage of the two pure gum types, producing an accuracy, root mean square error of cross validation (RMSECV) of 2.8%. Sampling of the Gum Arabic ‘tears’ is discussed......, and it was determined that subsamples from three ‘tears’ is required for a representative result. It is concluded that NIR spectroscopy is a very powerful and reliable method for authenticity testing of Gum Arabic species....

  16. Usefulness of portable near infrared spectroscopy in olive breeding programs

    Energy Technology Data Exchange (ETDEWEB)

    Leon-Moreno, L.

    2012-11-01

    The usefulness of portable near infrared (NIR) spectroscopy as a simple and efficient method to determine some of the main selection traits in olive breeding is evaluated in this work. Calibration models were developed and evaluated using partial least squares (PLS) regression from samples collected in different selection steps of the breeding work and under different experimental conditions. The results showed that accurate enough models (values of correlation between actual and predicted constituent higher than 0.9) were obtained for oil and moisture content in both cross validation and prediction results. Portable NIR spectroscopy could be used for selection of genotypes on the basis of these characters, providing similar ranking of genotypes than reference methods both in different selection steps of the breeding process (progenies and selection plots) and different experimental conditions (on-tree or under laboratory conditions). The advantages of this technique to improve the efficiency of the evaluation process in olive breeding programs are discussed. (Author) 21 refs.

  17. Near infrared spectroscopy in the development of solid dosage forms.

    Science.gov (United States)

    Räsänen, Eetu; Sandler, Niklas

    2007-02-01

    The use of near infrared (NIR) spectroscopy has rapidly grown partly due to demands of process analytical applications in the pharmaceutical industry. Furthermore, newest regulatory guidelines have advanced the increase of the use of NIR technologies. The non-destructive and non-invasive nature of measurements makes NIR a powerful tool in characterization of pharmaceutical solids. These benefits among others often make NIR advantageous over traditional analytical methods. However, in addition to NIR, a wide variety of other tools are naturally also available for analysis in pharmaceutical development and manufacturing, and those can often be more suitable for a given application. The versatility and rapidness of NIR will ensure its contribution to increased process understanding, better process control and improved quality of drug products. This review concentrates on the use of NIR spectroscopy from a process research perspective and highlights recent applications in the field.

  18. Two-dimensional infrared spectroscopy of vibrational polaritons.

    Science.gov (United States)

    Xiang, Bo; Ribeiro, Raphael F; Dunkelberger, Adam D; Wang, Jiaxi; Li, Yingmin; Simpkins, Blake S; Owrutsky, Jeffrey C; Yuen-Zhou, Joel; Xiong, Wei

    2018-04-19

    We report experimental 2D infrared (2D IR) spectra of coherent light-matter excitations--molecular vibrational polaritons. The application of advanced 2D IR spectroscopy to vibrational polaritons challenges and advances our understanding in both fields. First, the 2D IR spectra of polaritons differ drastically from free uncoupled excitations and a new interpretation is needed. Second, 2D IR uniquely resolves excitation of hybrid light-matter polaritons and unexpected dark states in a state-selective manner, revealing otherwise hidden interactions between them. Moreover, 2D IR signals highlight the impact of molecular anharmonicities which are applicable to virtually all molecular systems. A quantum-mechanical model is developed which incorporates both nuclear and electrical anharmonicities and provides the basis for interpreting this class of 2D IR spectra. This work lays the foundation for investigating phenomena of nonlinear photonics and chemistry of molecular vibrational polaritons which cannot be probed with traditional linear spectroscopy.

  19. Species authentication and geographical origin discrimination of herbal medicines by near infrared spectroscopy: A review

    OpenAIRE

    Wang, Pei; Yu, Zhiguo

    2015-01-01

    Near infrared (NIR) spectroscopy as a rapid and nondestructive analytical technique, integrated with chemometrics, is a powerful process analytical tool for the pharmaceutical industry and is becoming an attractive complementary technique for herbal medicine analysis. This review mainly focuses on the recent applications of NIR spectroscopy in species authentication of herbal medicines and their geographical origin discrimination. Keywords: Near infrared spectroscopy, Herbal medicine, Species...

  20. Near-infrared laboratory spectroscopy of mineral chemistry: A review

    Science.gov (United States)

    Meer, Freek van der

    2018-03-01

    Spectroscopy is the science concerned with the investigation and measurement of spectra produced when materials interacts with or emits electromagnetic radiation. Commercial infrared spectrometer were designed from the 1950's onward and found their way into the pharmaceutical and chemical industries. In the 1970's and 1980's also natural sciences notably mineralogy and vegetation science started systematically to measure optical properties of leaves and minerals/rocks with spectrometers. In the last decade spectroscopy has made the step from qualitative observations of mineral classes, soil type and vegetation biomass to quantitative estimates of mineral, soil and vegetation chemistry. This resulted in geothermometers used to characterize metamorphic and hydrothermal systems and to the advent of foliar biochemistry. More research is still needed to bridge the gap between laboratory spectroscopy and field spectroscopy. Empirical studies of minerals either as soil or rock constituents (and vegetation parameters) derived from regression analysis of spectra against chemistry is important in understanding the physics of the interaction of electromagnetic radiation and matter which in turn is important in the design of future satellite missions. Physics based models and retrievals are needed to operationalize these relationships and implement them in future earth observation missions as these are more robust and easy to transfer to other areas and data sets.

  1. Surface modification of UHMWPE with infrared femtosecond laser

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Pradas, J.M., E-mail: jmfernandez@ub.edu [Departament de Fisica Aplicada i Optica, Universitat de Barcelona Marti i Franques 1, E-08028 Barcelona (Spain); Naranjo-Leon, S.; Morenza, J.L.; Serra, P. [Departament de Fisica Aplicada i Optica, Universitat de Barcelona Marti i Franques 1, E-08028 Barcelona (Spain)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer Ultra High Molecular Weight Polyethylene surface was modified with femtosecond laser pulses at 1027 nm wavelength. Black-Right-Pointing-Pointer Surface roughness is increased. Black-Right-Pointing-Pointer Ablation efficiency is maximum for 6 {mu}J pulses. Black-Right-Pointing-Pointer Irradiated surfaces remain almost chemically unaltered. - Abstract: Ultra-high-molecular-weight polyethylene (UHMWPE) is a polymer with mechanical and corrosion properties, which make it appropriate for using in biomedical devices such as hip and knee prostheses. The surface morphology and chemistry of UHMWPE influence its biocompatibility. A laser with wavelength at 1027 nm delivering 450 fs pulses at a repetition rate of 1 kHz is used to modify the surface of UHMWPE samples with 0.45 {mu}m root mean square surface roughness. Micrometric resolution is achieved with the use of a focusing lens of 0.25 NA and pulse energies of few microjoules. The study focuses in the influence of different pulse energies and pulse overlaps on the laser-induced surface roughness and ablation yield. Confocal microscopy is used to characterize changes in the morphology of the irradiated surfaces, and their chemical structure is analyzed by attenuated total reflectance infrared and Raman spectroscopies. The roughness increases as the pulse energy increases until it reaches a maximum. The ablation yield increases with the pulse energy and pulse overlap. However, the ablation yield per pulse is lower for higher pulse overlap. Pulses of 6 {mu}J have the highest ablation efficiency. Infrared and Raman spectra of samples irradiated with low energy pulses are similar to those of the pristine sample. However, some C=C and C=O bonds can be detected after irradiation with the highest pulse energies.

  2. Ultrafast surface-enhanced Raman spectroscopy.

    Science.gov (United States)

    Keller, Emily L; Brandt, Nathaniel C; Cassabaum, Alyssa A; Frontiera, Renee R

    2015-08-07

    Ultrafast surface-enhanced Raman spectroscopy (SERS) with pico- and femtosecond time resolution has the ability to elucidate the mechanisms by which plasmons mediate chemical reactions. Here we review three important technological advances in these new methodologies, and discuss their prospects for applications in areas including plasmon-induced chemistry and sensing at very low limits of detection. Surface enhancement, arising from plasmonic materials, has been successfully incorporated with stimulated Raman techniques such as femtosecond stimulated Raman spectroscopy (FSRS) and coherent anti-Stokes Raman spectroscopy (CARS). These techniques are capable of time-resolved measurement on the femtosecond and picosecond time scale and can be used to follow the dynamics of molecules reacting near plasmonic surfaces. We discuss the potential application of ultrafast SERS techniques to probe plasmon-mediated processes, such as H2 dissociation and solar steam production. Additionally, we discuss the possibilities for high sensitivity SERS sensing using these stimulated Raman spectroscopies.

  3. Differentiation and quality estimation of Cordyceps with infrared spectroscopy

    Science.gov (United States)

    Yang, Ping; Song, Ping; Sun, Su-Qin; Zhou, Qun; Feng, Shu; Tao, Jia-Xun

    2009-11-01

    Heretofore, a scientific and systemic method for differentiation and quality estimation of a well-known Chinese traditional medicine, 'Cordyceps', has not been established in modern market. In this paper, Fourier-transform infrared spectroscopy (FTIR) and two-dimensional correlation infrared spectroscopy (2D-IR) are employed to propose a method for analysis of Cordyceps. It has presented that IR spectra of real Cordyceps of different origins and counterfeits have their own macroscopic fingerprints, with discriminated shapes, positions and intensities. Their secondary derivative spectra can amplify the differences and confirm the potentially characteristic IR absorption bands 1400-1700 cm -1 to be investigated in 2D-IR. Many characteristic fingerprints are discovered in 2D-IR spectra in the range of 1400-1700 cm -1 and hetero 2D spectra of 670-780 cm -1 × 1400-1700 cm -1. The different fingerprints display different chemical constitutes. Through the three steps, different Cordyceps and their counterfeits can be discriminated effectively and their qualities distinctly display. Successful analysis of eight Cordyceps capsule products has proved the practicability of the method, which can also be applied to the quality estimation of other Chinese traditional medicines.

  4. Characterizing aeroallergens by infrared spectroscopy of fungal spores and pollen.

    Directory of Open Access Journals (Sweden)

    Boris Zimmermann

    Full Text Available Fungal spores and plant pollen cause respiratory diseases in susceptible individuals, such as asthma, allergic rhinitis and hypersensitivity pneumonitis. Aeroallergen monitoring networks are an important part of treatment strategies, but unfortunately traditional analysis is time consuming and expensive. We have explored the use of infrared spectroscopy of pollen and spores for an inexpensive and rapid characterization of aeroallergens.The study is based on measurement of spore and pollen samples by single reflectance attenuated total reflectance Fourier transform infrared spectroscopy (SR-ATR FTIR. The experimental set includes 71 spore (Basidiomycota and 121 pollen (Pinales, Fagales and Poales samples. Along with fresh basidiospores, the study has been conducted on the archived samples collected within the last 50 years.The spectroscopic-based methodology enables clear spectral differentiation between pollen and spores, as well as the separation of confamiliar and congeneric species. In addition, the analysis of the scattering signals inherent in the infrared spectra indicates that the FTIR methodology offers indirect estimation of morphology of pollen and spores. The analysis of fresh and archived spores shows that chemical composition of spores is well preserved even after decades of storage, including the characteristic taxonomy-related signals. Therefore, biochemical analysis of fungal spores by FTIR could provide economical, reliable and timely methodologies for improving fungal taxonomy, as well as for fungal identification and monitoring. This proof of principle study shows the potential for using FTIR as a rapid tool in aeroallergen studies. In addition, the presented method is ready to be immediately implemented in biological and ecological studies for direct measurement of pollen and spores from flowers and sporocarps.

  5. Fringes in FTIR spectroscopy revisited: understanding and modelling fringes in infrared spectroscopy of thin films.

    Science.gov (United States)

    Konevskikh, Tatiana; Ponossov, Arkadi; Blümel, Reinhold; Lukacs, Rozalia; Kohler, Achim

    2015-06-21

    The appearance of fringes in the infrared spectroscopy of thin films seriously hinders the interpretation of chemical bands because fringes change the relative peak heights of chemical spectral bands. Thus, for the correct interpretation of chemical absorption bands, physical properties need to be separated from chemical characteristics. In the paper at hand we revisit the theory of the scattering of infrared radiation at thin absorbing films. Although, in general, scattering and absorption are connected by a complex refractive index, we show that for the scattering of infrared radiation at thin biological films, fringes and chemical absorbance can in good approximation be treated as additive. We further introduce a model-based pre-processing technique for separating fringes from chemical absorbance by extended multiplicative signal correction (EMSC). The technique is validated by simulated and experimental FTIR spectra. It is further shown that EMSC, as opposed to other suggested filtering methods for the removal of fringes, does not remove information related to chemical absorption.

  6. Practical guide to surface science and spectroscopy

    CERN Document Server

    Chung, Yip-Wah

    2001-01-01

    Practical Guide to Surface Science and Spectroscopy provides a practical introduction to surface science as well as describes the basic analytical techniques that researchers use to understand what occurs at the surfaces of materials and at their interfaces. These techniques include auger electron spectroscopy, photoelectron spectroscopy, inelastic scattering of electrons and ions, low energy electron diffraction, scanning probe microscopy, and interfacial segregation. Understanding the behavior of materials at their surfaces is essential for materials scientists and engineers as they design and fabricate microelectronics and semiconductor devices. The book gives over 100 examples, discussion questions and problems with varying levels of difficulty. Included with this book is a CD-ROM, which not only contains the same information, but also provides many elements of animation and interaction that are not easily emulated on paper. In diverse subject matters ranging from the operation of ion pumps, computer-...

  7. Influence of cation size and surface coverage upon the infrared spectrum of carbon monoxide

    OpenAIRE

    Huang, Jimin

    1991-01-01

    Adsorbed carbon monoxide is utilized as a double layer probe molecule because of its strong absorption in infrared region and because of the high sensitivity of the carbon-oxygen bond to changes in the environment local to the electrode surface. Potential Difference Infrared Spectroscopy was used to investigate the structural behavior of CO adsorbed on a platinum electrode. Carbon monoxide was found to be exclusively linear-bonded on platinum electrode in the presence of tetran...

  8. Auger electron spectroscopy of alloy surfaces

    International Nuclear Information System (INIS)

    Overbury, S.H.; Somorjai, G.A.

    1975-03-01

    Regular solution models are used to predict surface segregation of the constituent of lowest surface free energy in homogeneous multicomponent systems. Analysis of the Auger electron emission intensities from alloys yield the surface composition and the depth distribution of the composition near the surface. Auger Electron Spectroscopy (AES) studies of the surface composition of the Ag--Au and Pb--In systems have been carried out as a function of bulk composition and temperature. Although these alloys have very different regular solution parameters their surface compositions are predictable by the regular solution models. (U.S.)

  9. Electrochemical and Infrared Absorption Spectroscopy Detection of SF₆ Decomposition Products.

    Science.gov (United States)

    Dong, Ming; Zhang, Chongxing; Ren, Ming; Albarracín, Ricardo; Ye, Rixin

    2017-11-15

    Sulfur hexafluoride (SF₆) gas-insulated electrical equipment is widely used in high-voltage (HV) and extra-high-voltage (EHV) power systems. Partial discharge (PD) and local heating can occur in the electrical equipment because of insulation faults, which results in SF₆ decomposition and ultimately generates several types of decomposition products. These SF₆ decomposition products can be qualitatively and quantitatively detected with relevant detection methods, and such detection contributes to diagnosing the internal faults and evaluating the security risks of the equipment. At present, multiple detection methods exist for analyzing the SF₆ decomposition products, and electrochemical sensing (ES) and infrared (IR) spectroscopy are well suited for application in online detection. In this study, the combination of ES with IR spectroscopy is used to detect SF₆ gas decomposition. First, the characteristics of these two detection methods are studied, and the data analysis matrix is established. Then, a qualitative and quantitative analysis ES-IR model is established by adopting a two-step approach. A SF₆ decomposition detector is designed and manufactured by combining an electrochemical sensor and IR spectroscopy technology. The detector is used to detect SF₆ gas decomposition and is verified to reliably and accurately detect the gas components and concentrations.

  10. Assessment of hyaline cartilage matrix composition using near infrared spectroscopy.

    Science.gov (United States)

    Palukuru, Uday P; McGoverin, Cushla M; Pleshko, Nancy

    2014-09-01

    Changes in the composition of the extracellular matrix (ECM) are characteristic of injury or disease in cartilage tissue. Various imaging modalities and biochemical techniques have been used to assess the changes in cartilage tissue but lack adequate sensitivity, or in the case of biochemical techniques, result in destruction of the sample. Fourier transform near infrared (FT-NIR) spectroscopy has shown promise for the study of cartilage composition. In the current study NIR spectroscopy was used to identify the contributions of individual components of cartilage in the NIR spectra by assessment of the major cartilage components, collagen and chondroitin sulfate, in pure component mixtures. The NIR spectra were obtained using homogenous pellets made by dilution with potassium bromide. A partial least squares (PLS) model was calculated to predict composition in bovine cartilage samples. Characteristic absorbance peaks between 4000 and 5000 cm(-1) could be attributed to components of cartilage, i.e. collagen and chondroitin sulfate. Prediction of the amount of collagen and chondroitin sulfate in tissues was possible within 8% (w/dw) of values obtained by gold standard biochemical assessment. These results support the use of NIR spectroscopy for in vitro and in vivo applications to assess matrix composition of cartilage tissues, especially when tissue destruction should be avoided. Copyright © 2014. Published by Elsevier B.V.

  11. Investigation of Filtration Membranes from the Dairy Protein Industry for Residual Fouling Using Infrared Spectroscopy and Chemometrics

    DEFF Research Database (Denmark)

    Jensen, Jannie Krog

    the reversible fouling can be removed/cleaned. The aim of this thesis is to investigate the residual fouling that is deposited on ultrafiltration and microfiltration membranes after usage. The membrane surfaces are investigated using infrared spectroscopy with an attenuated reflectance sampling unit...... and this is thesis work highlights the strengths and weaknesses of using infrared spectroscopy to investigate residual fouling on membranes and in particular the challenges with the infrared penetration depth when layering in the samples occurs. Real size production membrane cartridges at different stages of use...... microfiltration membrane cartridges were investigated with Attenuated- Total-Reflection Fourier-Transform-Infrared (ATR FT-IR) to map the residual fouling on both types of cartridges. The height of the characteristic amide peaks from proteins were used to determine the relative concentrations. The first...

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

    DEFF Research Database (Denmark)

    Schytz, Henrik Winther

    2015-01-01

    The purpose of this thesis was to explore and develop methods, where continuous wave near infrared spectroscopy (CW-NIRS) can be applied in different neurovascular diseases, in order to find biological markers that are useful in clinical neurology. To develop a new method to detect changes...... tomography (133Xe-SPECT) and the corrected BFI value. It was concluded, that it was not possible to obtain reliable BFI data with the ICG CW-NIRS method. NIRS measurements of low frequency oscillations (LFOs) may be a reliable method to investigate vascular alterations in neurovascular diseases......, but this requires an acceptable LFOs variation between hemispheres and over time in the healthy brain. The second study therefore investigated day-to-day and hemispheric variations in LFOs with NIRS. It was shown that NIRS might be useful in assessing LFOs between hemispheres, as well as interhemispheric phase...

  13. Near-infrared spectroscopy (NIRS) in a piglet model

    DEFF Research Database (Denmark)

    Clausen, Nicola Groes; Spielmann, Nelly; Ringer, Simone K.

    2017-01-01

    Near-infrared spectroscopy (NIRS) in a piglet model: readings are influenced by the colour of the cover Clausen NG1,2, Spielmann N1,3, Weiss M1,3, Ringer SK4 1Children’s Research Center, University Children’s Hospital of Zurich, Switzerland; 2Department of Anaesthesiology and Intensive Care, Odense....... The rSO2 was measured by placing NIRS sensors in the supra glabellar region. In 12 animals sensors were covered with a uni-coloured pink (P) napkin and a turquoise (T) napkin in a random order (Setting A). In further 13 animals sensors were covered with blue-coloured surgical drape (SD) and a napkin...... with a reddish SantaClaus (SC) motive (Setting B). Uncovered (UC) baseline values were captured and measurements obtained for a period of three minutes. During measurements, the animals were kept in normoterm, normotensive, normoglycaemic and normoxic condition. Inspired oxygen fraction and ventilatory settings...

  14. Measuring protein dynamics with ultrafast two-dimensional infrared spectroscopy

    International Nuclear Information System (INIS)

    Adamczyk, Katrin; Candelaresi, Marco; Hunt, Neil T; Robb, Kirsty; Hoskisson, Paul A; Tucker, Nicholas P; Gumiero, Andrea; Walsh, Martin A; Parker, Anthony W

    2012-01-01

    Recent advances in the methodology and application of ultrafast two-dimensional infrared (2D-IR) spectroscopy to biomolecular systems are reviewed. A description of the 2D-IR technique and the molecular contributions to the observed spectra are presented followed by a discussion of recent literature relating to the use of 2D-IR and associated approaches for measuring protein dynamics. In particular, these include the use of diatomic ligand groups for measuring haem protein dynamics, isotopic labelling strategies and the use of vibrational probe groups. The final section reports on the current state of the art regarding the use of 2D-IR methods to provide insights into biological reaction mechanisms. (topical review)

  15. Demonstration of a Fast, Precise Propane Measurement Using Infrared Spectroscopy

    Science.gov (United States)

    Zahniser, M. S.; Roscioli, J. R.; Nelson, D. D.; Herndon, S. C.

    2016-12-01

    Propane is one of the primary components of emissions from natural gas extraction and processing activities. In addition to being an air pollutant, its ratio to other hydrocarbons such as methane and ethane can serve as a "fingerprint" of a particular facility or process, aiding in identifying emission sources. Quantifying propane has typically required laboratory analysis of flask samples, resulting in low temporal resolution and making plume-based measurements infeasible. Here we demonstrate fast (1-second), high precision (infrared spectroscopy at 2967 wavenumbers. In addition, we explore the impact of nearby water and ethane absorption lines on the accuracy and precision of the propane measurement. Finally, we discuss development of a dual-laser instrument capable of simultaneous measurements of methane, ethane, and propane (the C1-C3 compounds), all within a small spatial package that can be easily deployed aboard a mobile platform.

  16. Mid-infrared spectroscopy for characterization of Baltic amber (succinite)

    Science.gov (United States)

    Wagner-Wysiecka, Ewa

    2018-05-01

    Natural Baltic amber (succinite) is the most appreciated fossil resin of the rich cultural traditions dating back to prehistoric times. Its unequivocal identification is extremely important in many branches of science and trades including archeology, paleontology, chemistry and finally mineralogical and gemological societies. Current methods of modification of natural succinite are more and more sophisticated making the identification of natural Baltic amber often challenging. In article the systematic analytical approach for identification of natural and modified under different conditions succinite, using mid-infrared spectroscopy (transmission, Drifts and ATR techniques) is presented. The correlation between spectral characteristics and properties of succinite is discussed pointing that the understanding of the nature of changes is the key of identification of this precious material.

  17. A rheumatoid arthritis study by Fourier transform infrared spectroscopy

    Science.gov (United States)

    Carvalho, Carolina S.; Silva, Ana Carla A.; Santos, Tatiano J. P. S.; Martin, Airton A.; dos Santos Fernandes, Ana Célia; Andrade, Luís E.; Raniero, Leandro

    2012-01-01

    Rheumatoid arthritis is a systemic inflammatory disease of unknown causes and a new methods to identify it in early stages are needed. The main purpose of this work is the biochemical differentiation of sera between normal and RA patients, through the establishment of a statistical method that can be appropriately used for serological analysis. The human sera from 39 healthy donors and 39 rheumatics donors were collected and analyzed by Fourier Transform Infrared Spectroscopy. The results show significant spectral variations with p<0.05 in regions corresponding to protein, lipids and immunoglobulins. The technique of latex particles, coated with human IgG and monoclonal anti-CRP by indirect agglutination known as FR and CRP, was performed to confirm possible false-negative results within the groups, facilitating the statistical interpretation and validation of the technique.

  18. Infrared spectroscopy for monitoring gas hydrates in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Dobbs, G.T.; Luzinova, Y.; Mizaikoff, B. [Georgia Inst. of Technology, Atlanta, GA (United States). School of Chemistry and Biochemistry; Raichlin, Y.; Katzir, A. [Tel-Aviv Univ., Tel-Aviv (Israel). Shool of Physics and Astronomy

    2008-07-01

    This paper introduced the first principles for monitoring gas hydrate formation and dissociation in aqueous solution by evaluating state-responsive infrared (IR) absorption features of water with fiberoptic evanescent field spectroscopy. A first order linear functional relationship was also derived according to Lambert Beer's law in order to quantify the percentage gas hydrate within the volume of water probed via the evanescent field. In addition, spectroscopic studies evaluating seafloor sediments collected from a gas hydrate site in the Gulf of Mexico revealed minimal spectral interferences from sediment matrix components. As such, evanescent field sensing strategies were established as a promising perspective for monitoring the dynamics of gas hydrates in oceanic environments. 21 refs., 5 figs.

  19. Infrared Absorption Spectroscopy and Chemical Kinetics of Free Radicals

    Energy Technology Data Exchange (ETDEWEB)

    Curl, Robert F; Glass, Graham

    2004-11-01

    This research was directed at the detection, monitoring, and study of the chemical kinetic behavior by infrared absorption spectroscopy of small free radical species thought to be important intermediates in combustion. Work on the reaction of OH with acetaldehyde has been completed and published and work on the reaction of O({sup 1}D) with CH{sub 4} has been completed and submitted for publication. In the course of our investigation of branching ratios of the reactions of O({sup 1}D) with acetaldehyde and methane, we discovered that hot atom chemistry effects are not negligible at the gas pressures (13 Torr) initially used. Branching ratios of the reaction of O({sup 1}D) with CH{sub 4} have been measured at a tenfold higher He flow and fivefold higher pressure.

  20. Brain plasticity and rehabilitation by using Near-Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Balconi Michela

    2016-04-01

    Full Text Available The present review elucidated the use of optical imaging technique (Near-Infrared Spectroscopy, NIRS to better explain the brain plasticity for learning mechanisms, rehabilitation and post-traumatic brain recovery. Some recent applications were discussed, with specific focus on the usability of integrated measures (such as electroencephalography, EEG-NIRS; Transcranial Magnet Stimulation, TMS-NIRS to study plasticity and its dynamic effects. NIRS-Neurofeedback and NIRS-BCI (Brain Computer Interface were also explored as possible tools to produce a specific long-lasting learning in relationship with a specific cognitive domain. Finally a proficient domain where NIRS was found to be useful to test neuroplasticity is the interpersonal brain-to-brain coupling, termed “hyperscanning”, a new emerging paradigm in neuroscience which measures brain activity from two or more people simultaneously.

  1. Near-infrared Spectroscopy in the Brewing Industry.

    Science.gov (United States)

    Sileoni, Valeria; Marconi, Ombretta; Perretti, Giuseppe

    2015-01-01

    This article offers an exhaustive description of the use of Near-Infrared (NIR) Spectroscopy in the brewing industry. This technique is widely used for quality control testing of raw materials, intermediates, and finished products, as well as process monitoring during malting and brewing. In particular, most of the reviewed works focus on the assessment of barley properties, aimed at quickly selecting the best barley varieties in order to produce a high-quality malt leading to high-quality beer. Various works concerning the use of NIR in the evaluation of raw materials, such as barley, malt, hop, and yeast, are also summarized here. The implementation of NIR sensors for the control of malting and brewing processes is also highlighted, as well as the use of NIR for quality assessment of the final product.

  2. Functional near-infrared spectroscopy studies in children

    Directory of Open Access Journals (Sweden)

    Nagamitsu Shinichiro

    2012-03-01

    Full Text Available Abstract Psychosomatic and developmental behavioral medicine in pediatrics has been the subject of significant recent attention, with infants, school-age children, and adolescents frequently presenting with psychosomatic, behavioral, and psychiatric symptoms. These may be a consequence of insecurity of attachment, reduced self-confidence, and peer -relationship conflicts during their developmental stages. Developmental cognitive neuroscience has revealed significant associations between specific brain lesions and particular cognitive dysfunctions. Thus, identifying the biological deficits underlying such cognitive dysfunction may provide new insights into therapeutic prospects for the management of those symptoms in children. Recent advances in noninvasive neuroimaging techniques, and especially functional near-infrared spectroscopy (NIRS, have contributed significant findings to the field of developmental cognitive neuroscience in pediatrics. We present here a comprehensive review of functional NIRS studies of children who have developed normally and of children with psychosomatic and behavioral disorders.

  3. Near-infrared spectroscopy for monitoring muscle oxygenation

    DEFF Research Database (Denmark)

    Boushel, Robert Christopher; Piantadosi, C A

    2000-01-01

    Near-infrared spectroscopy (NIRS) is a non-invasive method for monitoring oxygen availability and utilization by the tissues. In intact skeletal muscle, NIRS allows semi-quantitative measurements of haemoglobin plus myoglobin oxygenation (tissue O2 stores) and the haemoglobin volume. Specialized...... algorithms allow assessment of the oxidation-reduction (redox) state of the copper moiety (CuA) of mitochondrial cytochrome c oxidase and, with the use of specific tracers, accurate assessment of regional blood flow. NIRS has demonstrated utility for monitoring changes in muscle oxygenation and blood flow...... during submaximal and maximal exercise and under pathophysiological conditions including cardiovascular disease and sepsis. During work, the extent to which skeletal muscles deoxygenate varies according to the type of muscle, type of exercise and blood flow response. In some instances, a strong...

  4. Infrared spectroscopy and microscopy in cancer research and diagnosis

    Science.gov (United States)

    Bellisola, Giuseppe; Sorio, Claudio

    2012-01-01

    Since the middle of 20th century infrared (IR) spectroscopy coupled to microscopy (IR microspectroscopy) has been recognized as a non destructive, label free, highly sensitive and specific analytical method with many potential useful applications in different fields of biomedical research and in particular cancer research and diagnosis. Although many technological improvements have been made to facilitate biomedical applications of this powerful analytical technique, it has not yet properly come into the scientific background of many potential end users. Therefore, to achieve those fundamental objectives an interdisciplinary approach is needed with basic scientists, spectroscopists, biologists and clinicians who must effectively communicate and understand each other's requirements and challenges. In this review we aim at illustrating some principles of Fourier transform (FT) Infrared (IR) vibrational spectroscopy and microscopy (microFT-IR) as a useful method to interrogate molecules in specimen by mid-IR radiation. Penetrating into basics of molecular vibrations might help us to understand whether, when and how complementary information obtained by microFT-IR could become useful in our research and/or diagnostic activities. MicroFT-IR techniques allowing to acquire information about the molecular composition and structure of a sample within a micrometric scale in a matter of seconds will be illustrated as well as some limitations will be discussed. How biochemical, structural, and dynamical information about the systems can be obtained by bench top microFT-IR instrumentation will be also presented together with some methods to treat and interpret IR spectral data and applicative examples. The mid-IR absorbance spectrum is one of the most information-rich and concise way to represent the whole “… omics” of a cell and, as such, fits all the characteristics for the development of a clinically useful biomarker. PMID:22206042

  5. Infrared Spectroscopy of HNO and Noh Suspended in Solid Parahydrogen

    Science.gov (United States)

    Anderson, David T.; Ruzi, Mahmut

    2013-06-01

    The only report in the literature on the infrared spectroscopy of the parent oxynitrene NOH was performed using Ar matrix isolation spectroscopy at 10 K. In this previous study, the NOH is synthesized by co-deposition of NO/Ar and a H_2/Ar mixture that is passed through a microwave discharge to create H-atoms. The H-atoms recombine with NO in the Ar matrix to produce mostly HNO, but some NOH is produced as well. In this work we irradiate NO doped parahydrogen solids at 2 K using 193 nm radiation which is known to generate H-atoms as by-products. After the photolysis laser is stopped, we detect growth of HNO and NOH presumably due to reactions of H-atoms with NO analogous to the previous Ar matrix study. The higher energy NOH isomer is predicted by high-level calculations to be in a triplet ground electronic state. Interestingly, the infrared absorptions of NOH for the two observed vibrational modes (bend and OH stretch) display fine structure; an intense central peak with smaller peaks spaced symmetrically to both lower and higher wavenumbers. Further, the spacing between the peaks is the same for both vibrational modes. We believe this fine structure reflects the zero-field splitting of the triplet ground state of NOH (magnetic dipole-dipole interaction) and our most current results and analysis will be presented. G. Maier, H. P. Reisenauer, M. De Marco, Angew. Chem. Int. Ed. 38, 108-110 (1999). M. Fushitani and T. Momose, Low Temp. Phys. 29, 740-743 (2003). U. Bozkaya, J. M. Turney, Y. Yamaguchi, and H. F. Schaefer III, J. Chem. Phys. 136, 164303 (2012).

  6. Determination of quercetins in onion (Allium cepa) using infrared spectroscopy.

    Science.gov (United States)

    Lu, Xiaonan; Ross, Carolyn F; Powers, Joseph R; Rasco, Barbara A

    2011-06-22

    The rapid quantification of flavonoid compounds in onions by attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy combined with multivariate analysis was evaluated as a possible alternative to high-performance liquid chromatography (HPLC) analysis. Quercetin content in onion varieties (yellow, red, and sweet) was quantified using ATR FT-IR (4000 to 400 cm⁻¹) spectroscopy and HPLC methods. Quercetin-3,4'-O-diglucoside (3,4'-Qdg) and quercetin-4'-O-glucoside (4'-Qmg) comprised >80% of the total flavonol content detected in the studied varieties. The quercetin compounds (3,4'-Qdg and 4'-Qmg) and total flavonol conjugates were quantified by HPLC, and results correlated closely with ATR-IR values (R > 0.95). Cross-validated (leave-one-out) partial least-squares regression (PLSR) models successfully predicted concentrations of these quercetins. The standard errors of cross-validation (SECV) of 3,4'-Qdg and 4'-Qmg, total quercetin, and total flavonol contents of onions were 20.43, 21.18, and 21.02 mg/kg fresh weight, respectively. In addition, supervised and unsupervised segregation analyses (principal component analysis, discriminant function analysis, and soft independent modeling of class analogue) were performed to classify onion varieties on the basis of unique infrared spectral features. There was a high degree of segregation (interclass distances > 3.0) for the different types of onion. This study indicated that the IR technique could predict 3,4'-Qdg, 4'-Qmg, total quercetin, and total flavonol contents and has advantages over the traditional HPLC method in providing a valid, efficient, and cost-effective method requiring less sample preparation for the quantification of quercetins in onion.

  7. Voxel-based measurement sensitivity of spatially resolved near-infrared spectroscopy in layered tissues.

    Science.gov (United States)

    Niwayama, Masatsugu

    2018-03-01

    We quantitatively investigated the measurement sensitivity of spatially resolved spectroscopy (SRS) across six tissue models: cerebral tissue, a small animal brain, the forehead of a fetus, an adult brain, forearm muscle, and thigh muscle. The optical path length in the voxel of the model was analyzed using Monte Carlo simulations. It was found that the measurement sensitivity can be represented as the product of the change in the absorption coefficient and the difference in optical path length in two states with different source-detector distances. The results clarified the sensitivity ratio between the surface layer and the deep layer at each source-detector distance for each model and identified changes in the deep measurement area when one of the detectors was close to the light source. A comparison was made with the results from continuous-wave spectroscopy. The study also identified measurement challenges that arise when the surface layer is inhomogeneous. Findings on the measurement sensitivity of SRS at each voxel and in each layer can support the correct interpretation of measured values when near-infrared oximetry or functional near-infrared spectroscopy is used to investigate different tissue structures. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

  8. Influence of earlobe thickness on near infrared spectroscopy

    Science.gov (United States)

    Jiang, Jingying; Wang, Tianpei; Li, Si; Li, Lin; Liu, Jiajia; Xu, Kexin

    2017-03-01

    Near-infrared spectroscopy has been recognized as a potential technology for noninvasive blood glucose sensing. However, the detected spectral signal is unstable mainly because of (1) the weak light absorption of glucose itself within NIR range, (2) the influence of temperature and individual differences of biotissue. Our previous results demonstrated that the synergistic effect of both transmittance and reflectance could enhance the strength of the detection signal. In this talk, we design a set of experiments to analyze the effect of earlobe thickness on Near Infrared spectroscopic measurement by using home-made optical fiber probe within the wavelength of 1000-1600nm. Firstly, we made a MC simulation of single-layer skin model and five-layer skin model to get the diffused transmittance spectra and diffused reflectance spectra under different optaical path lengths. And then we obtain the spectra of the earlobes from different volunteers by the same way. The experimental results showed that with the increase of the thickness,the light intensity of diffused transmittance decreases, and the light intensity of diffused reflectance remaines substantially unchanged.

  9. Near infrared spectroscopy for qualitative comparison of pharmaceutical batches.

    Science.gov (United States)

    Roggo, Y; Roeseler, C; Ulmschneider, M

    2004-11-19

    Pharmaceuticals are produced according to current pharmacopoeias, which require quality parameters. Tablets of identical formulation, produced by different factories should have the same properties before and after storage. In this article, we analyzed samples having two different origins before and after storage (30 degrees C, 75% relative moisture). The aim of the study is to propose two approaches to understand the differences between origins and the storage effect by near infrared spectroscopy. In the first part, the main wavelengths are identified in transmittance and reflectance near infrared spectra in order to identify the major differences between the samples. In this paper, this approach is called fingerprinting. In the second part, principal component analysis (PCA) is computed to confirm the fingerprinting interpretation. The two interpretations show the differences between batches: physical aspect and moisture content. The manufacturing process is responsible for the physical differences between batches. During the storage, changes are due to the increase of moisture content and the decrease of the active content.

  10. Optimal hemodynamic response model for functional near-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Muhammad Ahmad Kamran

    2015-06-01

    Full Text Available Functional near-infrared spectroscopy (fNIRS is an emerging non-invasive brain imaging technique and measures brain activities by means of near-infrared light of 650-950 nm wavelengths. The cortical hemodynamic response (HR differs in attributes at different brain regions and on repetition of trials, even if the experimental paradigm is kept exactly the same. Therefore, an HR model that can estimate such variations in the response is the objective of this research. The canonical hemodynamic response function (cHRF is modeled by using two Gamma functions with six unknown parameters. The HRF model is supposed to be linear combination of HRF, baseline and physiological noises (amplitudes and frequencies of physiological noises are supposed to be unknown. An objective function is developed as a square of the residuals with constraints on twelve free parameters. The formulated problem is solved by using an iterative optimization algorithm to estimate the unknown parameters in the model. Inter-subject variations in HRF and physiological noises have been estimated for better cortical functional maps. The accuracy of the algorithm has been verified using ten real and fifteen simulated data sets. Ten healthy subjects participated in the experiment and their HRF for finger-tapping tasks have been estimated and analyzed. The statistical significance of the estimated activity strength parameters has been verified by employing statistical analysis, i.e., (t-value >tcritical and p-value < 0.05.

  11. Pulsed near-infrared photoacoustic spectroscopy of blood

    Science.gov (United States)

    Laufer, Jan G.; Elwell, Clare E.; Delpy, Dave T.; Beard, Paul C.

    2004-07-01

    The aim of this study was to use pulsed near infrared photoacoustic spectroscopy to determine the oxygen saturation (SO2) of a saline suspension of red blood cells in vitro. The photoacoustic measurements were made in a cuvette which formed part of a larger circuit through which the red blood cell suspension was circulated. Oxygen saturation of the red blood cell suspension was altered between 2-3% to 100% in step increments using a membrane oxygenator and at each increment an independent measurement of oxygen saturation was made using a co-oximeter. An optical parametric oscillator laser system provided nanosecond excitation pulses at a number of wavelengths in the near-infrared spectrum (740-1040nm) which were incident on the cuvette. The resulting acoustic signals were detected using a broadband (15MHz) Fabry-Perot polymer film transducer. The optical transport coefficient and amplitude were determined from the acoustic signals as a function of wavelength. These data were then used to calculate the relative concentrations of oxy- and deoxyhaemoglobin, using their known specific absorption coefficients and an empirically determined wavelength dependence of optical scattering over the wavelength range investigated. From this, the oxygen saturation of the suspension was derived with an accuracy of +/-5% compared to the co-oximeter SO2 measurements.

  12. Infrared spectroscopy: a tool for determination of the degree of conversion in dental composites

    Directory of Open Access Journals (Sweden)

    Luciene Gonçalves Palmeira Moraes

    2008-04-01

    Full Text Available Infrared spectroscopy is one of the most widely used techniques for measurement of conversion degree in dental composites. However, to obtain good quality spectra and quantitative analysis from spectral data, appropriate expertise and knowledge of the technique are mandatory. This paper presents important details to use infrared spectroscopy for determination of the conversion degree.

  13. Near-Infrared Spatially Resolved Spectroscopy for Tablet Quality Determination.

    Science.gov (United States)

    Igne, Benoît; Talwar, Sameer; Feng, Hanzhou; Drennen, James K; Anderson, Carl A

    2015-12-01

    Near-infrared (NIR) spectroscopy has become a well-established tool for the characterization of solid oral dosage forms manufacturing processes and finished products. In this work, the utility of a traditional single-point NIR measurement was compared with that of a spatially resolved spectroscopic (SRS) measurement for the determination of tablet assay. Experimental designs were used to create samples that allowed for calibration models to be developed and tested on both instruments. Samples possessing a poor distribution of ingredients (highly heterogeneous) were prepared by under-blending constituents prior to compaction to compare the analytical capabilities of the two NIR methods. The results indicate that SRS can provide spatial information that is usually obtainable only through imaging experiments for the determination of local heterogeneity and detection of abnormal tablets that would not be detected with single-point spectroscopy, thus complementing traditional NIR measurement systems for in-line, and in real-time tablet analysis. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

  14. Infrared spectroscopy for geologic interpretation of TIMS data

    Science.gov (United States)

    Bartholomew, Mary Jane

    1986-01-01

    The Portable Field Emission Spectrometer (PFES) was designed to collect meaningful spectra in the field under climatic, thermal, and sky conditions that approximate those at the time of the overflight. The specifications and procedures of PFES are discussed. Laboratory reflectance measurements of rocks and minerals were examined for the purpose of interpreting Thermal Infrared Multispectral Scanner (TIMS) data. The capability is currently being developed to perform direct laboratory measurement of the normal spectral radiance of Earth surface materials at low temperatures (20 to 30 C) at the Jet Propulsion Laboratory.

  15. Near-infrared spectroscopy for cocrystal screening. A comparative study with Raman spectroscopy.

    Science.gov (United States)

    Allesø, Morten; Velaga, Sitaram; Alhalaweh, Amjad; Cornett, Claus; Rasmussen, Morten A; van den Berg, Frans; de Diego, Heidi Lopez; Rantanen, Jukka

    2008-10-15

    Near-infrared (NIR) spectroscopy is a well-established technique for solid-state analysis, providing fast, noninvasive measurements. The use of NIR spectroscopy for polymorph screening and the associated advantages have recently been demonstrated. The objective of this work was to evaluate 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 methods. In the case of saccharin, liquid-assisted cogrinding as well as cocrystallization from solution resulted in a stable 1:1 cocrystalline phase termed IND-SAC cocrystal. For l-aspartic acid, the solution-based method resulted in a polymorphic transition of indomethacin into the metastable alpha form 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 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 (PCA) was applied. Successful use of NIR/PCA was possible only through the inclusion of a set of reference mixtures of parent and guest molecules representing possible solid-state outcomes from the cocrystal screening. The practical hurdle related to the need for reference mixtures seems to restrict the applicability of NIR spectroscopy in cocrystal screening.

  16. Advanced multivariate data evaluation for Fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Diewok, J.

    2002-12-01

    The objective of the presented dissertation was the evaluation, application and further development of advanced multivariate data evaluation methods for qualitative and quantitative Fourier transform infrared (FT-IR) measurements, especially of aqueous samples. The focus was set on 'evolving systems'; i.e. chemical systems that change gradually with a master variable, such as pH, reaction time, elution time, etc. and that are increasingly encountered in analytical chemistry. FT-IR measurements on such systems yield 2-way and 3-way data sets, i.e. data matrices and cubes. The chemometric methods used were soft-modeling techniques, like multivariate curve resolution - alternating least squares (MCR-ALS) or principal component analysis (PCA), hard modeling of equilibrium systems and two-dimensional correlation spectroscopy (2D-CoS). The research results are presented in six publications and comprise: A new combination of FT-IR flow titrations and second-order calibration by MCR-ALS for the quantitative analysis of mixture samples of organic acids and sugars. A novel combination of MCR-ALS with a hard-modeled equilibrium constraint for second-order quantitation in pH-modulated samples where analytes and interferences show very similar acid-base behavior. A detailed study in which MCR-ALS and 2D-CoS are directly compared for the first time. From the analysis of simulated and experimental acid-base equilibrium systems, the performance and interpretability of the two methods is evaluated. Investigation of the binding process of vancomycin, an important antibiotic, to a cell wall analogue tripeptide by time-resolved FT-IR spectroscopy and detailed chemometric evaluation. Determination of red wine constituents by liquid chromatography with FT-IR detection and MCR-ALS for resolution of overlapped peaks. Classification of red wine cultivars from FT-IR spectroscopy of phenolic wine extracts with hierarchical clustering and soft independent modeling of class analogy (SIMCA

  17. Role of Infrared Spectroscopy and Imaging in Cancer Diagnosis.

    Science.gov (United States)

    Kumar, Saroj; Srinivasan, Alagiri; Nikolajeff, Fredrik

    2018-01-01

    Cancer is a major global health issue. It causes extensive individual suffering and gives a huge burden on the health care in society. Despite extensive research and different tools have been developed it still remains a challenge for early detection of this disease. FTIR imaging has been used to diagnose and differentiate the molecular differences between normal and diseased tissues. Fourier Transform Infrared Spectroscopy (FTIR) is able to measure biochemical changes in tissue, cell and biofluids based on the vibrational signature of their components. This technique enables to the distribution and structure of lipids, proteins, nucleic acids as well as other metabolites. These differences depended on the type and the grade of cancer. We emphasize here, that the FTIR spectroscopy and imaging can be considered as a promising technique and will find its place on the detection of this dreadful disease because of high sensitivity, accuracy and inexpensive technique. Now the medical community started using and accepting this technique for early stage cancer detection. We discussed this technique and the several challenges in its application for the diagnosis of cancer in regards of sample preparations, data interpretation, and data analysis. The sensitivity of chemotherapy drugs on individual specific has also discussed. So far progressed has done with the FTIR imaging in understanding of cancer disease pathology. However, more research is needed in this field and it is necessary to understand the morphology and biology of the sample before using the spectroscopy and imaging because invaluable information to be figured out. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  18. High-speed high-sensitivity infrared spectroscopy using mid-infrared swept lasers (Conference Presentation)

    Science.gov (United States)

    Childs, David T. D.; Groom, Kristian M.; Hogg, Richard A.; Revin, Dmitry G.; Cockburn, John W.; Rehman, Ihtesham U.; Matcher, Stephen J.

    2016-03-01

    Infrared spectroscopy is a highly attractive read-out technology for compositional analysis of biomedical specimens because of its unique combination of high molecular sensitivity without the need for exogenous labels. Traditional techniques such as FTIR and Raman have suffered from comparatively low speed and sensitivity however recent innovations are challenging this situation. Direct mid-IR spectroscopy is being speeded up by innovations such as MEMS-based FTIR instruments with very high mirror speeds and supercontinuum sources producing very high sample irradiation levels. Here we explore another possible method - external cavity quantum cascade lasers (EC-QCL's) with high cavity tuning speeds (mid-IR swept lasers). Swept lasers have been heavily developed in the near-infrared where they are used for non-destructive low-coherence imaging (OCT). We adapt these concepts in two ways. Firstly by combining mid-IR quantum cascade gain chips with external cavity designs adapted from OCT we achieve spectral acquisition rates approaching 1 kHz and demonstrate potential to reach 100 kHz. Secondly we show that mid-IR swept lasers share a fundamental sensitivity advantage with near-IR OCT swept lasers. This makes them potentially able to achieve the same spectral SNR as an FTIR instrument in a time x N shorter (N being the number of spectral points) under otherwise matched conditions. This effect is demonstrated using measurements of a PDMS sample. The combination of potentially very high spectral acquisition rates, fundamental SNR advantage and the use of low-cost detector systems could make mid-IR swept lasers a powerful technology for high-throughput biomedical spectroscopy.

  19. Surface-enhanced Raman spectroscopy: nonlocal limitations

    DEFF Research Database (Denmark)

    Toscano, Giuseppe; Raza, Søren; Xiao, Sanshui

    2012-01-01

    for our understanding of surface-enhanced Raman spectroscopy (SERS). The intrinsic length scale of the electron gas serves to smear out assumed field singularities, leaving the SERS enhancement factor finite, even for geometries with infinitely sharp features. For silver nanogroove structures, mimicked...

  20. Reflectance spectroscopy and asteroid surface mineralogy

    International Nuclear Information System (INIS)

    Gaffey, M.J.; Bell, J.F.; Cruikshank, D.P.

    1989-01-01

    Information available from reflectance spectroscopy on the surface mineralogy of asteroids is discussed. Current spectral interpretive procedures used in the investigations of asteroid mineralogy are described. Present understanding of the nature and history of asteroids is discussed together with some still unresolved issues such as the source of ordinary chondrites. 100 refs

  1. Surface Fluctuation Scattering using Grating Heterodyne Spectroscopy

    DEFF Research Database (Denmark)

    Edwards, R. V.; Sirohi, R. S.; Mann, J. A.

    1982-01-01

    Heterodyne photon spectroscopy is used for the study of the viscoelastic properties of the liquid interface by studying light scattered from thermally generated surface fluctuations. A theory of a heterodyne apparatus based on a grating is presented, and the heterodyne condition is given in terms...

  2. Indirect absorption spectroscopy using quantum cascade lasers: mid-infrared refractometry and photothermal spectroscopy.

    Science.gov (United States)

    Pfeifer, Marcel; Ruf, Alexander; Fischer, Peer

    2013-11-04

    We record vibrational spectra with two indirect schemes that depend on the real part of the index of refraction: mid-infrared refractometry and photothermal spectroscopy. In the former, a quantum cascade laser (QCL) spot is imaged to determine the angles of total internal reflection, which yields the absorption line via a beam profile analysis. In the photothermal measurements, a tunable QCL excites vibrational resonances of a molecular monolayer, which heats the surrounding medium and changes its refractive index. This is observed with a probe laser in the visible. Sub-monolayer sensitivities are demonstrated.

  3. Species authentication and geographical origin discrimination of herbal medicines by near infrared spectroscopy: A review

    Directory of Open Access Journals (Sweden)

    Pei Wang

    2015-10-01

    Full Text Available Near infrared (NIR spectroscopy as a rapid and nondestructive analytical technique, integrated with chemometrics, is a powerful process analytical tool for the pharmaceutical industry and is becoming an attractive complementary technique for herbal medicine analysis. This review mainly focuses on the recent applications of NIR spectroscopy in species authentication of herbal medicines and their geographical origin discrimination. Keywords: Near infrared spectroscopy, Herbal medicine, Species authentication, Geographical origin discrimination, Quality control

  4. Energy loss spectroscopy applied to surface studies

    International Nuclear Information System (INIS)

    Lecante, J.

    1975-01-01

    The analysis of energy losses suffered by slow electrons (5eV to 300eV) back-scattered by single crystal surfaces appears to be a powerful method for surfaces studies. The inelastic scattering of these slow electrons limits their escape depth to the surface region. After a review of the basic excitation processes due to the interaction between electrons and surfaces (phonons, plasmons and electronic transitions) a brief discussion is given about the instruments needed for this electrons spectroscopy. Finally some experimental results are listed and it is shown that the comparison of the results given by ELS with other surface sensitive methods such as UPS is very fruitful and new information can be obtained. The improvement of theoretical studies on surface excitations due to slow electrons will provide in the next future the possibility of analysing in a more quantitative way the results given by ELS [fr

  5. Optimal hemodynamic response model for functional near-infrared spectroscopy.

    Science.gov (United States)

    Kamran, Muhammad A; Jeong, Myung Yung; Mannan, Malik M N

    2015-01-01

    Functional near-infrared spectroscopy (fNIRS) is an emerging non-invasive brain imaging technique and measures brain activities by means of near-infrared light of 650-950 nm wavelengths. The cortical hemodynamic response (HR) differs in attributes at different brain regions and on repetition of trials, even if the experimental paradigm is kept exactly the same. Therefore, an HR model that can estimate such variations in the response is the objective of this research. The canonical hemodynamic response function (cHRF) is modeled by two Gamma functions with six unknown parameters (four of them to model the shape and other two to scale and baseline respectively). The HRF model is supposed to be a linear combination of HRF, baseline, and physiological noises (amplitudes and frequencies of physiological noises are supposed to be unknown). An objective function is developed as a square of the residuals with constraints on 12 free parameters. The formulated problem is solved by using an iterative optimization algorithm to estimate the unknown parameters in the model. Inter-subject variations in HRF and physiological noises have been estimated for better cortical functional maps. The accuracy of the algorithm has been verified using 10 real and 15 simulated data sets. Ten healthy subjects participated in the experiment and their HRF for finger-tapping tasks have been estimated and analyzed. The statistical significance of the estimated activity strength parameters has been verified by employing statistical analysis (i.e., t-value > t critical and p-value < 0.05).

  6. Differentiation and detection of microorganisms using Fourier transform infrared photoacoustic spectroscopy

    Science.gov (United States)

    Irudayaraj, Joseph; Yang, Hong; Sakhamuri, Sivakesava

    2002-03-01

    Fourier transform infrared photoacoustic spectroscopy (FTIR-PAS) was used to differentiate and identify microorganisms on a food (apple) surface. Microorganisms considered include bacteria (Lactobacillus casei, Bacillus cereus, and Escherichia coli), yeast (Saccharomyces cerevisiae), and fungi (Aspergillus niger and Fusarium verticilliodes). Discriminant analysis was used to differentiate apples contaminated with the different microorganisms from uncontaminated apple. Mahalanobis distances were calculated to quantify the differences. The higher the value of the Mahalanobis distance metric between different microorganisms, the greater is their difference. Additionally, pathogenic (O157:H7) E. coli was successfully differentiated from non-pathogenic strains. Results demonstrate that FTIR-PAS spectroscopy has the potential to become a non-destructive analysis tool in food safety related research.

  7. Formation and Thermal Infrared Spectroscopy of Halite Crusts

    Science.gov (United States)

    Baldridge, A. M.; Christensen, P. R.

    2003-12-01

    Efflorescent salt crusts form as groundwater evaporates from capillary updraw of brine through sediment. Salts precipitate at the surface, coating and cementing the upper few layers of sediment. If enough brine is present to completely saturate and pond on top of the surface, halite will precipitate at the surface of the brine and settle out as layers of crystalline salt on top of the sediment. In playa environments, salts such as sulfates, carbonates and halides, and forms such crusts. In remote sensing studies of such surfaces, it is important to understand how the presence of salt crusts affects the spectral features of the surrounding sediment. This is especially true when the crusts form from a non-absorbing salt such as halite. Halite has been observed to exhibit unusual spectral properties in the thermal infrared. Specifically, granular mixtures of minerals with halite produced spectra in which the spectral features inverted form reflectivity, shifted to shorter wavelengths and the spectral contrast increased near absorption bands. However, in crusted surfaces, in which the halite cements, coats or overlays the mineral grains, the presence of halite has a different affect on the spectra. This work will examine the precipitation of halite and the formation of salt crusts for several sediment and brine mixtures. Laboratory measurements of thermal emission spectra for the crusts will be compared to previous studies for particulate mixtures of halite with minerals and well as to natural surface crusts. Detailed knowledge of such surfaces will allow for their discrimination and identification in terrestrial playa settings as well as in paleo-environments on Mars.

  8. Quantitative analysis of ice films by near-infrared spectroscopy

    Science.gov (United States)

    Keiser, Joseph T.

    1990-01-01

    One of the outstanding problems in the Space Transportation System is the possibility of the ice buildup on the external fuel tank surface while it is mounted on the launch pad. During the T-2 hours (and holding) period, the frost/ice thickness on the external tank is monitored/measured. However, after the resumption of the countdown time, the tank surface can only be monitored remotely. Currently, remote sensing is done with a TV camera coupled to a thermal imaging device. This device is capable of identifying the presence of ice, especially if it is covered with a layer of frost. However, it has difficulty identifying transparent ice, and, it is not capable of determining the thickness of ice in any case. Thus, there is a need for developing a technique for measuring the thickness of frost/ice on the tank surface during this two hour period before launch. The external tank surface is flooded with sunlight (natural or simulated) before launch. It may be possible, therefore, to analyze the diffuse reflection of sunlight from the external tank to determine the presence and thickness of ice. The purpose was to investigate the feasibility of this approach. A near-infrared spectrophotometer was used to record spectra of ice. It was determined that the optimum frequencies for monitoring the ice films were 1.03 and 1.255 microns.

  9. Infrared Analysis Of Enzymes Adsorbed Onto Model Surfaces

    Science.gov (United States)

    Story, Gloria M.; Rauch, Deborah S.; Brode, Philip F.; Marcott, Curtis A.

    1989-12-01

    The adsorption of the enzymes, subtilisin BPN' and lysozyme, onto model surfaces was examined using attenuated total reflectance (ATR) infrared (IR) spectroscopy. Using a cylindrical internal reflection (CIRcle) cell with a Germanium (Ge) internal reflection element (IRE), model hydrophilic surfaces were made by plasma cleaning the IRE and model hydrophobic surfaces were made by precoating the IRE with a thin film of polystyrene. Gas chromatography (GC)-IR data collection software was used to monitor adsorption kinetics during the first five minutes after injection of the enzyme into the CIRcle cell. It was found that for both lysozyme and BPN', most of the enzyme that was going to adsorb onto the model surface did so within ten seconds after injection. Nearly an order-of-magnitude more BPN' adsorbed on the hydrophobic Ge surface than the hydrophilic one, while lysozyme adsorbed somewhat more strongly to the hydrophilic Ge surface. Overnight, the lysozyme layer continued to increase in thickness, while BPN' maintained its initial coverage. The appearance of carboxylate bands in some of the adsorbed BPN' spectra suggests the occurrence of peptide bond hydrolysis. A Au/Pd coating on the CIRcle cell o-rings had a significant effect on the adsorption of BPN'. (This coating was applied in an attempt to eliminate interfering Teflon absorption bands.) An apparent electrochemical reaction occurred, involving BPN', Ge, Au/Pd, and the salt solution used to stabilize BPN'. The result of this reaction was enhanced adsorption of the enzyme around the coated o-rings, etching of the Ge IRE at the o-ring site, and some autolysis of the enzyme. No such reaction was observed with lysozyme.

  10. State of dissolved water in triglycerides as determined by Fourier transform infrared and near infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kurashige, J. (Ajinomoto Co. Inc., Tokyo (Japan)); Takaoka, K.; Takasago, M.; Taru, Y.; Kobayashi, K. (Musashi Institute of Technology, Tokyo (Japan))

    1991-07-20

    The states of dissolved water in triglycerides (TG) such as tristearin, triolein, trilinolein and trilinolenin were analyzed by Fourier transform infrared (FT-IR) and near infrared (FT-NIR) spectroscopy, and compared with those of water itself. In the case of water, its states were considered to be mainly polymer clusters larger than dimer ones at 20{degree}C, and mostly monomer or dimer clusters at 120{degree}C. In TG, the states varied widely from monomer to polymer clusters at 20{degree}C. The distribution ratios of the water clusters observed in TG depended on the kinds of fatty acids of TG, and the water state was noted to change due to the interaction between unsaturated bonds and dissolved water. Although the states of dissolved water in trilinolein were similar to those of original water at 20{degree}C, the ratio of monomer water decreased and polymer clusters bigger than those in original water increased with an increase in number of unsaturated bonds of TG. 9 refs., 6 figs., 3 tabs.

  11. Characterizing process effects on pharmaceutical solid forms using near-infrared spectroscopy and infrared imaging.

    Science.gov (United States)

    Roggo, Y; Jent, N; Edmond, A; Chalus, P; Ulmschneider, M

    2005-09-01

    Near-infrared spectroscopy (NIRS) has become a widely used analytical technique in the pharmaceutical industry, serving for example to determine the active substance or water content of tablets. Its great advantage lies in the minimal sample preparation required and speed of measurement. In a study designed to detect the effects of process on tablet dissolution, we describe the application of NIRS to the detection and identification of changes in uncoated and coated tablets in response to pilot-scale changes in process parameters during melt granulation, compression, and coating. Beginning with a qualitative comparison between pharmaceutical batches, we show that NIRS and principal component analysis can separate batches produced with different melt granulation parameters and differentiate between cores compressed with different compaction forces. Complementary infrared imaging can also explain the difference in dissolution properties between samples produced with different melt granulation parameters. NIRS is sensitive to changes in coating formulation, the quality of a coating excipient (hydroxypropyl methylcellulose), and coating time. In a concluding quantitative analysis, we demonstrate the feasibility of NIRS in a manufacturing context for predicting coating time and detecting production cores failing to meet dissolution test specifications.

  12. Energy loss spectroscopy applied to surface studies

    International Nuclear Information System (INIS)

    Lecante, J.

    1975-01-01

    The analysis of energy losses suffered by slow electrons (5 eV to 300 eV) back-scattered by single crystal surfaces appears to be a powerful method for surfaces studies. The inelastic scattering of these slow electrons limits their escape depth to the surface region which is defined here. After a review of the basic excitation processes due to the interaction between electrons and surfaces (phonons, plasmons and electronic transitions) a brief discussion is given about the instruments needed for this electron spectroscopy. Finally some experimental results are listed and it is shown that the comparison of the results given by ELS with other surface sensitive methods such as UPS is very fruitful and new information can be obtained [fr

  13. Infrared fiber optic evanescent wave spectroscopy: applications in biology and medicine

    Science.gov (United States)

    Afanasyeva, Natalia I.; Bruch, Reinhard F.; Katzir, Abraham

    1999-04-01

    A new powerful and highly sensitive technique for non-invasive biomedical diagnostics in vivo has been developed using Infrared Fiberoptic Evanescent Wave Fourier Transform Spectroscopy (FEW-FTIR). This compact and portable method allows to detect functional chemical groups and bonds via vibrational spectroscopy directly from surfaces including living tissue. Such differences and similarities in molecular structure of tissue and materials can be evaluated online. Operating in the attenuated total reflection (ATR) regime in the middle-infrared (MIR) range, the FEW-FTIR technique provides direct contact between the fiber probe and tissue for non-destructive, non-invasive, fast and remote (few meters) diagnostics and quality control of materials. This method utilizes highly flexible and extremely low loss unclad fibers, for example silver halide fibers. Applications of this method include investigations of normal skin, precancerous and cancerous conditions, monitoring of the process of aging, allergic reactions and radiation damage to the skin. This setup is suitable as well for the detection of the influence of environmental factors (sun, water, pollution, and weather) on skin surfaces. The FEW-FTIR technique is very promising also for fast histological examinations in vitro. In this review, we present recent investigations of skin, breast, lung, stomach, kidney tissues in vivo and ex vivo (during surgery) to define the areas of tumor localization. The main advantages of the FEW-FTIR technique for biomedical, clinical, and environmental applications are discussed.

  14. Thyroid lesions diagnosis by Fourier transformed infrared absorption spectroscopy (FTIR)

    International Nuclear Information System (INIS)

    Albero, Felipe Guimaraes

    2009-01-01

    Thyroid nodules are a common disorder, with 4-7% of incidence in the Brazilian population. Although the fine needle aspiration (FNA) is an accurate method for thyroid tumors diagnosis, the discrimination between benign and malignant neoplasm is currently not possible in some cases with high incidence of false negative diagnosis, leading to a surgical intervention due to the risk of carcinomas. The aim of this study was to verify if the Fourier Transform infrared spectroscopy (FTIR) can contribute to the diagnosis of thyroid carcinomas and goiters, using samples of tissue and aspirates. Samples of FNA, homogenates and tissues of thyroid nodules with histopathological diagnosis were obtained and prepared for FTIR spectroscopy analysis. The FNA and homogenates samples were measured by μ-FTIR (between 950 . 1750 cm -1 ), at a nominal resolution of 4 cm -1 and 120 scans). Tissue samples were analyzed directly by ATR-FTIR technique, at a resolution 2 cm -1 , with 60 scans in the same region. All spectra were corrected by the baseline and normalized by amides area (1550-1640 cm -1 ) in order to minimize variations of sample homogeneity. Then, spectra were converted into second derivatives using the Savitzk-Golay algorithm with a 13 points window. The Ward's minimum variance algorithm and Euclidean distances among the points were used for cluster analysis. Some FNA samples showed complex spectral pattern. All samples showed some cell pellets and large amount of hormone, represented by the bands of 1545 and 1655 cm -1 . Bands in 1409, 1412, 1414, 1578 and 1579 cm -1 were also found, indicating possible presence of sugar, DNA, citric acid or metabolic products. In this study, it was obtained an excellent separation between goiter and malign lesion for the samples of tissues, with 100% of specificity in specific cluster and 67% sensibility and 50 of specificity. In homogenate and FNA samples this sensibility and specificity were lower, because among these samples, it were

  15. Near infrared spectroscopy in the study of polymorphic transformations

    Energy Technology Data Exchange (ETDEWEB)

    Blanco, Marcel [Department of Chemistry, Analytical Chemistry Unity, Faculty of Sciences, Autonomous University of Barcelona, E-08193 Bellaterra, Barcelona (Spain)]. E-mail: marcel.blanco@uab.es; Alcala, Manel [Department of Chemistry, Analytical Chemistry Unity, Faculty of Sciences, Autonomous University of Barcelona, E-08193 Bellaterra, Barcelona (Spain); Gonzalez, Josep M. [Laboratorios Menarini S.A., c/. Alfons XII, 587, E-08918 Badalona, Barcelona (Spain); Torras, Ester [Laboratorios Menarini S.A., c/. Alfons XII, 587, E-08918 Badalona, Barcelona (Spain)

    2006-05-17

    The potential of near infrared (NIR) spectroscopy for the characterization of polymorphs in the active principle of a commercial formulation prior to and after the manufacturing process was assessed. Polymorphism in active principles is extremely significant to the pharmaceutical industry. Polymorphic changes during the production of commercial pharmaceutical formulations can alter some properties of the resulting end-products. Multivariate curve resolution-alternating least squares (MCR-ALS) methodology was used to obtain the 'pure' NIR spectrum for the active principle without the need to pretreat samples. This methodology exposed the polymorphic transformation of Dexketoprofen Trometamol (DKP) in both laboratory and production samples obtained by wet granulation. No polymorphic transformation, however, was observed in samples obtained by direct compaction. These results were confirmed using by X-ray powder diffractometry (XRD) and differential scanning calorimetry (DSC) measurements. Pure crystalline polymorphs of DKP were available in the laboratory but amorphous form was not, nevertheless the developed methodology allows the identification of amorphous and crystal forms in spite of the lack of pure DKP.

  16. The application of near infrared spectroscopy in nutritional intervention studies

    Directory of Open Access Journals (Sweden)

    Philippa A Jackson

    2013-08-01

    Full Text Available Functional near infrared spectroscopy (NIRS is a non-invasive optical imaging technique used to monitor cerebral blood flow (CBF and by proxy neuronal activation. The use of NIRS in nutritional intervention studies is a relatively novel application of this technique, with only a small, but growing, number of trials published to date. These trials—in which the effects on CBF following administration of dietary components such as caffeine, polyphenols and omega-3 polyunsaturated fatty acids are assessed—have successfully demonstrated NIRS as a sensitive measure of change in haemodynamic response during cognitive tasks in both acute and chronic treatment intervention paradigms. The existent research in this area has been limited by the constraints of the technique itself however advancements in the measurement technology, paired with studies endeavouring increased sophistication in number and locations of channels over the head should render the use of NIRS in nutritional interventions particularly valuable in advancing our understanding of the effects of nutrients and dietary components on the brain.

  17. Quantification of atmospheric formaldehyde by infrared absorption spectroscopy

    Science.gov (United States)

    Hoffnagle, John; Fleck, Derek; Rella, Chris; Kim-Hak, David

    2017-04-01

    Formaldehyde is a toxic, carcinogenic compound that can contaminate ambient air as a result of combustion or outgassing of commercial products such as adhesives used to fabricate plywood and to affix indoor carpeting. Like many small molecules, formaldehyde has an infrared absorption spectrum exhibiting bands of ro-vibrational transitions that are well resolved at low pressure and therefore well suited for optical analysis of formaldehyde concentration. We describe progress in applying cavity ring-down spectroscopy of the 2v5 band (the first overtone of the asymmetric C-H stretch, origin at 1770 nm) to the quantitative analysis of formaldehyde concentration in ambient air. Preliminary results suggest that a sensitivity of 1-2 ppb in a measurement interval of a few seconds, and 0.1-0.2 ppb in a few minutes, should be achievable with a compact, robust, and field-deployable instrument. Finally, we note that recent satellites monitoring snapshots of formaldehyde columns give insights into global formaldehyde production, migration and lifetime. The ability to monitor formaldehyde with a small and portable analyzer has the potential to aid in validation of these snapshots and to provide complementary data to show vertical dispersions with high spatial accuracy.

  18. Portable Infrared Laser Spectroscopy for On-site Mycotoxin Analysis

    Science.gov (United States)

    Sieger, Markus; Kos, Gregor; Sulyok, Michael; Godejohann, Matthias; Krska, Rudolf; Mizaikoff, Boris

    2017-03-01

    Mycotoxins are toxic secondary metabolites of fungi that spoil food, and severely impact human health (e.g., causing cancer). Therefore, the rapid determination of mycotoxin contamination including deoxynivalenol and aflatoxin B1 in food and feed samples is of prime interest for commodity importers and processors. While chromatography-based techniques are well established in laboratory environments, only very few (i.e., mostly immunochemical) techniques exist enabling direct on-site analysis for traders and manufacturers. In this study, we present MYCOSPEC - an innovative approach for spectroscopic mycotoxin contamination analysis at EU regulatory limits for the first time utilizing mid-infrared tunable quantum cascade laser (QCL) spectroscopy. This analysis technique facilitates on-site mycotoxin analysis by combining QCL technology with GaAs/AlGaAs thin-film waveguides. Multivariate data mining strategies (i.e., principal component analysis) enabled the classification of deoxynivalenol-contaminated maize and wheat samples, and of aflatoxin B1 affected peanuts at EU regulatory limits of 1250 μg kg-1 and 8 μg kg-1, respectively.

  19. Near-infrared imaging spectroscopy for counterfeit drug detection

    Science.gov (United States)

    Arnold, Thomas; De Biasio, Martin; Leitner, Raimund

    2011-06-01

    Pharmaceutical counterfeiting is a significant issue in the healthcare community as well as for the pharmaceutical industry worldwide. The use of counterfeit medicines can result in treatment failure or even death. A rapid screening technique such as near infrared (NIR) spectroscopy could aid in the search for and identification of counterfeit drugs. This work presents a comparison of two laboratory NIR imaging systems and the chemometric analysis of the acquired spectroscopic image data. The first imaging system utilizes a NIR liquid crystal tuneable filter and is designed for the investigation of stationary objects. The second imaging system utilizes a NIR imaging spectrograph and is designed for the fast analysis of moving objects on a conveyor belt. Several drugs in form of tablets and capsules were analyzed. Spectral unmixing techniques were applied to the mixed reflectance spectra to identify constituent parts of the investigated drugs. The results show that NIR spectroscopic imaging can be used for contact-less detection and identification of a variety of counterfeit drugs.

  20. Near Infrared Spectroscopy during pediatric cardiac surgery: errors and pitfalls.

    Science.gov (United States)

    Durandy, Y; Rubatti, M; Couturier, R

    2011-09-01

    As a result of improvements in early outcomes, long-term neurologicalal outcomes are becoming a major issue in pediatric cardiac surgery. The mechanisms of brain injury are numerous, but a vast majority of injuries are impervious to therapy and only a few are modifiable. The quality of perfusion during cardiac surgery is a modifiable factor and cerebral monitoring during bypass is the way to assess the quality of intra-operative cerebral perfusion. Near infrared spectroscopy (NIRS), as a diagnostic tool, has gained in popularity within the perfusion community. However, NIRS is becoming the standard of care before its scientific validation. This manuscript relates four clinical cases, demonstrating the limitations of NIRS monitoring during pediatric cardiac surgery as well as uncertainties about the interpretation of the recorded values. The clinical relevance of cerebral oxymetry is needed before the use of NIRS as a decision making tool. Multimodal brain monitoring with NIRS, trans-cranial Doppler and electroencephalogram are currently under way in several pediatric centers. The benefit of this time-consuming and expensive monitoring system has yet to be demonstrated.

  1. Near infrared spectroscopy based brain-computer interface

    Science.gov (United States)

    Ranganatha, Sitaram; Hoshi, Yoko; Guan, Cuntai

    2005-04-01

    A brain-computer interface (BCI) provides users with an alternative output channel other than the normal output path of the brain. BCI is being given much attention recently as an alternate mode of communication and control for the disabled, such as patients suffering from Amyotrophic Lateral Sclerosis (ALS) or "locked-in". BCI may also find applications in military, education and entertainment. Most of the existing BCI systems which rely on the brain's electrical activity use scalp EEG signals. The scalp EEG is an inherently noisy and non-linear signal. The signal is detrimentally affected by various artifacts such as the EOG, EMG, ECG and so forth. EEG is cumbersome to use in practice, because of the need for applying conductive gel, and the need for the subject to be immobile. There is an urgent need for a more accessible interface that uses a more direct measure of cognitive function to control an output device. The optical response of Near Infrared Spectroscopy (NIRS) denoting brain activation can be used as an alternative to electrical signals, with the intention of developing a more practical and user-friendly BCI. In this paper, a new method of brain-computer interface (BCI) based on NIRS is proposed. Preliminary results of our experiments towards developing this system are reported.

  2. Screening experiments of ecstasy street samples using near infrared spectroscopy.

    Science.gov (United States)

    Sondermann, N; Kovar, K A

    1999-12-20

    Twelve different sets of confiscated ecstasy samples were analysed applying both near infrared spectroscopy in reflectance mode (1100-2500 nm) and high-performance liquid chromatography (HPLC). The sets showed a large variance in composition. A calibration data set was generated based on the theory of factorial designs. It contained 221 N-methyl-3,4-methylenedioxyamphetamine (MDMA) samples, 167 N-ethyl-3,4-methylenedioxyamphetamine (MDE), 111 amphetamine and 106 samples without a controlled substance, which will be called placebo samples thereafter. From this data set, PLS-1 models were calculated and were successfully applied for validation of various external laboratory test sets. The transferability of these results to confiscated tablets is demonstrated here. It is shown that differentiation into placebo, amphetamine and ecstasy samples is possible. Analysis of intact tablets is practicable. However, more reliable results are obtained from pulverised samples. This is due to ill-defined production procedures. The use of mathematically pretreated spectra improves the prediction quality of all the PLS-1 models studied. It is possible to improve discrimination between MDE and MDMA with the help of a second model based on raw spectra. Alternative strategies are briefly discussed.

  3. Human Milk Analysis Using Mid-Infrared Spectroscopy.

    Science.gov (United States)

    Groh-Wargo, Sharon; Valentic, Jennifer; Khaira, Sharmeel; Super, Dennis M; Collin, Marc

    2016-04-01

    The composition of human milk is known to vary with length of gestation, stage of lactation, and other factors. Human milk contains all nutrients required for infant health but requires fortification to meet the needs of low-birth-weight infants. Without a known nutrient profile of the mother's milk or donor milk fed to a baby, the composition of the fortified product is only an estimate. Human milk analysis has the potential to improve the nutrition care of high-risk newborns by increasing the information about human milk composition. Equipment to analyze human milk is available, and the technology is rapidly evolving. This pilot study compares mid-infrared (MIR) spectroscopy to reference laboratory milk analysis. After obtaining informed consent, we collected human milk samples from mothers of infants weighing milk obtained by MIR vs reference laboratory analysis. MIR analysis appears to provide an accurate assessment of macronutrient content in expressed human milk from mothers of preterm infants. The small sample size of this study limits confidence in the results. Measurement of lactose is confounded by the presence of oligosaccharides. Human milk analysis is a potentially useful tool for establishing an individualized fortification plan. © 2015 American Society for Parenteral and Enteral Nutrition.

  4. Fully Automated Lipid Pool Detection Using Near Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Elżbieta Pociask

    2016-01-01

    Full Text Available Background. Detecting and identifying vulnerable plaque, which is prone to rupture, is still a challenge for cardiologist. Such lipid core-containing plaque is still not identifiable by everyday angiography, thus triggering the need to develop a new tool where NIRS-IVUS can visualize plaque characterization in terms of its chemical and morphologic characteristic. The new tool can lead to the development of new methods of interpreting the newly obtained data. In this study, the algorithm to fully automated lipid pool detection on NIRS images is proposed. Method. Designed algorithm is divided into four stages: preprocessing (image enhancement, segmentation of artifacts, detection of lipid areas, and calculation of Lipid Core Burden Index. Results. A total of 31 NIRS chemograms were analyzed by two methods. The metrics, total LCBI, maximal LCBI in 4 mm blocks, and maximal LCBI in 2 mm blocks, were calculated to compare presented algorithm with commercial available system. Both intraclass correlation (ICC and Bland-Altman plots showed good agreement and correlation between used methods. Conclusions. Proposed algorithm is fully automated lipid pool detection on near infrared spectroscopy images. It is a tool developed for offline data analysis, which could be easily augmented for newer functions and projects.

  5. Application of mid-infrared tuneable diode laser absorption spectroscopy to plasma diagnostics: a review

    International Nuclear Information System (INIS)

    Roepcke, J; Lombardi, G; Rousseau, A; Davies, P B

    2006-01-01

    Within the last decade mid-infrared absorption spectroscopy over a region from 3 to 17μm and based on tuneable lead salt diode lasers, often called tuneable diode laser absorption spectroscopy or TDLAS, has progressed considerably as a powerful diagnostic technique for in situ studies of the fundamental physics and chemistry in molecular plasmas. The increasing interest in processing plasmas containing hydrocarbons, fluorocarbons, organo-silicon and boron compounds has led to further applications of TDLAS because most of these compounds and their decomposition products are infrared active. TDLAS provides a means of determining the absolute concentrations of the ground states of stable and transient molecular species, which is of particular importance for the investigation of reaction kinetic phenomena. Information about gas temperature and population densities can also be derived from TDLAS measurements. A variety of free radicals and molecular ions have been detected by TDLAS. Since plasmas with molecular feed gases are used in many applications such as thin film deposition, semiconductor processing, surface activation and cleaning, and materials and waste treatment, this has stimulated the adaptation of infrared spectroscopic techniques to industrial requirements. The recent development of quantum cascade lasers (QCLs) offers an attractive new option for the monitoring and control of industrial plasma processes. The aim of the present paper is threefold: (i) to review recent achievements in our understanding of molecular phenomena in plasmas (ii) to report on selected studies of the spectroscopic properties and kinetic behaviour of radicals and (iii) to describe the current status of advanced instrumentation for TDLAS in the mid-infrared

  6. Multi-Wavelength Observations of Asteroid 2100 Ra-Shalom: Visible, Infrared, and Thermal Spectroscopy Results

    Science.gov (United States)

    Clark, Beth Ellen; Shepard, M.; Bus, S. J.; Vilas, F.; Rivkin, A. S.; Lim, L.; Lederer, S.; Jarvis, K.; Shah, S.; McConnochie, T.

    2004-01-01

    The August 2003 apparition of asteroid 2100 Ra-Shalom brought together a collaboration of observers with the goal of obtaining rotationally resolved multiwavelength spectra at each of 5 facilities: infrared spectra at the NASA Infrared Telescope Facility (Clark and Shepard), radar images at Arecibo (Shepard and Clark), thermal infrared spectra at Palomar (Lim, McConnochie and Bell), visible spectra at McDonald Observatory (Vilas, Lederer and Jarvis), and visible lightcurves at Ondrojev Observatory (Pravec). The radar data was to be used to develop a high spatial resolution physical model to be used in conjunction with spectral data to investigate compositional and textural properties on the near surface of Ra Shalom as a function of rotation phase. This was the first coordinated multi-wavelength investigation of any Aten asteroid. There are many reasons to study near-Earth asteroid (NEA) 2100 Ra-Shalom: 1) It has a controversial classification (is it a C- or K-type object)? 2) There would be interesting dynamical ramifications if Ra-Shalom is a K-type because most K-types come from the Eos family and there are no known dynamical pathways from Eos to the Aten population. 3) The best available spectra obtained previously may indicate a heterogeneous surface (most asteroids appear to be fairly homogeneous). 4) Ra-Shalom thermal observations obtained previously indicated a lack of regolith, minimizing the worry of space weathering effects in the spectra. 5) Radar observations obtained previously hinted at interesting surface structures. 6) Ra-Shalom is one of the largest Aten objects. And 7) Ra-Shalom is on a short list of proposed NEAs for spacecraft encounters and possible sample returns. Preliminary results from the visible, infrared, and thermal spectroscopy measurements will be presented here.

  7. Generation of pulsed far-infrared radiation and its application for far-infrared time-resolved spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kondo, Yasuhiro [Tohoku Univ., Sendai (Japan). Faculty of Engineering

    1996-07-01

    So-called time-resolved spectroscopy technique has been used from old time as the means for studying the dynamic optical property, light-induced reaction and so on of matters. As an example, there is the method called pump and probe, and here, the wavelength of this probe light is the problem. If the object energy region is limited to about 0.1 eV, fast time-resolved spectroscopy is feasible relatively easily. However, energy region is extended to low energy region, the light source which is available as the pulsed probe light having sufficient intensity is limited. In this paper, the attempt of time-resolved spectroscopy utilizing coherent radiation, which has ended in failure, and the laser pulse-induced far-infrared radiation which can be utilized as new far-infrared probe light are reported. The reason why far-infrared radiation is used is explained. The attempt of time-resolved spectroscopy using NaCl crystals is reported on the equipment, the method of measuring absorption spectra and the results. Laser pulse-induced far-infrared radiation and the method of generating it are described. The multi-channel detector for far-infrared radiation which was made for trial is shown. (K.I.)

  8. Spectroscopy in catalysis : an introduction

    NARCIS (Netherlands)

    Niemantsverdriet, J.W.

    2000-01-01

    Spectroscopy in Catalysis describes the most important modern analytical techniques used to investigate catalytic surfaces. These include electron spectroscopy (XPS, UPS, AES, EELS), ion spectroscopy (SIMS, SNMS, RBS, LEIS), vibrational spectroscopy (infrared, Raman, EELS), temperature-programmed

  9. Carbon dioxide adsorption on a ZnO(101[combining macron]0) substrate studied by infrared reflection absorption spectroscopy.

    Science.gov (United States)

    Buchholz, Maria; Weidler, Peter G; Bebensee, Fabian; Nefedov, Alexei; Wöll, Christof

    2014-01-28

    The adsorption of carbon dioxide on the mixed-terminated ZnO(101[combining macron]0) surface of a bulk single crystal was studied by UHV Infrared Reflection Absorption Spectroscopy (IRRAS). In contrast to metals, the classic surface selection rule for IRRAS does not apply to bulk oxide crystals, and hence vibrational bands can also be observed for s-polarized light. Although this fact substantially complicates data interpretation, a careful analysis allows for a direct determination of the adsorbate geometry. Here, we demonstrate the huge potential of IR-spectroscopy for investigations on oxide single crystal surfaces by considering all three components of the incident polarized light separately. We find that the tridentate (surface) carbonate is aligned along the [0001] direction. A comparison to data reported previously for CO2 adsorbed on the surfaces of ZnO nanoparticles provides important insight into the role of defects in the surface chemistry of powder particles.

  10. Infrared absorption spectroscopy and chemical kinetics of free radicals

    International Nuclear Information System (INIS)

    Curl, R.F.; Glass, G.P.

    1991-01-01

    A new channel producing ketenyl radical (HCCO) was discovered in the flash photolysis of ketene at 193 nm. H 2 CCO + hν(193 nm) → H + HCCO by observation near 2020 cm -1 of the infrared fundamental of ketenyl corresponding to the antisymmetric motion of the heavy atoms. This band has been partially rotationally analyzed and the rate constant for the reaction of ketenyl with NO has been determined. The OH stretching fundamental of hydroxymethyl radical (CH 2 OH) has been observed near 3600 cm -1 producing the radical either by the excimer flash photolysis of acetol (CH 3 COCH 2 OH) or by Cl atom abstraction of a methyl hydrogen from methanol. The assignment of the spectrum to CH 2 OH was confirmed by the agreement of the rate constant for the reaction of the species with O 2 with the literature value. The mechanism of the reaction of C 2 H with O 2 has been explored. There appear to be two channels producing CO product: a fast, direct one producing highly vibrationally excited CO up to v = 6 at the same rate C 2 H disappears and a slow, indirect one producing primarily ground state CO on a much longer timescale than the disappearance of C 2 H. The rate constants for the reactions of C 2 H with CH 4 , C 2 H 6 , C 2 H 4 , D 2 , and CO were determined by following the time decay of a C 2 H infrared transient absorption line originating from the ground vibronic state using diode laser spectroscopy creating the C 2 H by excimer laser flash photolysis (ArF, 193 nm) of CF 3 CCH. The branching ratio into OH of the reaction between NH 2 , and NO, which is the channel thought to propagate the radical chain of the Thermal deNOx process, has been measured up to 925 degree C. The OH yield thus obtained appears to be too small to maintain the process. 5 refs., 3 figs

  11. Application of Raman Spectroscopy and Infrared Spectroscopy in the Identification of Breast Cancer.

    Science.gov (United States)

    Depciuch, Joanna; Kaznowska, Ewa; Zawlik, Izabela; Wojnarowska, Renata; Cholewa, Marian; Heraud, Philip; Cebulski, Józef

    2016-02-01

    Raman spectroscopy and infrared (IR) spectroscopy are both techniques that allow for the investigation of vibrating chemical particles. These techniques provide information not only about chemical particles through the identification of functional groups and spectral analysis of so-called "fingerprints", these methods allow for the qualitative and quantitative analyses of chemical substances in the sample. Both of these spectral techniques are frequently being used in biology and medicine in diagnosing illnesses and monitoring methods of therapy. The type of breast cancer found in woman is often a malignant tumor, causing 1.38 million new cases of breast cancer and 458 000 deaths in the world in 2013. The most important risk factors for breast cancer development are: sex, age, family history, specific benign breast conditions in the breast, ionizing radiation, and lifestyle. The main purpose of breast cancer screening tests is to establish early diagnostics and to apply proper treatment. Diagnoses of breast cancer are based on: (1) physical techniques (e.g., ultrasonography, mammography, elastography, magnetic resonance, positron emission tomography [PET]); (2) histopathological techniques; (3) biological techniques; and (4) optical techniques (e.g., photo acoustic imaging, fluorescence tomography). However, none of these techniques provides unique or especially revealing answers. The aim of our study is comparative spectroscopic measurements on patients with the following: normal non-cancerous breast tissue; breast cancer tissues before chemotherapy; breast cancer tissues after chemotherapy; and normal breast tissues received around the cancerous breast region. Spectra collected from breast cancer patients shows changes in amounts of carotenoids and fats. We also observed changes in carbohydrate and protein levels (e.g., lack of amino acids, changes in the concentration of amino acids, structural changes) in comparison with normal breast tissues. This fact

  12. The infrared properties of reusable surface insulations.

    Science.gov (United States)

    Schmitt, R. J.; Linford, R. M. F.; Dillow, C. F.; Hughes, T. A.

    1973-01-01

    The total infrared scattering and absorption cross sections of both flexible and rigidized high temperature fibrous insulations have been measured. The methods for accomplishing these measurements are described. Infrared reflection and transmission spectra were obtained to study the dependence of the total cross sections on the spectral characteristics of the transported radiation. These results are applied to steady-state effective thermal conductivity measurements via a four-flux model of radiative heat transfer to separate the radiative component and to calculate the effective thermal conductivity under transient heating conditions. Data for both silica and mullite fibers are presented.

  13. Sum frequency generation for surface vibrational spectroscopy

    International Nuclear Information System (INIS)

    Hunt, J.H.; Guyot-Sionnest, P.; Shen, Y.R.

    1987-01-01

    Surface vibrational spectroscopy is one of the best means for characterizing molecular adsorbates. For this reason, many techniques have been developed in the past. However, most of them suffer from poor sensitivity, low spectral and temporal resolution, and applications limited to vacuum solid interfaces. Recently, the second harmonic generation (SHG) technique was proved repeatedly to be a simple but versatile surface probe. It is highly sensitive and surface specific; it is also capable of achieving high temporal, spatial, and spectral resolution. Being an optical technique, it can be applied to any interface accessible by light. The only serious drawback is its lack of molecular selectivity. An obvious remedy is the extension of the technique to IR-visible sum frequency generation (SFG). Surface vibrational spectroscopy with submonolayer sensitivity is then possible using SFG with the help of a tunable IR laser. The authors report here an SFG measurement of the C-H stretch vibration of monolayers of molecules at air-solid and air-liquid interfaces

  14. Nonlinear optics in germanium mid-infrared fiber material: Detuning oscillations in femtosecond mid-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    M. Ordu

    2017-09-01

    Full Text Available Germanium optical fibers hold great promise in extending semiconductor photonics into the fundamentally important mid-infrared region of the electromagnetic spectrum. The demonstration of nonlinear response in fabricated Ge fiber samples is a key step in the development of mid-infrared fiber materials. Here we report the observation of detuning oscillations in a germanium fiber in the mid-infrared region using femtosecond dispersed pump-probe spectroscopy. Detuning oscillations are observed in the frequency-resolved response when mid-infrared pump and probe pulses are overlapped in a fiber segment. The oscillations arise from the nonlinear frequency resolved nonlinear (χ(3 response in the germanium semiconductor. Our work represents the first observation of coherent oscillations in the emerging field of germanium mid-infrared fiber optics.

  15. Fourier transform infrared spectroscopy for Kona coffee authentication.

    Science.gov (United States)

    Wang, Jun; Jun, Soojin; Bittenbender, H C; Gautz, Loren; Li, Qing X

    2009-06-01

    Kona coffee, the variety of "Kona typica" grown in the north and south districts of Kona-Island, carries a unique stamp of the region of Big Island of Hawaii, U.S.A. The excellent quality of Kona coffee makes it among the best coffee products in the world. Fourier transform infrared (FTIR) spectroscopy integrated with an attenuated total reflectance (ATR) accessory and multivariate analysis was used for qualitative and quantitative analysis of ground and brewed Kona coffee and blends made with Kona coffee. The calibration set of Kona coffee consisted of 10 different blends of Kona-grown original coffee mixture from 14 different farms in Hawaii and a non-Kona-grown original coffee mixture from 3 different sampling sites in Hawaii. Derivative transformations (1st and 2nd), mathematical enhancements such as mean centering and variance scaling, multivariate regressions by partial least square (PLS), and principal components regression (PCR) were implemented to develop and enhance the calibration model. The calibration model was successfully validated using 9 synthetic blend sets of 100% Kona coffee mixture and its adulterant, 100% non-Kona coffee mixture. There were distinct peak variations of ground and brewed coffee blends in the spectral "fingerprint" region between 800 and 1900 cm(-1). The PLS-2nd derivative calibration model based on brewed Kona coffee with mean centering data processing showed the highest degree of accuracy with the lowest standard error of calibration value of 0.81 and the highest R(2) value of 0.999. The model was further validated by quantitative analysis of commercial Kona coffee blends. Results demonstrate that FTIR can be a rapid alternative to authenticate Kona coffee, which only needs very quick and simple sample preparations.

  16. Methanogenic activity tests by Infrared Tunable Diode Laser Absorption Spectroscopy.

    Science.gov (United States)

    Martinez-Cruz, Karla; Sepulveda-Jauregui, Armando; Escobar-Orozco, Nayeli; Thalasso, Frederic

    2012-10-01

    Methanogenic activity (MA) tests are commonly carried out to estimate the capability of anaerobic biomass to treat effluents, to evaluate anaerobic activity in bioreactors or natural ecosystems, or to quantify inhibitory effects on methanogenic activity. These activity tests are usually based on the measurement of the volume of biogas produced by volumetric, pressure increase or gas chromatography (GC) methods. In this study, we present an alternative method for non-invasive measurement of methane produced during activity tests in closed vials, based on Infrared Tunable Diode Laser Absorption Spectroscopy (MA-TDLAS). This new method was tested during model acetoclastic and hydrogenotrophic methanogenic activity tests and was compared to a more traditional method based on gas chromatography. From the results obtained, the CH(4) detection limit of the method was estimated to 60 ppm and the minimum measurable methane production rate was estimated to 1.09(.)10(-3) mg l(-1) h(-1), which is below CH(4) production rate usually reported in both anaerobic reactors and natural ecosystems. Additionally to sensitivity, the method has several potential interests compared to more traditional methods among which short measurements time allowing the measurement of a large number of MA test vials, non-invasive measurements avoiding leakage or external interferences and similar cost to GC based methods. It is concluded that MA-TDLAS is a promising method that could be of interest not only in the field of anaerobic digestion but also, in the field of environmental ecology where CH(4) production rates are usually very low. Copyright © 2012 Elsevier B.V. All rights reserved.

  17. Effect of mechanical optical clearing on near-infrared spectroscopy.

    Science.gov (United States)

    Idelson, Christopher R; Vogt, William C; King-Casas, Brooks; LaConte, Stephen M; Rylander, Christopher G

    2015-08-01

    Near-infrared Spectroscopy (NIRS) is a broadly utilized technology with many emerging applications including clinical diagnostics, sports medicine, and functional neuroimaging, to name a few. For functional brain imaging NIR light is delivered at multiple wavelengths through the scalp and skull to the brain to enable spatial oximetry measurements. Dynamic changes in brain oxygenation are highly correlated with neural stimulation, activation, and function. Unfortunately, NIRS is currently limited by its low spatial resolution, shallow penetration depth, and, perhaps most importantly, signal corruption due to light interactions with superficial non-target tissues such as scalp and skull. In response to these issues, we have combined the non-invasive and rapidly reversible method of mechanical tissue optical clearing (MOC) with a commercially available NIRS system. MOC utilizes a compressive loading force on tissue, causing the lateral displacement of blood and water, while simultaneously thinning the tissue. A MOC-NIRS Breath Hold Test displayed a ∼3.5-fold decrease in the time-averaged standard deviation between channels, consequentially promoting greater channel agreement. A Skin Pinch Test was implemented to negate brain and muscle activity from affecting the recorded signal. These results displayed a 2.5-3.0 fold increase in raw signal amplitude. Existing NIRS instrumentation has been further integrated within a custom helmet device to provide a uniform force distribution across the NIRS sensor array. These results showed a gradual decrease in time-averaged standard deviation among channels with an increase in applied pressure. Through these experiments, and the development of the MOC-NIRS helmet device, MOC appears to provide enhancement of NIRS technology beyond its current limitations. © 2015 Wiley Periodicals, Inc.

  18. Implanted near-infrared spectroscopy for cardiac monitoring

    Science.gov (United States)

    Bhunia, Sourav K.; Cinbis, Can

    2011-02-01

    Implanted Cardioverter Defibrillator (ICD) provides one of the most effective therapies for the prevention of sudden cardiac death, but also delivers some high voltage shocks inappropriately, causing morbidity and mortality. Implanted near-infrared spectroscopy (NIRS) may augment ICD arrhythmia detection by monitoring skeletal muscle perfusion. A two-wavelength, single-distance, continuous-wave implanted NIRS has been evaluated in-vivo. A weighted difference of the changes in attenuation at two wavelengths, across the isobestic point of the hemoglobin spectra, was taken to be the microvascular oxygenation trend indicator (O2 Index). Although the exact weight depends on the local vascular distribution and their oxygen levels, the hypothesis that a constant weight may be adequate for hemodynamic trending during short arrhythmic episodes, was tested. The sensor was implanted subcutaneously both on fresh tissue and inside scar tissue that formed around a pre-existing implant, in 3 animals each. Attenuations were recorded at 660 and 890 nm during normal sinus rhythm (NSR) and induced ventricular fibrillation (VF). The slope of the O2 Index over 10 seconds was computed for 7 NSR and 8 VF episodes in fresh and 13 NSR and 15 VF episodes in scar tissue pockets. The mean O2 Index slope was significantly different (p<0.0001) between NSR and VF rhythms for both the fresh and scar tissue pockets. Therefore implanted NIRS may be useful for preventing inappropriate detection of VF during electromagnetic interference, double counting of ECG T-wave as an R-wave, ICD lead failure, electrocardiographic aberrancy etc.

  19. Photon-Counting Microwave Kinetic Inductance Detectors (MKIDs) for High Resolution Far-Infrared Spectroscopy

    Data.gov (United States)

    National Aeronautics and Space Administration — We are developing ultrasensitive Microwave Kinetic Inductance Detectors (MKIDs) for high resolution far-infrared spectroscopy applications, with a long-term goal of...

  20. ARTIFICIAL NEURAL-NETWORK PREDICTIONS OF URINARY CALCULUS COMPOSITIONS ANALYZED WITH INFRARED-SPECTROSCOPY

    NARCIS (Netherlands)

    VOLMER, M; WOLTHERS, BG; METTING, HJ; DEHAAN, THY; COENEGRACHT, PMJ; VANDERSLIK, W

    Infrared (IR) spectroscopy is used to analyze urinary calculus (renal stone) constituents. However, interpretation of IR spectra for quantifying urinary calculus constituents in mixtures is difficult, requiring expert knowledge by trained technicians. In our laboratory IR spectra of unknown calculi

  1. Photoelectron spectroscopy of surfaces under humid conditions

    International Nuclear Information System (INIS)

    Bluhm, Hendrik

    2010-01-01

    The interaction of water with surfaces plays a major role in many processes in the environment, atmosphere and technology. Weathering of rocks, adhesion between surfaces, and ionic conductance along surfaces are among many phenomena that are governed by the adsorption of molecularly thin water layers under ambient humidities. The properties of these thin water films, in particular their thickness, structure and hydrogen-bonding to the substrate as well as within the water film are up to now not very well understood. Ambient pressure photoelectron spectroscopy (APXPS) is a promising technique for the investigation of the properties of thin water films. In this article we will discuss the basics of APXPS as well as the particular challenges that are posed by investigations in water vapor at Torr pressures. We will also show examples of the application of APXPS to the study of water films on metals and oxides.

  2. Gold micro- and nano-particles for surface enhanced vibrational spectroscopy of pyridostigmine bromide

    DEFF Research Database (Denmark)

    Dolgov, Leonid; Fesenko, Olena; Kavelin, Vladyslav

    2017-01-01

    Triangular gold microprisms and spherical silica nanoparticles with attached gold nano-islands were examined as an active nanostructures for the surface enhanced Raman and infrared spectroscopy. These particles were probed for the detection of pyridostigmine bromide as a safe analog of military c...

  3. Fourier Transform Infrared Spectroscopy as a Tool in Analysis of Proteus mirabilis Endotoxins.

    Science.gov (United States)

    Żarnowiec, Paulina; Czerwonka, Grzegorz; Kaca, Wiesław

    2017-01-01

    Fourier transform infrared spectroscopy (FT-IR) was used to scan whole bacterial cells as well as lipopolysaccharides (LPSs, endotoxins) isolated from them. Proteus mirabilis cells, with chemically defined LPSs, served as a model for the ATR FT-IR method. The paper focuses on three steps of infrared spectroscopy: (1) sample preparation, (2) IR scanning, and (3) multivariate analysis of IR data (principal component analysis, PCA).

  4. Effect of motion artifacts and their correction on near-infrared spectroscopy oscillation data

    DEFF Research Database (Denmark)

    Selb, Juliette; Yücel, Meryem A; Phillip, Dorte

    2015-01-01

    Functional near-infrared spectroscopy is prone to contamination by motion artifacts (MAs). Motion correction algorithms have previously been proposed and their respective performance compared for evoked rain activation studies. We study instead the effect of MAs on "oscillation" data which...... in the frequency band around 0.1 and 0.04 Hz, suggesting a physiological origin for the difference. We emphasize the importance of considering MAs as a confounding factor in oscillation-based functional near-infrared spectroscopy studies....

  5. Second harmonic generation spectroscopy in the Reststrahl band of SiC using an infrared free-electron laser

    Energy Technology Data Exchange (ETDEWEB)

    Paarmann, Alexander, E-mail: alexander.paarmann@fhi-berlin.mpg.de; Razdolski, Ilya; Melnikov, Alexey; Gewinner, Sandy; Schöllkopf, Wieland; Wolf, Martin [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin (Germany)

    2015-08-24

    The Reststrahl spectral region of silicon carbide has recently attracted much attention owing to its potential for mid-infrared nanophotonic applications based on surface phonon polaritons (SPhPs). Studies of optical phonon resonances responsible for surface polariton formation, however, have so far been limited to linear optics. In this Letter, we report the first nonlinear optical investigation of the Reststrahl region of SiC, employing an infrared free-electron laser to perform second harmonic generation (SHG) spectroscopy. We observe two distinct resonance features in the SHG spectra, one attributed to resonant enhancement of the nonlinear susceptibility χ{sup (2)} and the other due to a resonance in the Fresnel transmission. Our work clearly demonstrates high sensitivity of mid-infrared SHG to phonon-driven phenomena and opens a route to studying nonlinear effects in nanophotonic structures based on SPhPs.

  6. Silicon oxide particle formation in RF plasmas investigated by infrared absorption spectroscopy and mass spectrometry

    NARCIS (Netherlands)

    Hollenstein, Ch.; Howling, A.A.; Courteille, C.; Magni, D.; Scholz, S.M.; Kroesen, G.M.W.; Simons, N.; de Zeeuw, W.; Schwarzenbach, W.

    1998-01-01

    In situ Fourier transform infrared absorption spectroscopy has been used to study the composition of particles formed and suspended in radio-frequency discharges of silane - oxygen-argon gas mixtures. The silane gas consumption was observed by infrared absorption. The stoichiometry of the produced

  7. Development of secondary cell wall in cotton fibers as examined with Fourier transform-infrared spectroscopy

    Science.gov (United States)

    Our presentation will focus on continuing efforts to examine secondary cell wall development in cotton fibers using infrared Spectroscopy. Cotton fibers harvested at 18, 20, 24, 28, 32, 36 and 40 days after flowering were examined using attenuated total reflection Fourier transform-infrared (ATR FT-...

  8. Infrared and Raman spectroscopy: principles and spectral interpretation

    National Research Council Canada - National Science Library

    Larkin, Peter

    2011-01-01

    .... The book reviews basic principles, instrumentation, sampling methods, quantitative analysis, origin of group frequencies and qualitative interpretation using generalized Infrared (IR) and Raman spectra...

  9. Discrimination of different red wine by Fourier-transform infrared and two-dimensional infrared correlation spectroscopy

    Science.gov (United States)

    Zhang, Yan-ling; Chen, Jian-bo; Lei, Yu; Zhou, Qun; Sun, Su-qin; Noda, Isao

    2010-06-01

    Fourier-transform infrared spectroscopy (FT-IR) and two-dimensional infrared (2D IR) correlation spectroscopy were applied to analyze main components of liquid red wine with different sugar contents and volatilization residues of dry red wine from different manufactures. The infrared spectra, second derivative spectra of dry red wine show the typical peaks of alcohol, while the spectra of sweet wine are composed of the peaks of both alcohol and sugar, and the contribution of sugar enhanced as the increase of sugar content. Using principal component analysis (PCA) method, dry and sweet wine can be readily classified. Analysis of the infrared spectra of the volatilization residues of dry red wine samples from five different manufactures indicates that dry red wine may be composed of glycerol, carboxylic acids or esters and carboxyl ate, at the same time, different dry red wine show different characteristic peaks in the second derivative spectra and 2D IR correlation spectra, which can be used to discriminate the different manufactures and evaluate the quality of wine samples. The results suggested that infrared spectroscopy is a direct and effective method for the analysis of principle components of different red wines and discrimination of different red wines.

  10. Low temperature hydrogen plasma-assisted atomic layer deposition of copper studied using in situ infrared reflection absorption spectroscopy

    International Nuclear Information System (INIS)

    Chaukulkar, Rohan P.; Rai, Vikrant R.; Agarwal, Sumit; Thissen, Nick F. W.

    2014-01-01

    Atomic layer deposition (ALD) is an ideal technique to deposit ultrathin, conformal, and continuous metal thin films. However, compared to the ALD of binary materials such as metal oxides and metal nitrides, the surface reaction mechanisms during metal ALD are not well understood. In this study, the authors have designed and implemented an in situ reflection-absorption infrared spectroscopy (IRAS) setup to study the surface reactions during the ALD of Cu on Al 2 O 3 using Cu hexafluoroacetylacetonate [Cu(hfac) 2 ] and a remote H 2 plasma. Our infrared data show that complete ligand-exchange reactions occur at a substrate temperature of 80 °C in the absence of surface hydroxyl groups. Based on infrared data and previous studies, the authors propose that Cu(hfac) 2 dissociatively chemisorbs on the Al 2 O 3 surface, where the Al-O-Al bridge acts as the surface reactive site, leading to surface O-Cu-hfac and O-Al-hfac species. Surface saturation during the Cu(hfac) 2 half-cycle occurs through blocking of the available chemisorption sites. In the next half-reaction cycle, H radicals from an H 2 plasma completely remove these surface hfac ligands. Through this study, the authors have demonstrated the capability of in situ IRAS as a tool to study surface reactions during ALD of metals. While transmission and internal reflection infrared spectroscopy are limited to the first few ALD cycles, IRAS can be used to probe all stages of metal ALD starting from initial nucleation to the formation of a continuous film

  11. Photoelectron spectroscopy bulk and surface electronic structures

    CERN Document Server

    Suga, Shigemasa

    2014-01-01

    Photoelectron spectroscopy is now becoming more and more required to investigate electronic structures of various solid materials in the bulk, on surfaces as well as at buried interfaces. The energy resolution was much improved in the last decade down to 1 meV in the low photon energy region. Now this technique is available from a few eV up to 10 keV by use of lasers, electron cyclotron resonance lamps in addition to synchrotron radiation and X-ray tubes. High resolution angle resolved photoelectron spectroscopy (ARPES) is now widely applied to band mapping of materials. It attracts a wide attention from both fundamental science and material engineering. Studies of the dynamics of excited states are feasible by time of flight spectroscopy with fully utilizing the pulse structures of synchrotron radiation as well as lasers including the free electron lasers (FEL). Spin resolved studies also made dramatic progress by using higher efficiency spin detectors and two dimensional spin detectors. Polarization depend...

  12. Dielectric platforms for surface-enhanced spectroscopies (Conference Presentation)

    Science.gov (United States)

    Maier, Stefan A.

    2016-03-01

    Plasmonic nanostructures serve as the main backbone of surface enhanced sensing methodologies, yet the associated optical losses lead to localized heating as well as quenching of molecules, complicating their use for enhancement of fluorescent emission. Additionally, conventional plasmonic materials are limited to operation in the visible part of the spectrum. We will elucidate how nanostructures consisting of conventional and polar dielectrics can be employed as a highly promising alternative platform. Dielectric nanostructures can sustain scattering resonances due to both electric and magnetic Mie modes. We have recently predicted high enhanced local electromagnetic field hot spots in dielectric nanoantenna dimers, with the hallmark of spot sizes comparable to those achievable with plasmonic antennas, but with lower optical losses. Here, we will present first experimental evidence for both fluorescence and Raman enhancement in dielectric nanoantennas, including a direct determination of localized heating, and compare to conventional Au dimer antennas. The second part of the talk will focus on the mid-infrared regime of the electromagnetic spectrum, outlining possibilities for surface enhanced infrared absorption spectroscopy based on polar and hyperbolic dielectrics.

  13. Application of Polarization Modulated Infrared Reflection Absorption Spectroscopy for electrocatalytic activity studies of laccase adsorbed on modified gold electrodes

    International Nuclear Information System (INIS)

    Olejnik, Piotr; Pawłowska, Aleksandra; Pałys, Barbara

    2013-01-01

    Orientation of the enzyme macromolecule on the electrode surface is crucially important for the efficiency of the electron transport between the active site and electrode surface. The orientation can be controlled by affecting the surface charge and the pH of the buffer solution. In this contribution we study laccase physically adsorbed on gold surface modified by mercapto-ethanol, lipid and variously charged diazonium salts. Polarization Modulated Infrared Reflection Absorption Spectroscopy (PMIRRAS) enables the molecular orientation study of the protein molecule by comparison of the amide I to amide II band intensity ratios assuming that the protein secondary structure does not change. We observe significant differences in the intensity ratios depending on the kind of support and the enzyme deposition. The comparison of infrared spectra and cyclic voltammetry responses of variously prepared laccase layers reveals that the parallel orientation of beta-sheet moieties results in high enzyme activity

  14. NEAR-INFRARED SPECTROSCOPY OF POST-AGB STARS

    NARCIS (Netherlands)

    OUDMAIJER, RD; WATERS, LBFM; VANDERVEEN, WECJ; GEBALLE, TR

    The results of a medium resolution near-infrared spectral survey of 18 post-AGB candidate stars are presented. Most of the stars have near-infrared hydrogen lines in absorption, which is normal for their spectral types. Three stars, HD 101584, HD 179821 and HD 170756 have the CO first overtone bands

  15. Photoemission spectroscopy of surfaces and adsorbates

    International Nuclear Information System (INIS)

    Chiang, T.C.; Kaindl, G.; Himpsel, F.J.; Eastman, D.E.

    1982-01-01

    Core level photoelectron spectroscopy is providing new information concerning the electronic properties of adsorbates and surfaces. Several examples will be discussed, including studies of adsorbed rare gas submonolayers and multilayers as well as clean metal surfaces. For rare gas multilayers adsorbed on metal surfaces, the photoelectrons and Auger electrons exhibit well-resolved increases in kinetic energy with decreasing distance between the excited atom and the substrate, allowing a direct labeling of the layers. These energy shifts are mainly due to the substrate screening effects, and can be described well by an image-charge model. For a Kr/Xe bilayer system prepared by first coating a Pd substrate with a monolayer of Kr and then overcoating with a layer of Xe, a thermally activated layer inversion process is observed when the temperature is raised, with Xe coming in direct contact with the substrate. For rare gas submonolayers adsorbed on the Al(111) surface, coverage-dependent core level shift and work function measurements provide information about the adatom spatial distributions, polarizabilities, and dipole moments for the ground and excited states. We have also studied the 2p core level shifts for a clean Al(001) surface relative to the bulk. The shifts have a large contribution from the initial-state effects

  16. Analysis of Chuanxiong Rhizoma and its active components by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy.

    Science.gov (United States)

    Guo, Yizhen; Lv, Beiran; Wang, Jingjuan; Liu, Yang; Sun, Suqin; Xiao, Yao; Lu, Lina; Xiang, Li; Yang, Yanfang; Qu, Lei; Meng, Qinghong

    2016-01-15

    As complicated mixture systems, active components of Chuanxiong Rhizoma are very difficult to identify and discriminate. In this paper, the macroscopic IR fingerprint method including Fourier transform infrared spectroscopy (FT-IR), the second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2DCOS-IR), was applied to study and identify Chuanxiong raw materials and its different segmented production of HPD-100 macroporous resin. Chuanxiong Rhizoma is rich in sucrose. In the FT-IR spectra, water eluate is more similar to sucrose than the powder and the decoction. Their second derivative spectra amplified the differences and revealed the potentially characteristic IR absorption bands and combined with the correlation coefficient, concluding that 50% ethanol eluate had more ligustilide than other eluates. Finally, it can be found from 2DCOS-IR spectra that proteins were extracted by ethanol from Chuanxiong decoction by HPD-100 macroporous resin. It was demonstrated that the above three-step infrared spectroscopy could be applicable for quick, non-destructive and effective analysis and identification of very complicated and similar mixture systems of traditional Chinese medicines. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy

    Science.gov (United States)

    Qu, Lei; Chen, Jian-bo; Zhang, Gui-Jun; Sun, Su-qin; Zheng, Jing

    2017-03-01

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p = 0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

  18. TIME-RESOLVED INFRARED SPECTROSCOPY IN THE U121R BEAMLINE AT THE NSLS

    International Nuclear Information System (INIS)

    CARR, G.L.; LAVEIGNE, J.D.; LOBO, R.P.S.M.; REITZE, D.H.; TANNER, D.B.

    1999-01-01

    A facility for performing time-resolved infrared spectroscopy has been developed at the NSLS, primarily at beamline U12IR. The pulsed IR light from the synchrotron is used to perform pump-probe spectroscopy. The authors present here a description of the facility and results for the relaxation of photoexcitations in both a semiconductor and superconductor

  19. Species authentication and geographical origin discrimination of herbal medicines by near infrared spectroscopy: A review.

    Science.gov (United States)

    Wang, Pei; Yu, Zhiguo

    2015-10-01

    Near infrared (NIR) spectroscopy as a rapid and nondestructive analytical technique, integrated with chemometrics, is a powerful process analytical tool for the pharmaceutical industry and is becoming an attractive complementary technique for herbal medicine analysis. This review mainly focuses on the recent applications of NIR spectroscopy in species authentication of herbal medicines and their geographical origin discrimination.

  20. Far infrared and terahertz spectroscopy of ferroelectric soft modes in thin films: a review

    Czech Academy of Sciences Publication Activity Database

    Petzelt, Jan; Kamba, Stanislav

    2016-01-01

    Roč. 503, č. 1 (2016), s. 19-44 ISSN 0015-0193 R&D Projects: GA ČR GA15-08389S Institutional support: RVO:68378271 Keywords : soft mode * central mode * ferroelectric thin film * terahertz spectroscopy * far-infrared spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.551, year: 2016

  1. Solid state spectroscopy by using of far-infrared synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Nanba, Takao [Kobe Univ. (Japan). Faculty of Science

    1996-07-01

    If the spectroscopic system corresponding to the wavelength region required for experiment is installed, the light source with continuous wavelength is to be obtainable by synchrotron radiation. This report is that of the research on solid state spectroscopy using the ordinary incoherent synchrotron radiation which is obtained from the deflection electromagnet parts of electron storage ring. At present in the world, the facilities which can be utilized in far-infrared spectroscopy region are five, including the UVSOR of Molecular Science Research Institute in Japan. The optical arrangement of the measuring system of the UVSOR is shown. The spectrum distribution of the light passing through the pinholes with different diameter in the place of setting samples was compared in case of the UVSOR and a high pressure mercury lamp, and it was shown that synchrotron radiation has high luminance. The researches on solid state spectroscopy carried out in the above mentioned five facilities are enumerated. In this paper, the high pressure spectroscopic experiment which has been carried out at the UVSOR is reported. The observation of the phase transition of fine particles and the surface phonons of fine particles are described. As fine particle size became smaller, the critical pressure at which phase transition occurred was high. (K.I.)

  2. Recent advances in ion and electron spectroscopy of polymer surfaces

    Science.gov (United States)

    Gardella, Joseph A.

    1988-01-01

    The structure of microdomains and bonding at multicomponent polymer material interfaces has been studied using a variety of surface sensitive spectroscopic techniques. In our laboratory, low energy ion scattering spectroscopy (ISS) and static secondary ion mass spectrometry (SIMS) serve to complement results from angular dependent X-ray photoelectron spectroscopy (XPS or ESCA), Fourier transform infrared (FTIR) with attenuated total reflectance (ATR) sampling and SEM techniques to provide a quantitative picture of the relationships between structure, bonding, morphology and microdomain formation in near surface regions of polymeric systems. The added surface sensitivity of ISS can yield quantitative information at a sampling depth of 3-5 Å, which, with ESCA and FTIR analysis yields a "non-destructive" depth profile of domain formation in copolymer and blend systems. These studies will be illustrated with results from siloxane and siloxane/polycarbonate copolymer systems, where a complete picture of surface domain formation and morphology as a function of composition and polymer crystallinity has been developed. ISS can also yield information regarding the orientation of surface functional groups which ESCA and FTIR do not have either sensitivity and/or sufficient detection limits to analyze. These studies will be illustrated by the analysis of plasma hydrolysis/oxidation of stereoregular poly(methyl-methacrylate). The effects of functional group orientation on reactivity will be explored using results from ISS, ESCA and FTIR for stereoregular (isotatic, syndiotactic) and random (atactic) PMMA. Electron energy loss spectroscopy at high resolution (HREELS) has recently been extended to the examination of polymer and organic surfaces. Vibrational information from this experiment can yield very precise results about surface functional groups (1-20 Å) but at much lower resolution than is typical from IR and Raman techniques. However, the promise of evaluating surface

  3. Infrared studies of gold nanochains on the Si(557) stepped surface

    Energy Technology Data Exchange (ETDEWEB)

    Vu Hoang, Chung; Klevenz, Markus; Lovrincic, Robert; Skibbe, Olaf; Neubrech, Frank; Pucci, Annemarie [Kirchhoff-Institut fuer Physik der Universitaet Heidelberg (Germany)

    2008-07-01

    Gold nanochains on Si(557) will be fabricated under ultra high vacuum conditions. The terraces of the stepped surface serve as one-dimensional diffusion channels, which leads to the formation of parallel monoatomic chains. Due to the appearance of metallic chains an anisotropic change of the conductivity of the substrate surface can be expected. The chain growth process and conductivity dependence versus gold composition will be investigated in-situ by using transmittance infrared spectroscopy (IRS) with light polarized parallel and perpendicular to the chains, respectively. IRS is a well-established method to observe conductivity changes on surfaces. The temperature dependent behaviour of gold chains will be studied as well.

  4. An Overview of the Evolution of Infrared Spectroscopy Applied to Bacterial Typing.

    Science.gov (United States)

    Quintelas, Cristina; Ferreira, Eugénio C; Lopes, João A; Sousa, Clara

    2018-01-01

    The sustained emergence of new declared bacterial species makes typing a continuous challenge for microbiologists. Molecular biology techniques have a very significant role in the context of bacterial typing, but they are often very laborious, time consuming, and eventually fail when dealing with very closely related species. Spectroscopic-based techniques appear in some situations as a viable alternative to molecular methods with advantages in terms of analysis time and cost. Infrared and mass spectrometry are among the most exploited techniques in this context: particularly, infrared spectroscopy emerged as a very promising method with multiple reported successful applications. This article presents a systematic review on infrared spectroscopy applications for bacterial typing, highlighting fundamental aspects of infrared spectroscopy, a detailed literature review (covering different taxonomic levels and bacterial species), advantages, and limitations of the technique over molecular biology methods and a comparison with other competing spectroscopic techniques such as MALDI-TOF MS, Raman, and intrinsic fluorescence. Infrared spectroscopy possesses a high potential for bacterial typing at distinct taxonomic levels and worthy of further developments and systematization. The development of databases appears fundamental toward the establishment of infrared spectroscopy as a viable method for bacterial typing. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Far Infrared spectroscopy of proteinogenic and other less common amino acids

    Science.gov (United States)

    Iglesias-Groth, S.; Cataldo, F.

    2018-05-01

    Far infrared spectroscopy is a powerful tool complementing the potential of mid infrared spectroscopy for the search and identification of organic molecules in space. The far infrared spectra of a total of 29 amino acids are reported in this study. In addition to the spectra of 20 common proteinogenic amino acids, spectra of a selection of 9 non-proteinogenic amino acids are also reported, including the 2-aminoisobutyric acid or α-aminoisobutyric acid which, with glycine, it is one of the most abundant amino acids found in meteorites. The present database of 29 far infrared spectra may serve as reference in the search for amino acids in space environments, given the new apportunities that JWST offers for mid and far IR spectroscopy.

  6. Nondestructive detection of surface flaws in materials by infrared thermography

    International Nuclear Information System (INIS)

    Ishii, Toshimitsu; Ooka, Norikazu; Eto, Motokuni; Hoshiya, Taiji; Okamoto, Yoshizo

    1999-01-01

    Infrared thermography is one of the useful remote sensing techniques applied to the nondestructive detection of surface flaws in materials. Radiation temperatures of the specimen surface and surrounding walls as well as the difference in them are crucial factors to detect surface flaws from thermal images, and it is essential that these factors be properly evaluated beforehand in order to detect the flaws by infrared thermography. In this study, the radiation temperature of nuclear graphite specimens heated uniformly was measured by infrared thermography to evaluate the radiation characteristics such as emissivity, radiosity coefficient and variation of radiation temperature. The influence of the temperature difference between the test specimen and its surroundings on the limit of detection of pinhole flaws was discussed on the basis of the thermal images of graphite specimen with surface flaws. It was found that the thermal image of a small flaw was clearly visible with increase in the temperature difference. (author)

  7. Visualization of light propagation in visible Chinese human head for functional near-infrared spectroscopy

    Science.gov (United States)

    Li, Ting; Gong, Hui; Luo, Qingming

    2011-04-01

    Using the visible Chinese human data set, which faithfully represents human anatomy, we visualize the light propagation in the head in detail based on Monte Carlo simulation. The simulation is verified to agree with published experimental results in terms of a differential path-length factor. The spatial sensitivity profile turns out to seem like a fat tropical fish with strong distortion along the folding cerebral surface. The sensitive brain region covers the gray matter and extends to the superficial white matter, leading to a large penetration depth (>3 cm). Finally, the optimal source-detector separation is suggested to be narrowed down to 3-3.5 cm, while the sensitivity of the detected signal to brain activation reaches the peak of 8%. These results indicate that the cerebral cortex folding geometry actually has substantial effects on light propagation, which should be necessarily considered for applications of functional near-infrared spectroscopy.

  8. Physiological response of Arundo donax to cadmium stress by Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Yu, Shunhui; Sheng, Li; Zhang, Chunyan; Deng, Hongping

    2018-06-05

    The present paper deals with the physiological response of the changes in chemical contents of the root, stem and leaf of Arundo donax seedlings stressed by excess cadmium using Fourier transform infrared spectroscopy technique, cadmium accumulation in plant by atomic absorption spectroscopy were tested after different concentrations cadmium stress. The results showed that low cadmium concentrations (Fourier transform infrared spectroscopy technique for the non-invasive and rapid monitoring of the plants stressed with heavy metals, Arundo donax is suitable for phytoremediation of cadmium -contaminated wetland. Copyright © 2018 Elsevier B.V. All rights reserved.

  9. Physiological response of Arundo donax to cadmium stress by Fourier transform infrared spectroscopy

    Science.gov (United States)

    Yu, Shunhui; Sheng, Li; Zhang, Chunyan; Deng, Hongping

    2018-06-01

    The present paper deals with the physiological response of the changes in chemical contents of the root, stem and leaf of Arundo donax seedlings stressed by excess cadmium using Fourier transform infrared spectroscopy technique, cadmium accumulation in plant by atomic absorption spectroscopy were tested after different concentrations cadmium stress. The results showed that low cadmium concentrations (spectroscopy technique for the non-invasive and rapid monitoring of the plants stressed with heavy metals, Arundo donax is suitable for phytoremediation of cadmium -contaminated wetland.

  10. Two photon processes in surface photovoltage spectroscopy

    International Nuclear Information System (INIS)

    Craig, R.P.; Thurgate, S.M.

    1996-01-01

    Full text: A significant mid-gap effect has been found in Surface Photovoltage Spectroscopy measurements of cleaved GaAs, InP and Si wafer which is normally interpreted as arising from transitions between surface states and band edges. This large mid-gap effect common to various materials is puzzling as such a high proportion of mid-gap states seems unlikely. Most theories of surface states predict states that tail from the band edges into the gap or states that have a well defined energy in the gap. None propose a large state exactly at E G /2. We recently investigated the variation in SPS spectra with flux density. We find a non-linear correlation in the magnitude of Band-Bending arising from mid-gap and band-gap photon energies. We suggest that the mid-gap feature is due to a two photon absorption process leading to carrier pair generation mediated by mid-gap states in the continuum of band-gap surface states

  11. Far-infrared and submillimeter spectroscopy of photodissociation regions

    International Nuclear Information System (INIS)

    Qaiyum, A.

    1993-12-01

    The physical properties of the galactic and extragalactic photodissociation regions, warm gas components molecular clouds are, generally, derived through the far-infrared (FIR) fine structure and submillimeter line emissions arising out of these regions. In the theoretical studies of these lines the model of Tielens and Hollenbach (herein after referred as TH) are usually employed in which all the opacity is assumed local in escape probability formalism and inward directed photons do not escape. These assumptions are contrary to the observational facts, where most of the lines are found optically thin except OI (63 μm) and low rotational transitions of CO and some other molecules. The optically thin medium will allow the radiation to escape through any face of the region. These observational evidences let us to assume finite parallel plane slab, instead of semi-infinite parallel slab, in which the photons are allowed to escape from both surfaces (back and front). In the present study an attempt has been made to incorporate the two sided escape of photons from the PDRs and to study its effect on the FIR and submillimeter line emission from the PDRs/molecular clouds. Further the present formalism is also employed to study the clumpy PDRs/molecular clouds. The preliminary results show that now serious consequences are found on the thermal and chemical structure of the regions but individual line emissions are modified by differing factors. Particularly at low density and low kinetic temperature the change is substantial but at density greater than the critical density of the line and temperature close to the excitation temperature its effect is almost negligible. An attempt has also been made to study the physical conditions of the M17 region employing the present formalism. (author). 49 refs, 8 figs, 1 tab

  12. Far-infrared spectroscopy of thermally annealed tungsten silicide films

    International Nuclear Information System (INIS)

    Amiotti, M.; Borghesi, A.; Guizzetti, G.; Nava, F.; Santoro, G.

    1991-01-01

    The far-infrared transmittance spectrum of tungsten silicide has been observed for the first time. WSi 2 polycrystalline films were prepared by coevaporation and chemical-vapour deposition on silicon wafers, and subsequently thermally annealed at different temperatures. The observed structures are interpreted, on the basis of the symmetry properties of the crystal, such as infrared-active vibrational modes. Moreover, the marked lineshape dependence on annealing temperature enables this technique to analyse the formation of the solid silicide phases

  13. Far-infrared spectroscopy of neutral interstellar clouds

    International Nuclear Information System (INIS)

    Watson, D.M.

    1984-01-01

    A summary is presented of airborne observations of the far-infrared fine structure lines of neutral atomic oxygen and singly-ionized carbon, and of the far-infrared rotational lines of CO, OH, NH 3 and HD, together with a brief description of the analysis and interpretation of the spectra. The 'state of the art' in instrument performance and the prospects for improved sensitivity and resolution are also surveyed. (Auth.)

  14. Comparing predictive ability of laser-induced breakdown spectroscopy to visible near-infrared spectroscopy for soil property determination

    DEFF Research Database (Denmark)

    Knadel, Maria; Gislum, René; Hermansen, Cecilie

    2017-01-01

    Soil organic carbon (SOC) and particle size fractions have a practical value for agronomy and the environment. Thus, alternative techniques to replace the expensive conventional analyses of soil are needed. Visible near-infrared reflectance spectroscopy (viseNIRS) has already shown potential...

  15. Thermal Infrared Emission Spectroscopy of Synthetic Allophane and its Potential Formation on Mars

    Science.gov (United States)

    Rampe, E. B.; Kraft, M. D.; Sharp, T. G.; Golden, D. C.; Ming, Douglas W.

    2010-01-01

    Allophane is a poorly-crystalline, hydrous aluminosilicate with variable Si/Al ratios approx.0.5-1 and a metastable precursor of clay minerals. On Earth, it forms rapidly by aqueous alteration of volcanic glass under neutral to slightly acidic conditions [1]. Based on in situ chemical measurements and the identification of alteration phases [2-4], the Martian surface is interpreted to have been chemically weathered on local to regional scales. Chemical models of altered surfaces detected by the Mars Exploration Rover Spirit in Gusev crater suggest the presence of an allophane-like alteration product [3]. Thermal infrared (TIR) spectroscopy and spectral deconvolution models are primary tools for determining the mineralogy of the Martian surface [5]. Spectral models of data from the Thermal Emission Spectrometer (TES) indicate a global compositional dichotomy, where high latitudes tend to be enriched in a high-silica material [6,7], interpreted as high-silica, K-rich volcanic glass [6,8]. However, later interpretations proposed that the high-silica material may be an alteration product (such as amorphous silica, clay minerals, or allophane) and that high latitude surfaces are chemically weathered [9-11]. A TIR spectral library of pure minerals is available for the public [12], but it does not contain allophane spectra. The identification of allophane on the Martian surface would indicate high water activity at the time of its formation and would help constrain the aqueous alteration environment [13,14]. The addition of allophane to the spectral library is necessary to address the global compositional dichotomy. In this study, we characterize a synthetic allophane by IR spectroscopy, X-ray diffraction (XRD), and transmission electron microscopy (TEM) to create an IR emission spectrum of pure allophane for the Mars science community to use in Martian spectral models.

  16. Ambient pressure photoemission spectroscopy of metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Baikie, Iain D., E-mail: iain@kptechnology.ltd.uk; Grain, Angela C.; Sutherland, James; Law, Jamie

    2014-12-30

    Highlights: • Ambient pressure photoemission spectroscopy of metals. • Rastered photon energy scan overcomes inelastic scattering. • Relationship between photoemission threshold and contact potential difference. - Abstract: We describe a novel photoemission technique utilizing a traditional Kelvin probe as a detector of electrons/atmospheric ions ejected from metallic surfaces (Au, Ag, Cu, Fe, Ni, Ti, Zn, Al) illuminated by a deep ultra-violet (DUV) source under ambient pressure. To surmount the limitation of electron scattering in air the incident photon energy is rastered rather than applying a variable retarding electric field as is used with UPS. This arrangement can be applied in several operational modes: using the DUV source to determine the photoemission threshold (Φ) with 30–50 meV resolution and also the Kelvin probe, under dark conditions, to measure contact potential difference (CPD) between the Kelvin probe tip and the metallic sample with an accuracy of 1–3 meV. We have studied the relationship between the photoelectric threshold and CPD of metal surfaces cleaned in ambient conditions. Inclusion of a second spectroscopic visible source was used to confirm a semiconducting oxide, possibly Cu{sub 2}O, via surface photovoltage measurements with the KP. This dual detection system can be easily extended to controlled gas conditions, relative humidity control and sample heating/cooling.

  17. OBSERVED ASTEROID SURFACE AREA IN THE THERMAL INFRARED

    Energy Technology Data Exchange (ETDEWEB)

    Nugent, C. R. [Infrared Processing and Analysis Center, California Institute of Technology, Pasadena, CA 91125 (United States); Mainzer, A.; Masiero, J.; Bauer, J.; Kramer, E.; Sonnett, S. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Wright, E. L. [Department of Physics and Astronomy, University of California, Los Angeles, CA 90095 (United States); Grav, T. [Planetary Science Institute, Tucson, AZ (United States)

    2017-02-01

    The rapid accumulation of thermal infrared observations and shape models of asteroids has led to increased interest in thermophysical modeling. Most of these infrared observations are unresolved. We consider what fraction of an asteroid’s surface area contributes the bulk of the emitted thermal flux for two model asteroids of different shapes over a range of thermal parameters. The resulting observed surface in the infrared is generally more fragmented than the area observed in visible wavelengths, indicating high sensitivity to shape. For objects with low values of the thermal parameter, small fractions of the surface contribute the majority of thermally emitted flux. Calculating observed areas could enable the production of spatially resolved thermal inertia maps from non-resolved observations of asteroids.

  18. Optical measurement for the concentrations of the pickling acid with near infrared spectroscopy in steel making industry

    Science.gov (United States)

    Kang, Gumin; Lee, Kwangchil; Park, Haesung; Lee, Jinho; Jung, Youngjean; Kim, Kyoungsik

    2010-08-01

    In the manufacturing process of stainless steel, it is essential to pickle the oxide layer of steel surface for high corrosion resistance and fine surface quality. Pickling liquor of stainless steel is commonly composed of mixed hydrofluoric and nitric acid. Real time monitoring of concentrations of each acid is crucial to optimize pickling process. It also reduces cost of production and decreases the generation of waste acid. We used non-contact near infrared spectroscopy technique and rapid analysis method, for the quantification of each acid in an on-line manner. Multivariate calibration such as partial least square regression method is employed for the better prediction results.

  19. New applications of near infrared spectroscopy in the food industry

    Energy Technology Data Exchange (ETDEWEB)

    Groenewald, C.A. (Peter Rassloff Instruments and Services, Norwood, South Africa)

    The near infrared spectroscopic method of analysis was initially developed for rapid analyses of protein in wheat. A brief explanation of the theory and history of near infrared spectroscopic analysis will be given. Research was done on the application of near infrared spectroscopic (NIR) in the food industry. Especially exciting was the breakthrough achieved in applying NIR to determine the dry solid content of bread. Such application could revolutionise the baking industry. Results will also be presented of research done on the application of NIR techniques for the determination of protein and fat in bread based on dry matter; hardness in wheat; absorption and sedimentation in pasta products; and use in process control in snack products manufacture. The limitations that were found in the application of NIR analysis will also be covered. The developments in NIR technology may result in these methods becoming standard practice in many food laboratories.

  20. New applications of near infrared spectroscopy in the food industry

    International Nuclear Information System (INIS)

    Groenewald, C.A.

    1984-01-01

    The near infrared spectroscopic method of analysis was initially developed for rapid analyses of protein in wheat. A brief explanation of the theory and history of near infrared spectroscopic analysis will be given. Research was done on the application of near infrared spectroscopic (NIR) in the food industry. Especially exciting was the breakthrough achieved in applying NIR to determine the dry solid content of bread. Such application could revolutionise the baking industry. Results will also be presented of research done on the application of NIR techniques for the determination of protein and fat in bread based on dry matter; hardness in wheat; absorption and sedimentation in pasta products; and use in process control in snack products manufacture. The limitations that were found in the application of NIR analysis will also be covered. The developments in NIR technology may result in these methods becoming standard practice in many food laboratories

  1. Radiofrequency/infrared double resonance spectroscopy of the HD+ ion

    International Nuclear Information System (INIS)

    Carrington, Alan; McNab, I.R.; Montgomerie, C.A.

    1989-01-01

    We describe a double resonance technique for obtaining radiofrequency spectra of the HD + ion in vibration-rotation levels close to the dissociation limit. Infrared transitions are driven by Doppler tuning an HD + ion beam into resonance with a carbon dioxide infrared laser, and are detected by measuring H + fragment ions produced by electric field dissociation of the upper vibration-rotation level. Radiofrequency transitions between nuclear hyperfine components of the lower vibration-rotation level are then detected through resonant increases in the H + fragment ion current. The high spectroscopic resolution obtained, and the ability to measure magnetic dipole hyperfine transitions, will enable the hyperfine constants to be determined accurately. (author)

  2. Laboratory Reference Spectroscopy of Icy Satellite Candidate Surface Materials (Invited)

    Science.gov (United States)

    Dalton, J. B.; Jamieson, C. S.; Shirley, J. H.; Pitman, K. M.; Kariya, M.; Crandall, P.

    2013-12-01

    The bulk of our knowledge of icy satellite composition continues to be derived from ultraviolet, visible and infrared remote sensing observations. Interpretation of remote sensing observations relies on availability of laboratory reference spectra of candidate surface materials. These are compared directly to observations, or incorporated into models to generate synthetic spectra representing mixtures of the candidate materials. Spectral measurements for the study of icy satellites must be taken under appropriate conditions (cf. Dalton, 2010; also http://mos.seti.org/icyworldspectra.html for a database of compounds) of temperature (typically 50 to 150 K), pressure (from 10-9 to 10-3 Torr), viewing geometry, (i.e., reflectance), and optical depth (must manifest near infrared bands but avoid saturation in the mid-infrared fundamentals). The Planetary Ice Characterization Laboratory (PICL) is being developed at JPL to provide robust reference spectra for icy satellite surface materials. These include sulfate hydrates, hydrated and hydroxylated minerals, and both organic and inorganic volatile ices. Spectral measurements are performed using an Analytical Spectral Devices FR3 portable grating spectrometer from .35 to 2.5 microns, and a Thermo-Nicolet 6500 Fourier-Transform InfraRed (FTIR) spectrometer from 1.25 to 20 microns. These are interfaced with the Basic Extraterrestrial Environment Simulation Testbed (BEEST), a vacuum chamber capable of pressures below 10-9 Torr with a closed loop liquid helium cryostat with custom heating element capable of temperatures from 30-800 Kelvins. To generate optical constants (real and imaginary index of refraction) for use in nonlinear mixing models (i.e., Hapke, 1981 and Shkuratov, 1999), samples are ground and sieved to six different size fractions or deposited at varying rates to provide a range of grain sizes for optical constants calculations based on subtractive Kramers-Kronig combined with Hapke forward modeling (Dalton and

  3. Characteristics of Turbulent Airflow Deduced from Rapid Surface Thermal Fluctuations: An Infrared Surface Anemometer

    Science.gov (United States)

    Aminzadeh, Milad; Breitenstein, Daniel; Or, Dani

    2017-12-01

    The intermittent nature of turbulent airflow interacting with the surface is readily observable in fluctuations of the surface temperature resulting from the thermal imprints of eddies sweeping the surface. Rapid infrared thermography has recently been used to quantify characteristics of the near-surface turbulent airflow interacting with the evaporating surfaces. We aim to extend this technique by using single-point rapid infrared measurements to quantify properties of a turbulent flow, including surface exchange processes, with a view towards the development of an infrared surface anemometer. The parameters for the surface-eddy renewal (α and β ) are inferred from infrared measurements of a single-point on the surface of a heat plate placed in a wind tunnel with prescribed wind speeds and constant mean temperatures of the surface. Thermally-deduced parameters are in agreement with values obtained from standard three-dimensional ultrasonic anemometer measurements close to the plate surface (e.g., α = 3 and β = 1/26 (ms)^{-1} for the infrared, and α = 3 and β = 1/19 (ms)^{-1} for the sonic-anemometer measurements). The infrared-based turbulence parameters provide new insights into the role of surface temperature and buoyancy on the inherent characteristics of interacting eddies. The link between the eddy-spectrum shape parameter α and the infrared window size representing the infrared field of view is investigated. The results resemble the effect of the sampling height above the ground in sonic anemometer measurements, which enables the detection of larger eddies with higher values of α . The physical basis and tests of the proposed method support the potential for remote quantification of the near-surface momentum field, as well as scalar-flux measurements in the immediate vicinity of the surface.

  4. Multiplexed infrared plasmonic surface lattice resonances

    Science.gov (United States)

    Gutha, Rithvik R.; Sadeghi, Seyed M.; Sharp, Christina; Wing, Waylin J.

    2018-01-01

    We demonstrate that arrays of flat gold nanodisks with rectangular lattices can support a tunable hybrid frequency gap formed by the surface lattice resonances in the substrate ((+1, 0)sub) and the superstrate ((-1, 0)sup). For a certain polarization, rotation of the arrays reduces this gap, forming a band crossing (degenerate state) wherein both surface lattice resonances happen around a single wavelength (˜1300 nm). This highlights a situation wherein hybridization of the Rayleigh anomaly with localized surface plasmon resonances with different multipolar natures happens around the same wavelength. We demonstrate that for a different polarization of the incident light the arrays support the formation of a photonic-plasmonic state at about 1650 nm. Our results show that as the projection of the wave vector of the incident light on the planes of the nanodisk arrays increases, within a given wavelength range, the (+1, 0) mode of this state becomes amplified. Under this condition, this mode can undergo a significant blue shift without broadening, while its amplitude increases.

  5. Lanthanum trilactate: Vibrational spectroscopic study - infrared/Raman spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Švecová, M.; Novák, Vít; Bartůněk, V.; Člupek, M.

    2016-01-01

    Roč. 87, Nov (2016), s. 123-128 ISSN 0924-2031 Institutional support: RVO:61388963 Keywords : lanthanum trilactate * tris(2-hydroxypropanoato-O1,O2) * lanthanum tris[2-(hydroxy-kappa O)propanoato-kappa O] * Raman spectra * infrared spectra * DFT Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.740, year: 2016

  6. Applications of infrared photo-acoustic spectroscopy for wood samples

    Science.gov (United States)

    Mon-Lin Kuo; John F. McClelland; Siquan Luo; Po-Liang Chien; R.D. Walker; Chung-Yun Hse

    1988-01-01

    Various infrared (IR) spectroscopic techniques for the analysis of wood samples are briefly discussed. Theories and instrumentation of the newly developed photoacoustic spectroscopic (PAS) technique for measuring absorbance spectra of solids are presented. Some important applications of the PAS technique in wood science research are discussed. The application of the...

  7. In situ observation of surface reactions with synchrotron radiation induced semiconductor processes by infrared reflection absorption spectroscopy using buried metal layer substrates; Umekomi kinzokuso kiban wo mochiita sekigai hansha kyushu supekutoruho ni yoru hoshako reiki handotai process hanno no sonoba kansatsu

    Energy Technology Data Exchange (ETDEWEB)

    Yoshigoe, A.; Hirano, S. [The Graduate University for Advanced Studies, Yokohama (Japan); Mase, K.; Urisu, T. [Institute for Molecular Science, Aichi (Japan)

    1996-11-20

    It is known that infrared reflection absorption spectroscopy (IRAS) on semiconductor or insulator surfaces becomes practicable by using buried metal layer (BML) substrates, in which the metal thin film is buried order semiconductor or insulator films. In this work, IRAS has been measured for Langmuir-Blodgett films deposited on the BML substrate with SiO2/Al/Si(100) structure and the observed spectrum intensity has been quantitatively compared with the calculation assuming the ideal multilayer structure for the BML substrate. The BML-IRAS using CoSi2 has been adopted to the detection of SiHn on the Si (100) substrate during synchrotron radiation (SR) stimulated Si2H6 gas source molecular beam epitaxy. It has been found that SiH2 and SiH3 on the Si (100) surface are easily decomposed by SR, but SiH can`t be decomposed. From these experiments, it has been concluded that the BML-IRAS is an useful in situ observation technique for the photo-stimulated surface reactions. 26 refs., 9 figs.

  8. [Application of Fourier transform attenuated total reflection infrared spectroscopy in analysis of pulp and paper industry].

    Science.gov (United States)

    Zhang, Yong; Cao, Chun-yu; Feng, Wen-ying; Xu, Ming; Su, Zhen-hua; Liu, Xiao-meng; Lü, Wei-jun

    2011-03-01

    As one of the most powerful tools to investigate the compositions of raw materials and the property of pulp and paper, infrared spectroscopy has played an important role in pulp and paper industry. However, the traditional transmission infrared spectroscopy has not met the requirements of the producing processes because of its disadvantages of time consuming and sample destruction. New technique would be needed to be found. Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR) is an advanced spectroscopic tool for nondestructive evaluation and could rapidly, accurately estimate the production properties of each process in pulp and paper industry. The present review describes the application of ATR-FTIR in analysis of pulp and paper industry. The analysis processes will include: pulping, papermaking, environmental protecting, special processing and paper identifying.

  9. Background and state of the art of near infrared spectroscopy in the forest sector base

    International Nuclear Information System (INIS)

    Muñiz, G.I.B. de; Magalhães, W.L.E.; Carneiro, M.E.; Viana, L.C.

    2012-01-01

    The knowledge of wood properties is the fundamental importance for the indication of the potential and use of this material. In the search for new alternatives for a fast, simple and reliable characterization, there are the non-destructive evaluations of wood. The near infrared spectroscopy (NIRS) has been used as a non-destructive method that allows qualitative and quantitative information of the constituents of biomass through the interaction of electromagnetic waves with near-infrared next to the sample. This work aims to provide a review of the technique of near infrared spectroscopy and its application in forestry. The technique is used in virtually all areas due to the level of development that this technology has reached in recent years. NIR spectroscopy has proved a quick and efficient replacement of several tests that determine the quality of the wood. This is a literature review and state of the art on the theme [pt

  10. Analysis of Moisture Content in Beetroot using Fourier Transform Infrared Spectroscopy and by Principal Component Analysis.

    Science.gov (United States)

    Nesakumar, Noel; Baskar, Chanthini; Kesavan, Srinivasan; Rayappan, John Bosco Balaguru; Alwarappan, Subbiah

    2018-05-22

    The moisture content of beetroot varies during long-term cold storage. In this work, we propose a strategy to identify the moisture content and age of beetroot using principal component analysis coupled Fourier transform infrared spectroscopy (FTIR). Frequent FTIR measurements were recorded directly from the beetroot sample surface over a period of 34 days for analysing its moisture content employing attenuated total reflectance in the spectral ranges of 2614-4000 and 1465-1853 cm -1 with a spectral resolution of 8 cm -1 . In order to estimate the transmittance peak height (T p ) and area under the transmittance curve [Formula: see text] over the spectral ranges of 2614-4000 and 1465-1853 cm -1 , Gaussian curve fitting algorithm was performed on FTIR data. Principal component and nonlinear regression analyses were utilized for FTIR data analysis. Score plot over the ranges of 2614-4000 and 1465-1853 cm -1 allowed beetroot quality discrimination. Beetroot quality predictive models were developed by employing biphasic dose response function. Validation experiment results confirmed that the accuracy of the beetroot quality predictive model reached 97.5%. This research work proves that FTIR spectroscopy in combination with principal component analysis and beetroot quality predictive models could serve as an effective tool for discriminating moisture content in fresh, half and completely spoiled stages of beetroot samples and for providing status alerts.

  11. Study on Fracture Healing with Small-Splint-Fixation Therapy by Near-Infrared Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Hao Huang

    2013-01-01

    Full Text Available In this study, near-infrared (NIR Raman spectroscopy was explored to assess the incorporation of calcium hydroxyapatite (CHA ~960 cm−1 and other biochemical substances during the recovery of rabbits with complete radial fractures treated with or without small splints. 24 rabbits were randomy divided into two groups, one treated with small-splint-fixation therapy and the other without any intervention. The rabbits were sacrificed at 7, 15, 23, and 30 days after surgery, and the surface layers of the calluses in the fracture healing site from control and treated groups were routinely prepared for Raman spectroscopy. The prominent Raman bands were observed, including minerals at 430, 590, 960, 1003, and 1071  cm−1, protein at 856, 876, 1246, and 1667 cm−1, and lipid at 1767 cm−1. The carbonate-to-phosphate ratio (CO3 to υ1 PO4 and the mineral-to-matrix ratio (υ1 PO4 to amide I were calculated from these normalized Raman bands. Comparison of the υ1 PO4-to-amide I ratio for the control group with that of the treated group probably indicated that the small-splint-fixation therapy could be useful for the gradual mineralization of the collagen matrix during fracture healing.

  12. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy.

    Science.gov (United States)

    Qu, Lei; Chen, Jian-Bo; Zhang, Gui-Jun; Sun, Su-Qin; Zheng, Jing

    2017-03-05

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p=0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Assessing soil water repellency of a sandy field with visible near infrared spectroscopy

    DEFF Research Database (Denmark)

    Knadel, Maria; Masis Melendez, Federico; de Jonge, Lis Wollesen

    2016-01-01

    . A lower prediction error of the WR model for soils dried at 105°C (1.93 mN m–1) than at 60°C (2.52 mN m–1) can be explained by a lower range of WR values for the soils dried at 105°C. Moreover, a higher temperature reduced the number of absorption bands related to OM, indicating a degradation......Soil water repellency (WR) is a widespread phenomenon caused by aggregated organic matter (OM) and layers of hydrophobic organic substances coating the surface of soil particles. These substances have a very low surface free energy, reducing a soil’s water attraction. There is focus on WR due...... to its effects on germination, root growth, liquid–vapour dynamics, surface erosion and leaching of chemicals through fingered flow paths. However, common techniques for measuring WR are time-consuming and expensive. Meanwhile, it is well established that visible near infrared (vis-NIR) spectroscopy...

  14. Fourier transform infrared spectroscopy of dental unit water line biofilm bacteria

    OpenAIRE

    Liaqat, Iram

    2009-01-01

    Fourier transform-infrared (FT-IR) spectroscopy has become an important tool for rapid analysis of complex biological samples. The infrared absorbance spectrum could be regarded as a “fingerprint” which is a feature of biochemical substances. The FT-IR spectra of fresh and stored dried samples of six bacterial isolates (Klebsiella sp., Bacillus cereus, Bacillus subtilis, Pseudomonas aeruginosa, Achromobacter xylosoxidans and Achromobacter sp.) were observed by variation in sample preparation....

  15. Sea surface temperature mapping using a thermal infrared scanner

    Digital Repository Service at National Institute of Oceanography (India)

    RameshKumar, M.R; Pandya, R; Mathur, K.M.; Charyulu, R; Rao, L.V.G.

    1 metre water column below the sea surface. A thermal infrared scanner developed by the Space Applications Centre (ISRO), Ahmedabad was operated on board R.V. Gaveshani in April/May 1984 for mapping SST over the eastern Arabian Sea. SST values...

  16. Quantative determination of surface temperatures using an infrared camera

    International Nuclear Information System (INIS)

    Hsieh, C.K.; Ellingson, W.A.

    1977-01-01

    A method is presented to determine the surface-temperature distribution at each point in an infrared picture. To handle the surface reflection problem, three cases are considered that include the use of black coatings, radiation shields, and band-pass filters. For uniform irradiation on the test surface, the irradiation can be measured by using a cooled, convex mirror. Equations are derived to show that this surrounding irradiation effect can be subtracted out from the scanned radiation; thus the net radiation is related to only emission from the surface. To provide for temperature measurements over a large field, the image-processing technique is used to digitize the infrared data. The paper spells out procedures that involve the use of a computer for making point-by-point temperature calculations. Finally, a sample case is given to illustrate applications of the method. 6 figures, 1 table

  17. Sensing cocaine in saliva with infrared laser spectroscopy

    Science.gov (United States)

    Hans, Kerstin M.-C.; Müller, Matthias; Gianella, Michele; Wägli, Ph.; Sigrist, Markus W.

    2013-02-01

    Increasing numbers of accidents caused by drivers under the influence of drugs, raise drug tests to worldwide interest. We developed a one-step extraction technique for cocaine in saliva and analyzed reference samples with laser spectroscopy employing two different schemes. The first is based on attenuated total reflection (ATR), which is applied to dried samples. The second scheme uses transmission measurements for the analysis of liquid samples. ATR spectroscopy achieved a limit of detection (LOD) of 3μg/ml. The LOD for the transmission approach in liquid samples is cocaine. An improved stabilization of the set-up should lower the limit of detection significantly.

  18. Chlorococcalean microalgae Ankistrodesmus convolutes biodiesel characterization with Fourier transform-infrared spectroscopy and gas chromatography mass spectroscopy techniques

    Directory of Open Access Journals (Sweden)

    Swati SONAWANE

    2015-12-01

    Full Text Available The Chlorococcalean microalgae Ankistrodesmus convolutes was found in fresh water Godawari reservoir, Ahmednagar district of Maharashtra State, India. Microalgae are modern biomass for the production of liquid biofuel due to its high solar cultivation efficiency. The collection, harvesting and drying processes were play vital role in converting algal biomass into energy liquid fuel. The oil extraction was the important step for the biodiesel synthesis. The fatty acid methyl ester (FAME synthesis was carried through base catalyzed transesterification method. The product was analyzed by using the hyphened techniques like Fourier Transform-Infrared spectroscopy (FT-IR and Gas Chromatography Mass Spectroscopy (GCMS. FT-IR Spectroscopy was results the ester as functional group of obtained product while the Gas Chromatography Mass Spectroscopy was results the six type of fatty acid methyl ester with different concentration. Ankistrodesmus convolutes biodiesel consist of 46.5% saturated and 49.14% unsaturated FAME.

  19. Discrimination of mineral waters using near infrared spectroscopy and aquaphotomics

    Directory of Open Access Journals (Sweden)

    Munćan Jelena S.

    2014-01-01

    Full Text Available Despite that water is one of the most studied materials today its dynamic properties are still not well understood. Water state in human organism is of high importance for normal healthy functioning of human body. Different kinds of water are usually classified according to its present solutes, and concentrations of these solutes, but though it is known that water molecules can form clusters around present solutes, classification of waters based on types of water molecular organization and present clusters is not present in current literature. In this study we used multivariate analysis for classification of commercial mineral waters based on their near infrared spectra (NIR. Further, we applied Aquaphotomics, a new approach for interpretation of near infrared spectra of water, which gives insight into organization of water molecules in each of these waters.

  20. The importance of spectroscopy for infrared multiphoton excitation

    International Nuclear Information System (INIS)

    Fuss, W.; Kompa, K.L.

    1980-07-01

    It is substantiated by examples that the infrared spectra of molecules in high vibrational states are similar in width to those of the ground states. Therefore in order to explain collisionless infrared multiphoton excitation, the existence of resonance has to be checked, not only for the first three steps, but for all of them. That is, their (low resolution) spectra should be studied. This review summarizes the spectroscopic mechanisms contributing to multiphoton excitation, which have been suggested to date, including several kinds of rotational compensation and of vibrational level splitting, which cooperate to overcome the anharmonic shift. The spectral quasicontinuum, generated by intensity borrowing, must neither be very broad nor dense, and collisionless vibrational relaxation is only important at very high energies. Knowledge of relatively few spectroscopic detailes helps to understand many details and many differences in multiphoton excitatio. (orig.)

  1. Dirac charge dynamics in graphene by infrared spectroscopy

    International Nuclear Information System (INIS)

    Martin, Michael C; Li, Z.Q.; Henriksen, E.A.; Jiang, Z.; Hao, Z.; Martin, Michael C; Kim, P.; Stormer, H.L.; Basov, Dimitri N.

    2008-01-01

    A remarkable manifestation of the quantum character of electrons in matter is offered by graphene, a single atomic layer of graphite. Unlike conventional solids where electrons are described with the Schroedinger equation, electronic excitations in graphene are governed by the Dirac hamiltonian. Some of the intriguing electronic properties of graphene, such as massless Dirac quasiparticles with linear energy-momentum dispersion, have been confirmed by recent observations. Here, we report an infrared spectromicroscopy study of charge dynamics in graphene integrated in gated devices. Our measurements verify the expected characteristics of graphene and, owing to the previously unattainable accuracy of infrared experiments, also uncover significant departures of the quasiparticle dynamics from predictions made for Dirac fermions in idealized, free-standing graphene. Several observations reported here indicate the relevance of many-body interactions to the electromagnetic response of graphene

  2. Classification and structural analysis of live and dead salmonella cells using fourier transform infrared (FT-IR) spectroscopy and principle component analysis (PCA)

    Science.gov (United States)

    Fourier Transform Infrared Spectroscopy (FT-IR) was used to detect Salmonella typhimurium and Salmonella enteritidis foodborne bacteria and distinguish between live and dead cells of both serotypes. Bacteria were loaded individually on the ZnSe Attenuated Total Reflection (ATR) crystal surface and s...

  3. THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS

    International Nuclear Information System (INIS)

    Ricca, Alessandra; Bauschlicher, Charles W. Jr.; Allamandola, Louis J.

    2013-01-01

    The mid-infrared spectra of neutral homogeneous polycyclic aromatic hydrocarbon (PAH) clusters have been computed using density functional theory including an empirical correction for dispersion. The C-H out-of-plane bending modes are redshifted for all the clusters considered in this work. The magnitude of the redshift and the peak broadening are dependent on PAH size, shape, and on the PAH arrangement in the cluster

  4. THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS

    Energy Technology Data Exchange (ETDEWEB)

    Ricca, Alessandra [Carl Sagan Center, SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Bauschlicher, Charles W. Jr. [Entry Systems and Technology Division, Mail Stop 230-3, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Allamandola, Louis J., E-mail: Alessandra.Ricca-1@nasa.gov, E-mail: Charles.W.Bauschlicher@nasa.gov [Space Science Division, Mail Stop 245-6, NASA Ames Research Center, Moffett Field, CA 94035 (United States)

    2013-10-10

    The mid-infrared spectra of neutral homogeneous polycyclic aromatic hydrocarbon (PAH) clusters have been computed using density functional theory including an empirical correction for dispersion. The C-H out-of-plane bending modes are redshifted for all the clusters considered in this work. The magnitude of the redshift and the peak broadening are dependent on PAH size, shape, and on the PAH arrangement in the cluster.

  5. Polyisobutenylsuccinimides as detergents and dispersants in fuel: infrared spectroscopy application

    Energy Technology Data Exchange (ETDEWEB)

    Aleman-Vazquez, L.O.; Villagomez-Ibarra, J.R. [Instituto Mexicano del Petrole, San Bartolo Atepehuacan (Mexico). Gerencia de Productos Quimicos

    2001-05-01

    Polyalkenylsuccinimides were synthesized and their dispersancy properties evaluated in an internal combustion engine. The synthesis is based on the reaction of polyisobutene with maleic anhydride as the first step. The polyisobutenylsuccinic anhydride obtained reacts with primary amines in the last step to give polyalkenylsuccinimides. The results of the evaluations showed that some polyisobutenylsuccinimides reduce the deposit formation in the intake system with good efficiency. Infrared spectra of the prepared compounds allowed their identification. 16 refs., 2 tabs.

  6. Infrared Multiple Photon Dissociation Spectroscopy Of Metal Cluster-Adducts

    Science.gov (United States)

    Cox, D. M.; Kaldor, A.; Zakin, M. R.

    1987-01-01

    Recent development of the laser vaporization technique combined with mass-selective detection has made possible new studies of the fundamental chemical and physical properties of unsupported transition metal clusters as a function of the number of constituent atoms. A variety of experimental techniques have been developed in our laboratory to measure ionization threshold energies, magnetic moments, and gas phase reactivity of clusters. However, studies have so far been unable to determine the cluster structure or the chemical state of chemisorbed species on gas phase clusters. The application of infrared multiple photon dissociation IRMPD to obtain the IR absorption properties of metal cluster-adsorbate species in a molecular beam is described here. Specifically using a high power, pulsed CO2 laser as the infrared source, the IRMPD spectrum for methanol chemisorbed on small iron clusters is measured as a function of the number of both iron atoms and methanols in the complex for different methanol isotopes. Both the feasibility and potential utility of IRMPD for characterizing metal cluster-adsorbate interactions are demonstrated. The method is generally applicable to any cluster or cluster-adsorbate system dependent only upon the availability of appropriate high power infrared sources.

  7. Infrared photon-echo spectroscopy of water : The thermalization effects

    NARCIS (Netherlands)

    Pshenichnikov, Maxim S.; Yeremenko, Sergey; Wiersma, Douwe A.; Kobayashi, Takayoshi; Kobayashi, Tetsuro; Nelson, Keith A.; Okada, Tadashi; Silvestri, Sandro De

    2005-01-01

    The larger part of the nonlinear response in IR photon-echo and transient-grating spectroscopy on HDO-D2O mixtures at > 1-ps delays is found to originate from the D2O refractive index modulation due to local volume thermalization.

  8. Diagnosis with near infrared spectroscopy during minimally invasive procedures

    NARCIS (Netherlands)

    R. Nachabé (Rami)

    2012-01-01

    textabstractThe goal of this dissertation is to present the potential of diffuse optical spectroscopy technique to characterize and differentiate types of tissue, including dysplastic and cancerous tissues, when measuring the tissue spectra during a surgical or an interventional procedure under

  9. High resolution mid-infrared spectroscopy based on frequency upconversion

    DEFF Research Database (Denmark)

    Dam, Jeppe Seidelin; Hu, Qi; Tidemand-Lichtenberg, Peter

    2013-01-01

    signals can be analyzed. The obtainable frequency resolution is usually in the nm range where sub nm resolution is preferred in many applications, like gas spectroscopy. In this work we demonstrate how to obtain sub nm resolution when using upconversion. In the presented realization one object point...... high resolution spectral performance by observing emission from hot water vapor in a butane gas burner....

  10. Surface Chemistry and Spectroscopy of Chromium in Inorganic Oxides

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Wachs, I.E.; Schoonheydt, R.A.

    1996-01-01

    Focuses on the surface chemistry and spectroscopy of chromium in inorganic oxides. Characterization of the molecular structures of chromium; Mechanics of hydrogenation-dehydrogenation reactions; Mobility and reactivity on oxidic surfaces.

  11. Comparing predictive ability of Laser-Induced Breakdown Spectroscopy to Near Infrared Spectroscopy for soil texture and organic carbon determination

    DEFF Research Database (Denmark)

    Knadel, Maria; Peng, Yi; Gislum, René

    Soil organic carbon (SOC) and texture have a practical value for agronomy and the environment. Thus, alternative techniques to supplement or substitute for the expensive conventional analysis of soil are developed. Here the feasibility of laser-induced breakdown spectroscopy (LIBS) to determine SOC...... and texture was tested and compared with near infrared spectroscopy (NIRS) technique and traditional laboratory analysis. Calibration models were developed on 50 topsoil samples. For all properties except silt, higher predictive ability of LIBS than NIRS models was obtained. Successful calibrations indicate...... that LIBS can be used as a fast and reliable method for SOC and texture estimation....

  12. 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....

  13. Photoelectron spectroscopy and Auger electron spectroscopy of solids and surfaces

    International Nuclear Information System (INIS)

    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 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

  14. Infrared absorption spectroscopy characterization of liquid-solid interfaces: The case of chiral modification of catalysts

    Science.gov (United States)

    Zaera, Francisco

    2018-03-01

    An overview is provided here of our work on the characterization of chiral modifiers for the bestowing of enantioselectivity to metal-based hydrogenation catalysts, with specific reference to the so-called Orito reaction. We start with a brief discussion of the use of infrared absorption spectroscopy (IR) for the characterization of chemical species at liquid-solid interfaces, describing the options available as well as the information that can be extracted from such experiments and the advantages and disadvantages associated with the technique. We then summarize the main results that we have reported to date from our IR study of the adsorption of cinchona alkaloids and related compounds from solutions onto platinum surfaces. Several observations are highlighted and placed in context in terms of the existing knowledge and their relevance to catalysis. Key conclusions include the uniqueness of the nature of the adsorbed species when in the presence of the solvent (versus when the uptake is done under vacuum, or versus the pure or dissolved molecules), the fact that each modifier adopts unique and distinct adsorption geometries on the surface and that those change with the concentration of the solution in ways that correlate well with the performance of the catalyst, the potential tendency of at least some of these chiral modifiers to bind to the surface primarily via the nitrogen atom of the amine group, not the aromatic ring as it is often assumed, and the observation that the ability of one modifier to dominate the catalytic chemistry in solutions containing mixtures of two or more of those is linked to their capacity for displacing each other from the surface, which in turn is determined by a balance between the strength of their binding to the surface and their solubility in the liquid solvent.

  15. Hybrid classical/quantum simulation for infrared spectroscopy of water

    Science.gov (United States)

    Maekawa, Yuki; Sasaoka, Kenji; Ube, Takuji; Ishiguro, Takashi; Yamamoto, Takahiro

    2018-05-01

    We have developed a hybrid classical/quantum simulation method to calculate the infrared (IR) spectrum of water. The proposed method achieves much higher accuracy than conventional classical molecular dynamics (MD) simulations at a much lower computational cost than ab initio MD simulations. The IR spectrum of water is obtained as an ensemble average of the eigenvalues of the dynamical matrix constructed by ab initio calculations, using the positions of oxygen atoms that constitute water molecules obtained from the classical MD simulation. The calculated IR spectrum is in excellent agreement with the experimental IR spectrum.

  16. Infrared and NIR Raman spectroscopy in medical microbiology

    Science.gov (United States)

    Naumann, Dieter

    1998-04-01

    FTIR and FT-NIR Raman spectra of intact microbial cells are highly specific, fingerprint-like signatures which can be used to (i) discriminate between diverse microbial species and strains, (ii) detect in situ intracellular components or structures such as inclusion bodies, storage materials or endospores, (iii) detect and quantify metabolically released CO2 in response to various different substrate, and (iv) characterize growth-dependent phenomena and cell-drug interactions. The characteristic information is extracted from the spectral contours by applying resolution enhancement techniques, difference spectroscopy, and pattern recognition methods such as factor-, cluster-, linear discriminant analysis, and artificial neural networks. Particularly interesting applications arise by means of a light microscope coupled to the spectrometer. FTIR spectra of micro-colonies containing less than 103 cells can be obtained from colony replica by a stamping technique that transfers micro-colonies growing on culture plates to a special IR-sample holder. Using a computer controlled x, y- stage together with mapping and video techniques, the fundamental tasks of microbiological analysis, namely detection, enumeration, and differentiation of micro- organisms can be integrated in one single apparatus. FTIR and NIR-FT-Raman spectroscopy can also be used in tandem to characterize medically important microorganisms. Currently novel methodologies are tested to take advantage of the complementary information of IR and Raman spectra. Representative examples on medically important microorganisms will be given that highlight the new possibilities of vibrational spectroscopies.

  17. Study on Angelica and its different extracts by Fourier transform infrared spectroscopy and two-dimensional correlation IR spectroscopy

    Science.gov (United States)

    Liu, Hong-xia; Sun, Su-qin; Lv, Guang-hua; Chan, Kelvin K. C.

    2006-05-01

    In order to develop a rapid and effective analysis method for studying integrally the main constituents in the medicinal materials and their extracts, discriminating the extracts from different extraction process, comparing the categories of chemical constituents in the different extracts and monitoring the qualities of medicinal materials, we applied Fourier transform infrared spectroscopy (FT-IR) associated with second derivative infrared spectroscopy and two-dimensional correlation infrared spectroscopy (2D-IR) to study the main constituents in traditional Chinese medicine Angelica and its different extracts (extracted by petroleum ether, ethanol and water in turn). The findings indicated that FT-IR spectrum can provide many holistic variation rules of chemical constituents. Use of the macroscopical fingerprint characters of FT-IR and 2D-IR spectrum can not only identify the main chemical constituents in medicinal materials and their different extracts, but also compare the components differences among the similar samples. This analytical method is highly rapid, effective, visual and accurate for pharmaceutical research.

  18. Nanometrology using localized surface plasmon resonance spectroscopy

    DEFF Research Database (Denmark)

    Jeppesen, Claus; Lindstedt, Daniel N.; Laurberg, Asger V.

    2013-01-01

    in a transmission spectrum and it is very sensitive to the constituent materials as well as both lateral and vertical dimensions of the structures. This makes LSPR spectroscopy interesting for a number of applications including nanometrology. Like scatterometry, LSPR spectroscopy requires test structures...... and computer simulations to establish the correlation between spectra and physical dimensions. Instead of measuring on individual structures like CD-SEM and AFM, LSPR spectroscopy measures on an array of test structures with an arbitrary array size. This makes LSPR spectroscopy particularly interesting...... for dense device layers where the vacant space for test structures is limited.In this work, LSPR spectroscopy is used to evaluate a fabrication process including imprinting, etching and metallisation of gammadion test structures distributed on a 4” wafer....

  19. Infrared spectroscopy of physisorbed and chemisorbed N-2 in the Pt(111)(3x3)N-2 structure

    DEFF Research Database (Denmark)

    Gustafsson, K.; Karlberg, Gustav; Andersson, Sven

    2007-01-01

    Using infrared spectroscopy and low electron energy diffraction, we have investigated the adsorption of N-2, at 30 K, on the Pt(111) and the Pt(111)(1x1)H surfaces. At monolayer coverage, N-2 orders in commensurate (3x3) structures on both surfaces, and we propose that the unit cells contain four...... molecules in each case. The infrared spectra reveal that N-2 exclusively physisorbs on the Pt(111)(1x1)H surface, while both physisorbed and chemisorbed N-2 is detected on the Pt(111) surface. Physisorbed N-2 is the majority species in the latter case, and the two adsorption states show an almost identical...... uptake behavior, which indicates that they are intrinsic constituents of the growing (3x3) N-2 islands. An analysis of the infrared absorbance data, based on a simple scaling concept suggested by density functional theory calculations, supports a model in which the (3x3) unit cell contains one...

  20. Kinetic inductance detectors for far-infrared spectroscopy

    International Nuclear Information System (INIS)

    Barlis, A.; Aguirre, J.; Stevenson, T.

    2016-01-01

    The star formation mechanisms at work in the early universe remain one of the major unsolved problems of modern astrophysics. Many of the luminous galaxies present during the period of peak star formation (at redshift of about 2.5) were heavily enshrouded in dust, which makes observing their properties difficult at optical wavelengths. However, many spectral lines exist at far-infrared wavelengths that serve as tracers of star formation. Here, we describe a detector system suitable for a balloon-borne spectroscopic intensity mapping experiment at far-infrared wavelengths. The system uses lumped-element kinetic inductance detectors (KIDs), which have the potential to achieve high sensitivity and low noise levels. KIDs consist of separate capacitive and inductive elements, and use the inductive element as the radiation absorber. We describe the design considerations, fabrication process, and readout scheme for a prototype LEKID array of 1600 pixels. - Highlights: • We describe a concept for a balloon-borne telescope for far-IR wavelengths. • Telescope would use high-sensitivity kinetic inductance detectors. • Design considerations and fabrication process for prototype detectors.

  1. Kinetic inductance detectors for far-infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Barlis, A., E-mail: abarlis@physics.upenn.edu [University of Pennsylvania Department of Physics and Astronomy, Philadelphia, Pennsylvania (United States); Aguirre, J. [University of Pennsylvania Department of Physics and Astronomy, Philadelphia, Pennsylvania (United States); Stevenson, T. [NASA Goddard Space Flight Center, Greenbelt, Maryland (United States)

    2016-07-11

    The star formation mechanisms at work in the early universe remain one of the major unsolved problems of modern astrophysics. Many of the luminous galaxies present during the period of peak star formation (at redshift of about 2.5) were heavily enshrouded in dust, which makes observing their properties difficult at optical wavelengths. However, many spectral lines exist at far-infrared wavelengths that serve as tracers of star formation. Here, we describe a detector system suitable for a balloon-borne spectroscopic intensity mapping experiment at far-infrared wavelengths. The system uses lumped-element kinetic inductance detectors (KIDs), which have the potential to achieve high sensitivity and low noise levels. KIDs consist of separate capacitive and inductive elements, and use the inductive element as the radiation absorber. We describe the design considerations, fabrication process, and readout scheme for a prototype LEKID array of 1600 pixels. - Highlights: • We describe a concept for a balloon-borne telescope for far-IR wavelengths. • Telescope would use high-sensitivity kinetic inductance detectors. • Design considerations and fabrication process for prototype detectors.

  2. Muscle metabolism from near infrared spectroscopy during rhythmic handgrip in humans

    DEFF Research Database (Denmark)

    Boushel, Robert Christopher; Pott, F; Madsen, P

    1998-01-01

    The rate of metabolism in forearm flexor muscles (MO2) was derived from near-infrared spectroscopy (NIRS-O2) during ischaemia at rest rhythmic handgrip at 15% and 30% of maximal voluntary contraction (MVC), post-exercise muscle ischaemia (PEMI), and recovery in seven subjects. The MO2 was compared...

  3. PARTICULATE MATTER MEASUREMENTS USING OPEN-PATH FOURIER TRANSFORM INFRARED SPECTROSCOPY

    Science.gov (United States)

    Open-path Fourier transform infrared (OP-FT1R) spectroscopy is an accepted technology for measuring gaseous air contaminants. OP-FT1R absorbance spectra acquired during changing aerosols conditions reveal related changes in very broad baseline features. Usually, this shearing of ...

  4. Potential use of visible and near-infrared spectroscopy for pine ...

    African Journals Online (AJOL)

    The correct identification of pine species is necessary for proper application of wood in forest-based industries, since the quality of each species' wood depends on factors intrinsic to the material. The aim of this study was to evaluate the potential use of near-infrared and visible spectroscopy in the discrimination of pine ...

  5. Evaluation of portable near-infrared spectroscopy for organic milk authentication

    NARCIS (Netherlands)

    Liu, Ningjing; Parra, Hector Aya; Pustjens, Annemieke; Hettinga, Kasper; Mongondry, Philippe; Ruth, van Saskia M.

    2018-01-01

    Organic products are vulnerable to fraud due to their premium price. Analytical methodology helps to manage the risk of fraud and due to the miniaturization of equipment, tests may nowadays even be rapidly applied on-site. The current study aimed to evaluate portable near infrared spectroscopy

  6. Is near-infrared spectroscopy clinically useful in the preterm infant?

    DEFF Research Database (Denmark)

    da Costa, Cristine Sortica; Greisen, Gorm; Austin, Topun

    2015-01-01

    Near-infrared spectroscopy (NIRS) has been used to study cerebral haemodynamics and oxygenation in the preterm infant for many years, but its use as a clinical tool has remained elusive. This has partly been due to the challenges of providing a continuous quantitative measurement that is valid an...

  7. Infrared multiple photon dissociation spectroscopy of sodium and potassium chlorate anions

    NARCIS (Netherlands)

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

    2010-01-01

    The structures of gas-phase, metal chlorate anions with the formula [M(ClO3)(2)](-), M = Na and K, were determined using tandem mass spectrometry and infrared multiple photon dissociation (IRMPD) spectroscopy. Structural assignments for both anions are based on comparisons of the experimental

  8. Investigation of vegetation history of buried chernozem soils using near-infrared spectroscopy (NIRS)

    Czech Academy of Sciences Publication Activity Database

    Vysloužilová, B.; Ertlen, D.; Šefrna, L.; Novák, T.; Virágh, K.; Rué, M.; Campaner, A.; Dreslerová, Dagmar; Schwartz, D.

    2015-01-01

    Roč. 365, 16 April (2015), s. 203-211 ISSN 1040-6182 Institutional support: RVO:67985912 Keywords : Holocene * paleopedology * paleoecology * near-infrared spectroscopy * chernozem * buried paleosol Subject RIV: DF - Soil Science Impact factor: 2.067, year: 2015

  9. Limitations and potential of spectral subtractions in fourier-transform infrared (FTIR) spectroscopy of soil samples

    Science.gov (United States)

    Soil science research is increasingly applying Fourier transform infrared (FTIR) spectroscopy for analysis of soil organic matter (SOM). However, the compositional complexity of soils and the dominance of the mineral component can limit spectroscopic resolution of SOM and other minor components. The...

  10. Predicting the ethanol potential of wheat straw using near-infrared spectroscopy and chemometrics

    DEFF Research Database (Denmark)

    Rinnan, Åsmund; Bruun, Sander; Lindedam, Jane

    2017-01-01

    of using near-infrared spectroscopy to evaluate the ethanol potential of wheat straw by analyzing more than 1000 samples from different wheat varieties and growth conditions. During the calibration model development, the prime emphasis was to investigate the correlation structure between the two major...

  11. Fast determination of the resin and rubber content in Parthenium argentatum biomass using near infrared spectroscopy

    NARCIS (Netherlands)

    Suchat, S.; Pioch, D.; Palu, S.; Tardan, E.; Loo, van E.N.; Davrieux, F.

    2013-01-01

    Guayule (Parthenium argentatum), a plant native of semi-arid regions of northern Mexico and southern Texas, United States, is an under-used source of hypoallergenic latex, a solution to the serious latex allergy IgE problem worldwide. This study aimed to develop near infrared spectroscopy (NIRS)

  12. Review of multidimensional data processing approaches for Raman and infrared spectroscopy

    NARCIS (Netherlands)

    Gautam, R.; Vanga, S.; Ariese, F.

    2015-01-01

    Raman and Infrared (IR) spectroscopies provide information about the structure, functional groups and environment of the molecules in the sample. In combination with a microscope, these techniques can also be used to study molecular distributions in heterogeneous samples. Over the past few decades

  13. Mid-infrared Spectroscopy/Bioimaging: Moving toward MIR optical biopsy

    DEFF Research Database (Denmark)

    Seddon, Angela B.; Napier, Bruce; Lindsay, Ian

    2016-01-01

    ), with its ability to enable in vivo medical diagnosis, is particularly interesting. In fact, the European Commission provides support for a major effort to develop the technology through its Framework Seven (FP7) project called MINERVA (MId- to-NEaR- infrared spectroscopy for improVed medical diAgnostics)....

  14. New enhanced sensitivity infrared laser spectroscopy techniques applied to reactive plasmas and trace gas detection

    NARCIS (Netherlands)

    Welzel, S.

    2009-01-01

    Infrared laser absorption spectroscopy (IRLAS) employing both tuneable diode and quantum cascade lasers (TDLs, QCLs) has been applied with both high sensitivity and high time resolution to plasma diagnostics and trace gas measurements. TDLAS combined with a conventional White type multiple pass cell

  15. Polyaniline: The infrared spectroscopy of conducting polymer nanotubes (IUPAC Technical Report)

    Czech Academy of Sciences Publication Activity Database

    Trchová, Miroslava; Stejskal, Jaroslav

    2011-01-01

    Roč. 83, č. 10 (2011), s. 1803-1817 ISSN 0033-4545 R&D Projects: GA MŠk LA09028 Institutional research plan: CEZ:AV0Z40500505 Keywords : aniline oligomers * fourier transform infrared (FTIR) spectroscopy * IUPAC Polymer Division Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.789, year: 2011

  16. Screening suspected counterfeit Viagra and imitations of Viagra with near-infrared spectroscopy.

    NARCIS (Netherlands)

    Vredenbregt, M J; Blok-Tip, L; Hoogerbrugge, Ronald; Barends, D M; Kaste, D de

    2006-01-01

    We describe a near-infrared spectroscopy (NIRS) method for fast-screening Viagra tablets, counterfeit Viagra tablets, and imitations of Viagra. The method can (1) check the homogeneity of a batch; (2) distinguish counterfeits and imitations from authentic Viagra; (3) screen for the presence of

  17. On the oxidation mechanism of microcrystalline silicon thin films studied by Fourier transform infrared spectroscopy

    NARCIS (Netherlands)

    Bronneberg, A. C.; Smets, A. H. M.; Creatore, M.; M. C. M. van de Sanden,

    2011-01-01

    Insight into the oxidation mechanism of microcrystalline silicon thin films has been obtained by means of Fourier transform infrared spectroscopy. The films were deposited by using the expanding thermal plasma and their oxidation upon air exposure was followed in time. Transmission spectra were

  18. Advances in near-infrared spectroscopy to study the brain of the preterm and term neonate

    DEFF Research Database (Denmark)

    Wolf, Martin; Greisen, Gorm

    2009-01-01

    This article reviews tissue oximetry and imaging to study the preterm and newborn infant brain by near-infrared spectroscopy. These two technologies are now advanced; nearly 100 reports on their use in newborn infants have been published, and commercial instruments are available. The precision...

  19. Nondestructive detection of zebra chip disease in potatoes using near-infrared spectroscopy

    Science.gov (United States)

    Near-Infrared (NIR) spectroscopy in the wavelength region from 900 nm to 2600 nm was evaluated as the basis for a rapid, non-destructive method for the detection of Zebra Chip disease in potatoes and the measurement of sugar concentrations in affected tubers. Using stepwise regression in conjunction...

  20. Cerebral hemodynamics measured with simultaneous PET and near-infrared spectroscopy in humans

    DEFF Research Database (Denmark)

    Rostrup, Egill; Law, Ian; Pott, Frank

    2002-01-01

    Near-infrared spectroscopy (NIRS) enables continuous non-invasive quantification of blood and tissue oxygenation, and may be useful for quantification of cerebral blood volume (CBV) changes. In this study, changes in cerebral oxy- and deoxyhemoglobin were compared to corresponding changes in CBF ...

  1. Online analysis of wood pellets. Quality parameters by near infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Petersen Julius, Lars; Joergensen, Pia [Dong Energy Power, Fredericia (Denmark); Plejdrup Houmoeller, Lars [Arla Foods amba, Global Ingedients R and D, Videbaek (Denmark); Groenkaer Pedersen, Joan [Academy Engineer Chemistry Fertin Pharma, Vejle (Denmark); Anov, Dan

    2010-07-01

    A near infrared spectroscopy system was installed online in a wood pellet production facility. The objective was to translate real time spectra to useful chemical information, like calorific value, water- and ash content. It was possible to successfully determine water content and calorific value, whereas ash content proved troublesome. (orig.)

  2. Moessbauer spectroscopy, X-ray diffraction and infrared studies of prehistoric materials from Minas Gerais

    International Nuclear Information System (INIS)

    Jesus Filho, M.F. de; Costa, G.M. da; Prous, A.

    1988-01-01

    Eight samples of pigmented materials from an archaelogical site in Santana do Riacho (Minas Gerais, Brazil) were studied by X-ray diffraction, infrared and Moessbauer spectroscopy. These three techniques and the results of chemical analysis allowed the approximated composition of each sample to be proposed. No trace of organic material was found in any sample. (author)

  3. Application of near-infrared spectroscopy to preservative-treated wood

    Science.gov (United States)

    Chi-Leung So; Stan T. Lebow; Thomas L. Eberhardt; Leslie H. Groom; Todd F. Shupe

    2009-01-01

    Near infrared (NIR) spectroscopy is now a widely-used technique in the field of forest products, especially for physical and mechanical property determinations. This technique is also ideal for the chemical analysis of wood. There has been a growing need to find a rapid, inexpensive and reliable method to distinguish between preservative-treated and untreated waste...

  4. Near-infrared spectroscopy determined cerebral oxygenation with eliminated skin blood flow in young males

    DEFF Research Database (Denmark)

    Hirasawa, Ai; Kaneko, Takahito; Tanaka, Naoki

    2016-01-01

    We estimated cerebral oxygenation during handgrip exercise and a cognitive task using an algorithm that eliminates the influence of skin blood flow (SkBF) on the near-infrared spectroscopy (NIRS) signal. The algorithm involves a subtraction method to develop a correction factor for each subject. ...

  5. Intact neurovascular coupling during executive function in migraine without aura: interictal near-infrared spectroscopy study

    DEFF Research Database (Denmark)

    Schytz, H W; Ciftçi, K; Akin, A

    2010-01-01

    An altered neurovascular coupling has been proposed in migraine. We aimed to investigate neurovascular coupling during a mental task interictally in patients with migraine without aura (MO) by near-infrared spectroscopy (NIRS). Twelve migraineurs and 12 healthy controls were included. Using NIRS,...

  6. Near-infrared spectroscopy used to predict soybean seed germination and vigor

    Science.gov (United States)

    The potential of using near-infrared (NIR) spectroscopy for differentiating levels in germination, vigor, and electrical conductivity of soybean seeds was investigated. For the 243 spectral data collected using the Perten DA7200, stratified sampling was used to obtain three calibration sets consisti...

  7. Measurement of soy contents in ground beef using near-infrared spectroscopy

    Science.gov (United States)

    Models for determining contents of soy products in ground beef were developed using near-infrared (NIR) spectroscopy. Samples were prepared by mixing four kinds of soybean protein products (Arconet, toasted soy grits, Profam and textured vegetable protein (TVP)) with ground beef (content from 0%–100...

  8. Regional calibration models for predicting loblolly pine tracheid properties using near-infrared spectroscopy

    Science.gov (United States)

    Mohamad Nabavi; Joseph Dahlen; Laurence Schimleck; Thomas L. Eberhardt; Cristian Montes

    2018-01-01

    This study developed regional calibration models for the prediction of loblolly pine (Pinus taeda) tracheid properties using near-infrared (NIR) spectroscopy. A total of 1842 pith-to-bark radial strips, aged 19–31 years, were acquired from 268 trees from 109 stands across the southeastern USA. Diffuse reflectance NIR spectra were collected at 10-mm...

  9. Study of cancer cell lines with Fourier transform infrared (FTIR)/vibrational absorption (VA) spectroscopy

    DEFF Research Database (Denmark)

    Uceda Otero, E. P.; Eliel, G. S. N.; Fonseca, E. J. S.

    2013-01-01

    In this work we have used Fourier transform infrared (FTIR) / vibrational absorption (VA) spectroscopy to study two cancer cell lines: the Henrietta Lacks (HeLa) human cervix carcinoma and 5637 human bladder carcinoma cell lines. Our goal is to experimentally investigate biochemical changes...

  10. Near infrared spectroscopy (NIRS) to monitor tissue haemoglobin (and myoglobin) oxygenation

    NARCIS (Netherlands)

    Scheeren, T. W. L.

    2010-01-01

    Introduction: Tissue oxygenation may be monitored noninvasively by near infrared spectroscopy (NIRS) both on the thenar eminescence (muscle) and on the forehead (brain). Thenar measurement have been used to guide therapy in trauma patients ( 1 ) and to determine the prognosis of septic patients ( 2

  11. Characterisation of structure-dependent functional properties of lignin with infrared spectroscopy

    NARCIS (Netherlands)

    Boeriu, C.G.; Bravo, D.; Gosselink, R.J.A.; Dam, van J.E.G.

    2004-01-01

    Fourier-transformed infrared spectroscopy (FT-IR) was evaluated as an analytical technique for the estimation of the chemical composition and functional properties of lignin. A sample set containing various non-wood, hardwood and softwood lignins isolated by different processing technologies was

  12. The use of near infrared spectroscopy (NIRS) to predict the chemical ...

    African Journals Online (AJOL)

    resias

    Keywords: NIRS, ostrich TMR, chemical composition, nutritive value ... For adequate feeding of livestock, farmers need information about the nutritive value of available .... presented a SD/SECV ratio value of less than three, which is regarded as fair, .... The current and future role of near infrared reflectance spectroscopy in.

  13. 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...

  14. Near-infrared spectroscopy can reveal increases in brain activity related to animal-assisted therapy.

    Science.gov (United States)

    Morita, Yuka; Ebara, Fumio; Morita, Yoshimitsu; Horikawa, Etsuo

    2017-08-01

    [Purpose] Previous studies have indicated that animal-assisted therapy can promote recovery of psychological, social, and physiological function in mental disorders. This study was designed as a pilot evaluation of the use of near-infrared spectroscopy to objectively identify changes in brain activity that could mediate the effect of animal-assisted therapy. [Subjects and Methods] The participants were 20 healthy students (10 males and 10 females; age 19-21 years) of the Faculty of Agriculture, Saga University. Participants were shown a picture of a Tokara goat or shack (control) while prefrontal cortical oxygenated haemoglobin levels (representing neural activity) were measured by near-infrared spectroscopy. [Results] The prefrontal cortical near-infrared spectroscopy signal was significantly higher during viewing of the animal picture than during a rest condition or during viewing of the control picture. [Conclusion] Our results suggest that near-infrared spectroscopy can be used to objectively identify brain activity changes during human mentation regarding animals; furthermore, these preliminary results suggest the efficacy of animal-assisted therapy could be related to increased activation of the prefrontal cortex.

  15. 7 CFR 801.7 - Reference methods and tolerances for near-infrared spectroscopy (NIRS) analyzers.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 7 2010-01-01 2010-01-01 false Reference methods and tolerances for near-infrared spectroscopy (NIRS) analyzers. 801.7 Section 801.7 Agriculture Regulations of the Department of Agriculture...), DEPARTMENT OF AGRICULTURE OFFICIAL PERFORMANCE REQUIREMENTS FOR GRAIN INSPECTION EQUIPMENT § 801.7 Reference...

  16. Cerebral near infrared spectroscopy oximetry in extremely preterm infants : Phase II randomised clinical trial

    NARCIS (Netherlands)

    Hyttel-Sorensen, Simon; Pellicer, Adelina; Alderliesten, Thomas; Austin, Topun; Van Bel, Frank; Benders, Manon; Claris, Olivier; Dempsey, Eugene; Franz, Axel R.; Fumagalli, Monica; Gluud, Christian; Grevstad, Berit; Hagmann, Cornelia; Lemmers, Petra; Van Oeveren, Wim; Pichler, Gerhard; Plomgaard, Anne Mette; Riera, Joan; Sanchez, Laura; Winkel, Per; Wolf, Martin; Greisen, Gorm

    2015-01-01

    Objective: To determine if it is possible to stabilise the cerebral oxygenation of extremely preterm infants monitored by cerebral near infrared spectroscopy (NIRS) oximetry. Design: Phase II randomised, single blinded, parallel clinical trial. Setting Eight tertiary neonatal intensive care units in

  17. Surface enhanced Raman spectroscopy on a flat graphene surface

    Science.gov (United States)

    Xu, Weigao; Ling, Xi; Xiao, Jiaqi; Dresselhaus, Mildred S.; Kong, Jing; Xu, Hongxing; Liu, Zhongfan; Zhang, Jin

    2012-01-01

    Surface enhanced Raman spectroscopy (SERS) is an attractive analytical technique, which enables single-molecule sensitive detection and provides its special chemical fingerprints. During the past decades, researchers have made great efforts towards an ideal SERS substrate, mainly including pioneering works on the preparation of uniform metal nanostructure arrays by various nanoassembly and nanotailoring methods, which give better uniformity and reproducibility. Recently, nanoparticles coated with an inert shell were used to make the enhanced Raman signals cleaner. By depositing SERS-active metal nanoislands on an atomically flat graphene layer, here we designed a new kind of SERS substrate referred to as a graphene-mediated SERS (G-SERS) substrate. In the graphene/metal combined structure, the electromagnetic “hot” spots (which is the origin of a huge SERS enhancement) created by the gapped metal nanoislands through the localized surface plasmon resonance effect are supposed to pass through the monolayer graphene, resulting in an atomically flat hot surface for Raman enhancement. Signals from a G-SERS substrate were also demonstrated to have interesting advantages over normal SERS, in terms of cleaner vibrational information free from various metal-molecule interactions and being more stable against photo-induced damage, but with a comparable enhancement factor. Furthermore, we demonstrate the use of a freestanding, transparent and flexible “G-SERS tape” (consisting of a polymer-layer-supported monolayer graphene with sandwiched metal nanoislands) to enable direct, real time and reliable detection of trace amounts of analytes in various systems, which imparts high efficiency and universality of analyses with G-SERS substrates. PMID:22623525

  18. Fourier Transform Infrared Spectroscopy (FTIR) as a Tool for the Identification and Differentiation of Pathogenic Bacteria.

    Science.gov (United States)

    Zarnowiec, Paulina; Lechowicz, Łukasz; Czerwonka, Grzegorz; Kaca, Wiesław

    2015-01-01

    Methods of human bacterial pathogen identification need to be fast, reliable, inexpensive, and time efficient. These requirements may be met by vibrational spectroscopic techniques. The method that is most often used for bacterial detection and identification is Fourier transform infrared spectroscopy (FTIR). It enables biochemical scans of whole bacterial cells or parts thereof at infrared frequencies (4,000-600 cm(-1)). The recorded spectra must be subsequently transformed in order to minimize data variability and to amplify the chemically-based spectral differences in order to facilitate spectra interpretation and analysis. In the next step, the transformed spectra are analyzed by data reduction tools, regression techniques, and classification methods. Chemometric analysis of FTIR spectra is a basic technique for discriminating between bacteria at the genus, species, and clonal levels. Examples of bacterial pathogen identification and methods of differentiation up to the clonal level, based on infrared spectroscopy, are presented below.

  19. Renal geology (quantitative renal stone analysis) by 'Fourier transform infrared spectroscopy'.

    Science.gov (United States)

    Singh, Iqbal

    2008-01-01

    To prospectively determine the precise stone composition (quantitative analysis) by using infrared spectroscopy in patients with urinary stone disease presenting to our clinic. To determine an ideal method for stone analysis suitable for use in a clinical setting. After routine and a detailed metabolic workup of all patients of urolithiasis, stone samples of 50 patients of urolithiasis satisfying the entry criteria were subjected to the Fourier transform infrared spectroscopic analysis after adequate sample homogenization at a single testing center. Calcium oxalate monohydrate and dihydrate stone mixture was most commonly encountered in 35 (71%) followed by calcium phosphate, carbonate apatite, magnesium ammonium hexahydrate and xanthine stones. Fourier transform infrared spectroscopy allows an accurate, reliable quantitative method of stone analysis. It also helps in maintaining a computerized large reference library. Knowledge of precise stone composition may allow the institution of appropriate prophylactic therapy despite the absence of any detectable metabolic abnormalities. This may prevent and or delay stone recurrence.

  20. Applications of Infrared and Raman Spectroscopies to Probiotic Investigation

    Science.gov (United States)

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

    2015-01-01

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

  1. Applications of Infrared and Raman Spectroscopies to Probiotic Investigation

    Directory of Open Access Journals (Sweden)

    Mauricio I. Santos

    2015-07-01

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

  2. Evanescent field infrared spectroscopy using chalcogenide glass fiber

    International Nuclear Information System (INIS)

    Katz Moti

    1992-06-01

    In the last few years a simple and cheap fiber-optics based spectroscopy method was developed for the investigation of liquids, pastes gases and thin layers. The fiber is immersed in the sample, and the investigated material becomes the fiber cladding. the interaction between the guided radiation in the fiber and the specimen is taking place by evanescent field which extends outside the fiber. This work concentrates in the quantitative characterization of the absorption of the evanescent field by the fiber cladding (the specimen). This subject was dealt with only briefly in the earlier works, and the aim of this work is to obtain a comprehensive understanding of this issue. (author)

  3. Far-Infrared Spectroscopy of Weakly Bound Hydrated Cluster Molecules

    DEFF Research Database (Denmark)

    Andersen, Jonas

    The thermodynamic properties of condensed phases, the functionality of many materials and the molecular organization in biological organisms are all governed by the classes of non-covalent interactions that occur already on the microscopic scale between pairs of molecules. A detailed investigation...... of the intermolecular interactions between prototypical molecular assemblies are valuable for accurate descriptions of larger supramolecular systems such as materials, gas hydrates and biological macromolecules. The aim of this PhD dissertation is to investigate intermolecular interactions fora series of medium...... vibrational bands of the cluster molecules in the challenging far-infrared and terahertz spectral regions.A key parameter in the validation of the performance of theoretical predictions for weak non-covalent intermolecular interactions is the dissociation energy D0 that depends heavily on the class of large...

  4. Non-linear calibration models for near infrared spectroscopy

    DEFF Research Database (Denmark)

    Ni, Wangdong; Nørgaard, Lars; Mørup, Morten

    2014-01-01

    by ridge regression (RR). The performance of the different methods is demonstrated by their practical applications using three real-life near infrared (NIR) data sets. Different aspects of the various approaches including computational time, model interpretability, potential over-fitting using the non-linear...... models on linear problems, robustness to small or medium sample sets, and robustness to pre-processing, are discussed. The results suggest that GPR and BANN are powerful and promising methods for handling linear as well as nonlinear systems, even when the data sets are moderately small. The LS......-SVM), relevance vector machines (RVM), Gaussian process regression (GPR), artificial neural network (ANN), and Bayesian ANN (BANN). In this comparison, partial least squares (PLS) regression is used as a linear benchmark, while the relationship of the methods is considered in terms of traditional calibration...

  5. Photoacoustic Fourier Transform Infrared (FTIR) Spectroscopy Of Solids

    Science.gov (United States)

    Vidrine, D. Warren

    1981-10-01

    After discovering the photoacoustic effect, Alexander Graham Bell predicted its use in spectrometers, and that it would find its greatest utility "in the ultra-red." More than ninety years were required to fulfil his first prediction, and the second is still a prophecy. There is no record whether he ever imagined that an invention being developed that same winter by a young protege of his named Albert Michelson would ever be combined with his photoacoustic effect. A century later, the combination was made by Farrow Burnham, and Eyring, using a visible-range interferometer spectrometer of their own design. Soon afterwards, Rockley and myself, working independently, applied the technique to infrared measurements of solid samples. Photoacoustic cells are now commercially available as FT-IR accessories, and the technique is in use in the field.

  6. Mid-infrared spectroscopy and chemometrics in corn starch classification

    Science.gov (United States)

    Dupuy, N.; Wojciechowski, C.; Ta, C. D.; Huvenne, J. P.; Legrand, P.

    1997-06-01

    The authentication of food is a very important issue for both the consumer and the food industry at all levels of the food chain from raw materials to finished products. Corn starch can be used in a wide variety of food preparations such as bakery cream fillings, sauces, salad dressings, frozen foods etc. Many modifications are made to corn starch in connection with its use in agrofood. The value of the product increases with the degree of modification. Some chemical and physical tests have been devised to solve the problem of identifying these modifications but all the methods are time consuming and require skilled operators. We separate corn starches into groups related to their modification on the basis of the infrared spectra.

  7. Prediction of tablets disintegration times using near-infrared diffuse reflectance spectroscopy as a nondestructive method.

    Science.gov (United States)

    Donoso, M; Ghaly, Evone S

    2005-01-01

    The goals of this study are to user near-infrared reflectance (NIR) spectroscopy to measure the disintegration time of a series of tablets compacted at different compressional forces, calibrate NIR data vs. laboratory equipment data, develop a model equation, validate the model, and test the model's predictive ability. Seven theophylline tablet formulations of the same composition but with different disintegration time values (0.224, 1.141, 2.797, 5.492, 9.397, 16.8, and 30.092 min) were prepared along with five placebo tablet formulations with different disintegration times. Laboratory disintegration time was compared to near-infrared diffuse reflectance data. Linear regression, quadratic, cubic, and partial least square techniques were used to determine the relationship between disintegration time and near-infrared spectra. The results demonstrated that an increase in disintegration time produced an increase in near-infrared absorbance. Series of model equations, which depended on the mathematical technique used for regression, were developed from the calibration of disintegration time using laboratory equipment vs. the near-infrared diffuse reflectance for each formulation. The results of NIR disintegration time were similar to laboratory tests. The near-infrared diffuse reflectance spectroscopy method is an alternative nondestructive method for measurement of disintegration time of tablets.

  8. Versatile silicon-waveguide supercontinuum for coherent mid-infrared spectroscopy

    Science.gov (United States)

    Nader, Nima; Maser, Daniel L.; Cruz, Flavio C.; Kowligy, Abijith; Timmers, Henry; Chiles, Jeff; Fredrick, Connor; Westly, Daron A.; Nam, Sae Woo; Mirin, Richard P.; Shainline, Jeffrey M.; Diddams, Scott

    2018-03-01

    Laser frequency combs, with their unique combination of precisely defined spectral lines and broad bandwidth, are a powerful tool for basic and applied spectroscopy. Here, we report offset-free, mid-infrared frequency combs and dual-comb spectroscopy through supercontinuum generation in silicon-on-sapphire waveguides. We leverage robust fabrication and geometrical dispersion engineering of nanophotonic waveguides for multi-band, coherent frequency combs spanning 70 THz in the mid-infrared (2.5 μm-6.2 μm). Precise waveguide fabrication provides significant spectral broadening with engineered spectra targeted at specific mid-infrared bands. We characterize the relative-intensity-noise of different bands and show that the measured levels do not pose any limitation for spectroscopy applications. Additionally, we use the fabricated photonic devices to demonstrate dual-comb spectroscopy of a carbonyl sulfide gas sample at 5 μm. This work forms the technological basis for applications such as point sensors for fundamental spectroscopy, atmospheric chemistry, trace and hazardous gas detection, and biological microscopy.

  9. Versatile silicon-waveguide supercontinuum for coherent mid-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Nima Nader

    2018-03-01

    Full Text Available Laser frequency combs, with their unique combination of precisely defined spectral lines and broad bandwidth, are a powerful tool for basic and applied spectroscopy. Here, we report offset-free, mid-infrared frequency combs and dual-comb spectroscopy through supercontinuum generation in silicon-on-sapphire waveguides. We leverage robust fabrication and geometrical dispersion engineering of nanophotonic waveguides for multi-band, coherent frequency combs spanning 70 THz in the mid-infrared (2.5 μm–6.2 μm. Precise waveguide fabrication provides significant spectral broadening with engineered spectra targeted at specific mid-infrared bands. We characterize the relative-intensity-noise of different bands and show that the measured levels do not pose any limitation for spectroscopy applications. Additionally, we use the fabricated photonic devices to demonstrate dual-comb spectroscopy of a carbonyl sulfide gas sample at 5 μm. This work forms the technological basis for applications such as point sensors for fundamental spectroscopy, atmospheric chemistry, trace and hazardous gas detection, and biological microscopy.

  10. 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.

  11. Importance of Surface Texture to Infrared Remote Sensing Interpretations

    Science.gov (United States)

    Kirkland, L. E.; Adams, P. M.; Herr, K. C.; Salisbury, J. W.

    2001-11-01

    Thermal infrared remote sensing may be used to identify minerals present on the surface using diagnostic spectral bands. As band depth (spectral contrast) exhibited by the mineral increases, the mineral is easier to detect. In order to determine the expected spectral contrast, thermal infrared spectra of typical mineral endmembers are commonly measured in the laboratory. For example, for calcite, well-crystalline limestone is commonly studied. However, carbonates occur in several forms, including thin coatings, indurated carbonate (calcrete), and hot springs deposits. Different formation pathways may cause different microstructures and surface textures. This in turn can also affect the surface texture of the weathered material. Different surface textures can affect the measured band contrast, through roughness that causes a cavity (hohlraum) effect, and particle size and roughness on a scale that causes volume scattering. Thus since detection limits vary with the spectral contrast, surface texture can be an important variable in how detectable a mineral is. To study these issues, we have examined limestone and calcrete deposits at Mormon Mesa, Nevada that have two distinctly different microstructures and surface texture [Kirkland et al., 2001]. The limestone studied has larger grains and the grains frequently have flat, smooth surfaces on the order of 10-50 microns in cross-section length. The calcrete has smaller, more angular calcite grains, which exhibit almost no flat surfaces longer than 5 microns in cross-section length. We will show scanning electron microscope images to compare the different microstructures and surface textures of both the fresh and weathered surfaces, and we will show corresponding thermal infrared spectra to illustrate the different spectral signatures. The results demonstrate the importance of understanding the microstructure of mineral deposits to accurately interpret infrared remote sensing data, especially for studies that lack ground

  12. On-Line Monitoring of Fermentation Processes by Near Infrared and Fluorescence Spectroscopy

    DEFF Research Database (Denmark)

    Svendsen, Carina

    Monitoring and control of fermentation processes is important to ensure high product yield, product quality and product consistency. More knowledge on on-line analytical techniques such as near infrared and fluorescence spectroscopy is desired in the fermentation industry to increase the efficiency...... of on-line monitoring systems. The primary aim of this thesis is to elucidate and explore the dynamics in fermentation processes by spectroscopy. Though a number of successful on-line lab-scale monitoring systems have been reported, it seems that several challenges are still met, which limits the number...... of full-scale systems implemented in industrial fermentation processes. This thesis seeks to achieve a better understanding of the techniques near infrared and fluorescence spectroscopy and thereby to solve some of the challenges that are encountered. The thesis shows the advantages of applying real...

  13. An evaluation of IASI-NH3 with ground-based Fourier transform infrared spectroscopy measurements

    Directory of Open Access Journals (Sweden)

    E. Dammers

    2016-08-01

    Full Text Available Global distributions of atmospheric ammonia (NH3 measured with satellite instruments such as the Infrared Atmospheric Sounding Interferometer (IASI contain valuable information on NH3 concentrations and variability in regions not yet covered by ground-based instruments. Due to their large spatial coverage and (bi-daily overpasses, the satellite observations have the potential to increase our knowledge of the distribution of NH3 emissions and associated seasonal cycles. However the observations remain poorly validated, with only a handful of available studies often using only surface measurements without any vertical information. In this study, we present the first validation of the IASI-NH3 product using ground-based Fourier transform infrared spectroscopy (FTIR observations. Using a recently developed consistent retrieval strategy, NH3 concentration profiles have been retrieved using observations from nine Network for the Detection of Atmospheric Composition Change (NDACC stations around the world between 2008 and 2015. We demonstrate the importance of strict spatio-temporal collocation criteria for the comparison. Large differences in the regression results are observed for changing intervals of spatial criteria, mostly due to terrain characteristics and the short lifetime of NH3 in the atmosphere. The seasonal variations of both datasets are consistent for most sites. Correlations are found to be high at sites in areas with considerable NH3 levels, whereas correlations are lower at sites with low atmospheric NH3 levels close to the detection limit of the IASI instrument. A combination of the observations from all sites (Nobs = 547 give a mean relative difference of −32.4 ± (56.3 %, a correlation r of 0.8 with a slope of 0.73. These results give an improved estimate of the IASI-NH3 product performance compared to the previous upper-bound estimates (−50 to +100 %.

  14. Engineering absorption and blackbody radiation in the far-infrared with surface phonon polaritons on gallium phosphide

    Energy Technology Data Exchange (ETDEWEB)

    Streyer, W.; Law, S.; Rosenberg, A.; Wasserman, D. [Department of Electrical and Computer Engineering, University of Illinois Urbana Champaign, Urbana, Illinois 61801 (United States); Roberts, C.; Podolskiy, V. A. [Department of Physics and Applied Physics, University of Massachusetts Lowell, Lowell, Massachusetts 01854 (United States); Hoffman, A. J. [Department of Electrical Engineering, University of Notre Dame, South Bend, Indiana 46556 (United States)

    2014-03-31

    We demonstrate excitation of surface phonon polaritons on patterned gallium phosphide surfaces. Control over the light-polariton coupling frequencies is demonstrated by changing the pattern periodicity and used to experimentally determine the gallium phosphide surface phonon polariton dispersion curve. Selective emission via out-coupling of thermally excited surface phonon polaritons is experimentally demonstrated. Samples are characterized experimentally by Fourier transform infrared reflection and emission spectroscopy, and modeled using finite element techniques and rigorous coupled wave analysis. The use of phonon resonances for control of emissivity and excitation of bound surface waves offers a potential tool for the exploration of long-wavelength Reststrahlen band frequencies.

  15. Fourier transform infrared imaging and infrared fiber optic probe spectroscopy identify collagen type in connective tissues.

    Directory of Open Access Journals (Sweden)

    Arash Hanifi

    Full Text Available Hyaline cartilage and mechanically inferior fibrocartilage consisting of mixed collagen types are frequently found together in repairing articular cartilage. The present study seeks to develop methodology to identify collagen type and other tissue components using Fourier transform infrared (FTIR spectral evaluation of matrix composition in combination with multivariate analyses. FTIR spectra of the primary molecular components of repair cartilage, types I and II collagen, and aggrecan, were used to develop multivariate spectral models for discrimination of the matrix components of the tissues of interest. Infrared imaging data were collected from bovine bone, tendon, normal cartilage, meniscus and human repair cartilage tissues, and composition predicted using partial least squares analyses. Histology and immunohistochemistry results were used as standards for validation. Infrared fiber optic probe spectral data were also obtained from meniscus (a tissue with mixed collagen types to evaluate the potential of this method for identification of collagen type in a minimally-invasive clinical application. Concentration profiles of the tissue components obtained from multivariate analysis were in excellent agreement with histology and immunohistochemistry results. Bone and tendon showed a uniform distribution of predominantly type I collagen through the tissue. Normal cartilage showed a distribution of type II collagen and proteoglycan similar to the known composition, while in repair cartilage, the spectral distribution of both types I and II collagen were similar to that observed via immunohistochemistry. Using the probe, the outer and inner regions of the meniscus were shown to be primarily composed of type I and II collagen, respectively, in accordance with immunohistochemistry data. In summary, multivariate analysis of infrared spectra can indeed be used to differentiate collagen type I and type II, even in the presence of proteoglycan, in

  16. The application of near infrared spectroscopy (NIR technique for

    Directory of Open Access Journals (Sweden)

    Sandor Barabassy

    2001-06-01

    Full Text Available The production of cow’s milk in Hungary fluctuates by 15-20 % annualy. Surplus milk is dried into powder and can also be converted to modified milk powders using techniques such as ultra filtration. From approximetely 20.000 tonnes, of all milk powder types, 3.000 tonnes, is converted using ultra filtration technology. Multivariable near infrared (NIR calibration was performed on powder mixtures of whole milk, skimmed milk, whey, retenate (protein concentrate and lactose for rapid fat, protein, lactose, water and ash content determination. More than 150 samples were prepared and measured in two NIRS labs (Scottish Agriculture College – SAC – Aberdeen and University of Horticulture and Food Science - UHFS – Budapest. The results obtained from the same samples were compared. The aims of the study were: 1. Rapid quantitative and qualitative determination of mixtures of milk powder products using NIR technique. 2. Comparison of the results achieved in Aberdeen (SAC and Budapest (UHFS institutes. The mass per cent varied between 0.0-2.8% for fat, 0.0-80% for protein, 6.6-100 % for lactose, 0.0-5.0 % for water and 0.0-8.0 % for ash. High correlation coefficients (0.97-0.99 were found for all five components.

  17. Gemini Near-infrared Spectroscopy of Luminous z~6 Quasars

    DEFF Research Database (Denmark)

    Jiang, Linhua; Fan, Xiaohui; Vestergaard, Marianne

    2007-01-01

    We present Gemini near-infrared spectroscopic observations of six luminous quasars at z=5.8$\\sim$6.3. Five of them were observed using Gemini-South/GNIRS, which provides a simultaneous wavelength coverage of 0.9--2.5 $\\mu$m in cross dispersion mode. The other source was observed in K band...... with Gemini-North/NIRI. We calculate line strengths for all detected emission lines and use their ratios to estimate gas metallicity in the broad-line regions of the quasars. The metallicity is found to be supersolar with a typical value of $\\sim$4 Z_{\\sun}, and a comparison with low-redshift observations...... shows no strong evolution in metallicity up to z$\\sim$6. The FeII/MgII ratio of the quasars is 4.9+/-1.4, consistent with low-redshift measurements. We estimate central BH masses of 10^9 to 10^{10} M_{\\sun} and Eddington luminosity ratios of order unity. We identify two MgII $\\lambda\\lambda$2796...

  18. Mid-infrared photoacoustic spectroscopy for atmospheric NO2 measurements

    Science.gov (United States)

    Lassen, Mikael; Lamard, Laurent; Balslev-Harder, David; Peremans, Andre; Petersen, Jan C.

    2018-02-01

    A photoacoustic (PA) sensor for spectroscopic measurements of NO2-N2 at ambient pressure and temperature is demonstrated. The PA sensor is pumped resonantly by a nanosecond pulsed single-mode mid-infrared (MIR) optical parametric oscillator (OPO). Spectroscopic measurements of NO2-N2 in the 3.25 μm to 3.55 μm wavelength region with a resolution bandwidth of 5 cm-1 and with a single shot detection limit of 1.6 ppmV (μmol/mol) is demonstrated. The measurements were conducted with a constant flow rate of 300 ml/min, thus demonstrating the suitability of the gas sensor for real time trace gas measurements. The acquired spectra is compared with data from the Hitran database and good agreement is found. An Allan deviation analysis shows that the detection limit at optimum integration time for the PAS sensor is 14 ppbV (nmol/mol) at 170 seconds of integration time, corresponding to a normalized noise equivalent absorption (NNEA) coefficient of 3.3×10-7 W cm-1 Hz-1/2.

  19. Application of Near-Infrared and Fourier Transform Infrared Spectroscopy in the Characterization of Ligand-Induced Conformation Changes in Folate Binding Protein Purified from Bovine Milk

    DEFF Research Database (Denmark)

    Bruun, Susanne Wrang; Holm, Jan; Hansen, Steen Ingemann

    2006-01-01

    Fourier transform infrared (FT-IR) and near-infrared (NIR) spectroscopy have been applied to detect structural alterations in folate binding protein (FBP) induced by ligation in different buffer types. The amide I region pointed to a beta-sheet to alpha-helix transition upon ligation in acetate...

  20. Quantification of SOC and Clay Content Using Visible Near-Infrared Reflectance–Mid-Infrared Reflectance Spectroscopy With Jack-Knifing Partial Least Squares Regression

    DEFF Research Database (Denmark)

    Peng, Yi; Knadel, Maria; Gislum, René

    2014-01-01

    A total of 125 soil samples were collected from a Danish field varying in soil texture from sandy to loamy. Visible near-infrared reflectance (Vis-NIR) and mid-infrared reflectance (MIR) spectroscopy combined with chemometric methods were used to predict soil organic carbon (SOC) and clay content...

  1. Advances in Contactless Silicon Defect and Impurity Diagnostics Based on Lifetime Spectroscopy and Infrared Imaging

    Directory of Open Access Journals (Sweden)

    Jan Schmidt

    2007-01-01

    Full Text Available This paper gives a review of some recent developments in the field of contactless silicon wafer characterization techniques based on lifetime spectroscopy and infrared imaging. In the first part of the contribution, we outline the status of different lifetime spectroscopy approaches suitable for the identification of impurities in silicon and discuss—in more detail—the technique of temperature- and injection-dependent lifetime spectroscopy. The second part of the paper focuses on the application of infrared cameras to analyze spatial inhomogeneities in silicon wafers. By measuring the infrared signal absorbed or emitted from light-generated free excess carriers, high-resolution recombination lifetime mappings can be generated within seconds to minutes. In addition, mappings of non-recombination-active trapping centers can be deduced from injection-dependent infrared lifetime images. The trap density has been demonstrated to be an important additional parameter in the characterization and assessment of solar-grade multicrystalline silicon wafers, as areas of increased trap density tend to deteriorate during solar cell processing.

  2. Characterization of underground storage tank sludge using fourier transform infrared photoacoustic spectroscopy

    International Nuclear Information System (INIS)

    Luo, S.; Bajic, S.J.; Jones, R.W.

    1994-01-01

    Analysis of underground storage tank (UST) contents is critical for the determination of proper disposal protocols and storage procedures of nuclear waste materials. Tank volume reduction processes during the 1940's and 50's have produced a waste form that compositionally varies widely and has a consistency that ranges from paste like sludge to saltcake. The heterogeneity and chemical reactivity of the waste form makes analysis difficult by most conventional methods which require extensive sample preparation. In this paper, a method is presented to characterize nuclear waste from UST's at the Westinghouse Hanford Site in Washington State, using Fourier transform infrared-photoacoustic spectroscopy (FTIR-PAS). FTIR-PAS measurements on milligram amounts of surrogate sludge samples have been used to accurately identify phosphate, sulfate, nitrite, nitrate and ferrocyanide components. A simple sample preparation method was followed to provide a reproducible homogeneous sample for quantitative analysis. The sample preparation method involved freeze drying the sludge sample prior to analysis to prevent the migration of soluble species. Conventional drying (e.g., air or, oven) leads to the formation of crystals near the surface where evaporation occurs. Sample preparation as well as the analytical utility of this method will be discussed

  3. In Situ Infrared Spectroscopy of Oligoaniline Intermediates Created under Alkaline Conditions.

    Science.gov (United States)

    Šeděnková, Ivana; Stejskal, Jaroslav; Trchová, Miroslava

    2014-12-26

    The progress of the oxidation of aniline with ammonium peroxydisulfate in an alkaline aqueous medium has been monitored in situ by attenuated total reflection (ATR) Fourier transform infrared spectroscopy. The growth of the microspheres and of the film at the ATR crystal surface, as well as the changes proceeding in the surrounding aqueous medium, are reflected in the spectra. The evolution of the spectra and the changes in the molecular structure occurring during aniline oxidation in alkaline medium are discussed with the help of differential spectra. Several processes connected with the various stages of aniline oxidation were distinguished. The progress of hydrolysis of the aniline in water and further an oxidation of aminophenol to benzoquinone imines in the presence of peroxydisulfate in alkaline medium have been detected in the spectra in real time. The precipitated solid oxidation product was analyzed by mass spectrometry. It is composed of oligomers, mainly trimers to octamers, of various molecular structures incorporating in addition to aniline constitutional units also p-benzoquinone or p-benzoquinoneimine moieties.

  4. Infrared and Raman Spectroscopy of Liquid Water through "First-Principles" Many-Body Molecular Dynamics.

    Science.gov (United States)

    Medders, Gregory R; Paesani, Francesco

    2015-03-10

    Vibrational spectroscopy is a powerful technique to probe the structure and dynamics of water. However, deriving an unambiguous molecular-level interpretation of the experimental spectral features remains a challenge due to the complexity of the underlying hydrogen-bonding network. In this contribution, we present an integrated theoretical and computational framework (named many-body molecular dynamics or MB-MD) that, by systematically removing uncertainties associated with existing approaches, enables a rigorous modeling of vibrational spectra of water from quantum dynamical simulations. Specifically, we extend approaches used to model the many-body expansion of interaction energies to develop many-body representations of the dipole moment and polarizability of water. The combination of these "first-principles" representations with centroid molecular dynamics simulations enables the simulation of infrared and Raman spectra of liquid water under ambient conditions that, without relying on any ad hoc parameters, are in good agreement with the corresponding experimental results. Importantly, since the many-body energy, dipole, and polarizability surfaces employed in the simulations are derived independently from accurate fits to correlated electronic structure data, MB-MD allows for a systematic analysis of the calculated spectra in terms of both electronic and dynamical contributions. The present analysis suggests that, while MB-MD correctly reproduces both the shifts and the shapes of the main spectroscopic features, an improved description of quantum dynamical effects possibly combined with a dissociable water potential may be necessary for a quantitative representation of the OH stretch band.

  5. Measurement of oxygen consumption during muscle flaccidity exercise by near-infrared spectroscopy

    Science.gov (United States)

    Fukuda, K.; Fukawa, Y.

    2013-03-01

    Quantitative measurement oxygen consumption in the muscles is important to evaluate the effect of the exercise. Near-infrared spectroscopy (NIRS) is a noninvasive method for measuring muscle oxygenation. However, measurement results are affected by blood volume change due to changes in the blood pressure. In order to evaluate changes in blood volume and to improve measurement accuracy, we proposed a calculation method of three-wavelength measurement with considering the scattering factor and the measurement with monitoring blood flow for measuring the temporal change of the oxygen concentration more precisely. We applied three-wavelength light source (680nm, 808nm and 830nm) for the continued wave measurement. Two detectors (targeted detector and the reference detector) were placed near the target muscle and apart from it. We measured the blood flow by controlling the intravascular pressure and the oxygen consumption with the handgrip exercise in the forearm. The measured results show that the scattering factor contains the artifact at the surface and the blood flow in the artery and the vein in the same phase. The artifact and the blood flow in the same phase are reduced from the oxygenated and the deoxygenated hemoglobin densities. Thus our proposed method is effective for reducing the influence of the artifact and the blood flow in the same phase from the oxygen consumption measurement. Further, it is shown that the oxygen consumption is measured more accurately by subtracting the blood flow measured by the reference detector.

  6. Coregistering functional near-infrared spectroscopy with underlying cortical areas in infants

    Science.gov (United States)

    Lloyd-Fox, Sarah; Richards, John E.; Blasi, Anna; Murphy, Declan G. M.; Elwell, Clare E.; Johnson, Mark H.

    2014-01-01

    Abstract. Functional near-infrared spectroscopy (fNIRS) is becoming a popular tool in developmental neuroscience for mapping functional localized brain responses. However, as it cannot provide information about underlying anatomy, researchers have begun to conduct spatial registration of fNIRS channels to cortical anatomy in adults. The current work investigated this issue with infants by coregistering fNIRS and magnetic resonance imaging (MRI) data from 55 individuals. Our findings suggest that fNIRS channels can be reliably registered with regions in the frontal and temporal cortex of infants from 4 to 7 months of age. Although some macro-anatomical regions are difficult to consistently define, others are more stable and fNIRS channels on an age-appropriate MRI template are often consistent with individual infant MRIs. We have generated a standardized scalp surface map of fNIRS channel locators to reliably locate cortical regions for fNIRS developmental researchers. This new map can be used to identify the inferior frontal gyrus, superior temporal sulcus (STS) region [which includes the superior and middle temporal gyri (MTG) nearest to the STS], and MTG and temporal-parietal regions in 4- to 7-month-old infants. Future work will model data for the whole head, taking into account the properties of light transport in tissue, and expanding to different ages across development. PMID:25558463

  7. Infrared Spectroscopy of Parent Volatiles in Comets: Implications for Astrobiology

    Science.gov (United States)

    DiSanti, Michael A.

    2010-01-01

    Current cometary orbits provide information on their recent dynamical history. However, determining a given comet's formation region from its current dynamical state alone is complicated by radial migration in the proto-planetary disk and by dynamical interactions with the growing giant planets. Because comets reside for long periods of time in the outer Solar System, the ices contained in their nuclei (native ices) retain a relatively well-preserved footprint of when and where they formed, and this in turn can provide clues to conditions in the formation epoch. As a comet approaches the Sun, sublimation of its native ices releases parent volatiles into the coma where they can be measured spectroscopically. The past to - 15 years have seen the advent of infrared spectrometers with high sensitivity between about 2.8 and 5.0 micron, enabling a taxonomy among comets based on abundances of parent volatiles (e.g., H2O, CO, CH4, C2H6, HCN, CH30H, H2CO, NH3). Such molecules are of keen interest to Astrobiology, as they include important pre-biotic species that likely were required for the emergence of life on Earth and perhaps elsewhere. Approximately 20 comets have thus far been characterized, beginning with C/1996 82 (Hyakutake) in 1996. Molecular production rates are established through comparison of observed emission line intensities with those predicted by quantum mechanical fluorescence models. Abundances of parent volatiles (relative to H2O) vary among even the relatively small number of comets sampled, with the most volatile species (CO and CH4) displaying the largest variations. Techniques developed for measuring parent volatile abundances in comets will be discussed, as will possible implications for their formation.

  8. Functional Group Analysis of Biomass Burning Particles Using Infrared Spectroscopy

    Science.gov (United States)

    Horrell, K.; Lau, A.; Bond, T.; Iraci, L. T.

    2008-12-01

    Biomass burning is a significant source of particulate organic carbon in the atmosphere. These particles affect the energy balance of the atmosphere directly by absorbing and scattering solar radiation, and indirectly through their ability to act as cloud condensation nuclei (CCN). The chemical composition of biomass burning particles influences their ability to act as CCN, thus understanding the chemistry of these particles is required for understanding their effects on climate and air quality. As climate change influences the frequency and severity of boreal forest fires, the influence of biomass burning aerosols on the atmosphere may become significantly greater. Only a small portion of the organic carbon (OC) fraction of these particles has been identified at the molecular level, although several studies have explored the general chemical classes found in biomass burning smoke. To complement those studies and provide additional information about the reactive functional groups present, we are developing a method for polarity-based separation of compound classes found in the OC fraction, followed by infrared (IR) spectroscopic analysis of each polarity fraction. It is our goal to find a simple, relatively low-tech method which will provide a moderate chemical understanding of the entire suite of compounds present in the OC fraction of biomass burning particles. Here we present preliminary results from pine and oak samples representative of Midwestern United States forests burned at several different temperatures. Wood type and combustion temperature are both seen to affect the composition of the particles. The latter seems to affect relative contributions of certain functional groups, while oak demonstrates at least one additional chemical class of compounds, particularly at lower burning temperatures, where gradual solid-gas phase reactions can produce relatively large amounts of incompletely oxidized products.

  9. Mars Infrared Spectroscopy: From Theory and the Laboratory To Field Observations

    Science.gov (United States)

    Kirkland, Laurel (Editor); Mustard, John (Editor); McAfee, John (Editor); Hapke, Bruce (Editor); Ramsey, Michael (Editor)

    2002-01-01

    The continuity and timely implementation of the Mars exploration strategy relies heavily on the ability of the planetary community to interpret infrared spectral data. However, the increasing mission rate, data volume, and data variety, combined with the small number of spectroscopists within the planetary community, will require a coordinated community effort for effective and timely interpretation of the newly acquired and planned data sets. Relevant spectroscopic instruments include the 1996 TES, 2001 THEMIS, 2003 Pancam, 2003 Mini-TES, 2003 Mars Express OMEGA, 2003 Mars Express PFS, and 2005 CFUSM. In light of that, leaders of the Mars spectral community met June 4-6 to address the question: What terrestrial theoretical, laboratory, and field studies are most needed to best support timely interpretations of current and planned visible infrared spectrometer data sets, in light of the Mars Program goals? A primary goal of the spectral community is to provide a reservoir of information to enhance and expand the exploration of Mars. Spectroscopy has a long history of providing the fundamental compositional discoveries in the solar system, from atmospheric constituents to surface mineralogy, from earth-based to spacecraft-based observations. However, such spectroscopic compositional discoveries, especially surface mineralogies, have usually come after long periods of detailed integration of remote observations, laboratory analyses, and field measurements. Spectroscopic information of surfaces is particularly complex and often is confounded by interference of broad, overlapping absorption features as well as confusing issues of mixtures, coatings, and grain size effects. Thus some spectroscopic compositional discoveries have come only after many years of research. However, we are entering an era of Mars exploration with missions carrying sophisticated spectrometers launching about every 2 years. It is critical that each mission provide answers to relevant questions

  10. Bio-analytical applications of mid-infrared spectroscopy using silver halide fiber-optic probes

    International Nuclear Information System (INIS)

    Heise, H.M.; Kuepper, L.; Butvina, L.N.

    2002-01-01

    Infrared-spectroscopy has proved to be a powerful method for the study of various biomedical samples, in particular for in-vitro analysis in the clinical laboratory and for non-invasive diagnostics. In general, the analysis of biofluids such as whole blood, urine, microdialysates and bioreactor broth media takes advantage of the fact that a multitude of analytes can be quantified simultaneously and rapidly without the need for reagents. Progress in the quality of infrared silver halide fibers enabled us to construct several flexible fiber-optic probes of different geometries, which are particularly suitable for the measurement of small biosamples. Recent trends show that dry film measurements by mid-infrared spectroscopy could revolutionize analytical tools in the clinical chemistry laboratory, and an example is given. Infrared diagnostic tools show a promising potential for patients, and minimal-invasive blood glucose assays or skin tissue pathology in particular cannot be left out using mid-infrared fiber-based probes. Other applications include the measurement of skin samples including penetration studies of vitamins and constituents of cosmetic cream formulations. A further field is the micro-domain analysis of biopsy samples from bog mummified corpses, and recent results on the chemistry of dermis and hair samples are reported. Another field of application, for which results are reported, is food analysis and bio-reactor monitoring

  11. Infrared

    Science.gov (United States)

    Vollmer, M.

    2013-11-01

    underlying physics. There are now at least six different disciplines that deal with infrared radiation in one form or another, and in one or several different spectral portions of the whole IR range. These are spectroscopy, astronomy, thermal imaging, detector and source development and metrology, as well the field of optical data transmission. Scientists working in these fields range from chemists and astronomers through to physicists and even photographers. This issue presents examples from some of these fields. All the papers—though some of them deal with fundamental or applied research—include interesting elements that make them directly applicable to university-level teaching at the graduate or postgraduate level. Source (e.g. quantum cascade lasers) and detector development (e.g. multispectral sensors), as well as metrology issues and optical data transmission, are omitted since they belong to fundamental research journals. Using a more-or-less arbitrary order according to wavelength range, the issue starts with a paper on the physics of near-infrared photography using consumer product cameras in the spectral range from 800 nm to 1.1 µm [1]. It is followed by a series of three papers dealing with IR imaging in spectral ranges from 3 to 14 µm [2-4]. One of them deals with laboratory courses that may help to characterize the IR camera response [2], the second discusses potential applications for nondestructive testing techniques [3] and the third gives an example of how IR thermal imaging may be used to understand cloud cover of the Earth [4], which is the prerequisite for successful climate modelling. The next two papers cover the vast field of IR spectroscopy [5, 6]. The first of these deals with Fourier transform infrared spectroscopy in the spectral range from 2.5 to 25 µm, studying e.g. ro-vibrational excitations in gases or optical phonon interactions within solids [5]. The second deals mostly with the spectroscopy of liquids such as biofuels and special

  12. Far-infrared spectroscopy of lanthanide-based molecular magnetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Haas, Sabrina

    2015-05-13

    This thesis demonstrates the applicability of far-infrared spectroscopy for the study of the crystal-field splitting of lanthanides in single-molecular magnetic materials. The far-infrared studies of three different kinds of single-molecular-magnetic materials, a single-ion magnet, a single-chain magnet and an exchange-coupled cluster, yielded a deeper understanding of the crystal-field splitting of the lanthanides in these materials. In addition, our results offered the opportunity to gain a deeper insight into the relaxation processes of these materials.

  13. Quantification of changes in skin hydration and sebum after tape stripping using infrared spectroscopy

    Science.gov (United States)

    Ezerskaia, A.; Pereira, S. F.; Urbach, H. P.; Varghese, B.

    2017-02-01

    Skin barrier function relies on well balanced water and lipid system of stratum corneum. Optimal hydration and oiliness levels are indicators of skin health and integrity. We demonstrate an accurate and sensitive depth profiling of stratum corneum sebum and hydration levels using short wave infrared spectroscopy in the spectral range around 1720 nm. We demonstrate that short wave infrared spectroscopic technique combined with tape stripping can provide morequantitative and more reliable skin barrier function information in the low hydration regime, compared to conventional biophysical methods.

  14. Electrochemical surface plasmon spectroscopy-Recent developments and applications

    International Nuclear Information System (INIS)

    Zhang, Nan; Schweiss, Ruediger; Zong, Yun; Knoll, Wolfgang

    2007-01-01

    A survey is given on recent developments and applications of electrochemical techniques combined with surface plasmon resonance (SPR) spectroscopy. Surface plasmon spectroscopy (SPS) and optical waveguide mode spectroscopy make use of evanescent waves on metal-dielectric interfaces and can be conveniently combined with electrochemical methods. Selected examples of applications of high-pressure surface electrochemical plasmon resonance spectroscopy to study supramolecular architectures such as layer-by-layer films of conducting polymers or thin composite films will be presented. Then a combination of SPS with the electrochemical quartz crystal microbalance (EQCM) will be introduced and illustrated with a study on doping/de-doping process of a conducting polymer. This combination allows for simultaneous electrochemical, optical and microgravimetric characterization of interfaces. Finally, new technical developments including integration of SPS into microfluidic devices using a grating coupler and surface plasmon enhanced diffraction will be discussed

  15. Infrared reflection absorption spectroscopy study of radiation-heterogeneous processes in the system of aluminum-hexane

    International Nuclear Information System (INIS)

    Gadzhieva, N.N.; Rimikhanova, A.N.; Garibov, A.A.

    2004-01-01

    Full text: Infrared reflection absorption spectroscopy (IRRAS) was applied to study the regularities of radiation conversion of hexane on the surface of aluminum. The research object was the thin polished aluminum plate by mark of AD-00 with reflection coefficient R=0.8†0.85 in infrared range λ=2.2†15 μ . As adsorbate unsaturated vapors of spectroscopy clear hexane were used. The absorption of hexane (C 2 H 14 ) was being studied manometric at pressures P=(0.1†1.0)·10 2 Pa , what corresponded to monolayer value of 1-10. The samples were irradiated with γ-quanta of 60 Co with D=1.03 Gy·s -1 doze rate. Infrared reflection spectrum when linear-polarized radiation fall on the sample under angle ψ=10 o was measured by spectrophotometer 'Specord 71 JR' in diapason of 4000-650cm -1 at the temperature by mean of special reflecting arrangements. Formation of molecular hydrogen (H 2 ) and other gaseous products of decomposition were controlled by chromotographical and infrared spectroscopical methods. The analysis of hexane infrared absorption spectra after radiation-stimulated adsorption on the surface of aluminum, points out the formation of H-bonded hydrocarbon complex ( ν∼2680cm -1 ) with much loosening of C-H bond (the molecular form of absorption) and the possibility of proceeding dissociative absorption with formation of metal-alkyls (ν∼2880, 2920, 2970 cm -1 ). Probability of the last mentioned process, which proceeds in the most defective centers, increases with increasing of γ-radiation doze. It was established that the radiation processes in hetero system Al-ads.C 6 H 14 accelerate the radiolysis of hexane. At all these the radiation decomposition of hexane in hetero system Al-ads.C 6 H 14 is accompanied by formation the surface hydrides (ν∼1700-2000 cm -1 ), acetylene (ν∼3200-3300 cm -1 ), ethylene (ν∼980 cm -1 ), and also gaseous products of molecular hydrogen decomposition (H 2 ) and hydrocarbons C 1 -C 5 (bands with maxima 770, 790

  16. Food Safety Evaluation Based on Near Infrared Spectroscopy and Imaging: A Review.

    Science.gov (United States)

    Fu, Xiaping; Ying, Yibin

    2016-08-17

    In recent years, due to the increasing consciousness of food safety and human health, much progress has been made in developing rapid and nondestructive techniques for the evaluation of food hazards, food authentication, and traceability. Near infrared (NIR) spectroscopy and imaging techniques have gained wide acceptance in many fields because of their advantages over other analytical techniques. Following a brief introduction of NIR spectroscopy and imaging basics, this review mainly focuses on recent NIR spectroscopy and imaging applications for food safety evaluation, including (1) chemical hazards detection; (2) microbiological hazards detection; (3) physical hazards detection; (4) new technology-induced food safety concerns; and (5) food traceability. The review shows NIR spectroscopy and imaging to be effective tools that will play indispensable roles for food safety evaluation. In addition, on-line/real-time applications of these techniques promise to be a huge growth field in the near future.

  17. The electric field standing wave effect in infrared transflection spectroscopy

    Science.gov (United States)

    Mayerhöfer, Thomas G.; Popp, Jürgen

    2018-02-01

    We show that an electric field standing wave effect is responsible for the oscillations and the non-linear dependence of the absorbance on the layer thickness in thin layers on a reflective surface. This effect is connected to the occurrence of interference inside these layers. Consequently, the absorptance undergoes a maximum electric field intensity enhancement at spectral positions close to those where corresponding non-absorbing layers on a metal show minima in the reflectance. The effect leads to changes of peak maxima ratios with layer thickness and shows the same periodicity as oscillations in the peak positions. These peculiarities are fully based on and described by Maxwell's equations but cannot be understood and described if the strongly simplifying model centered on reflectance absorbance is employed.

  18. Synergy Effect of Combining Fluorescence and Mid Infrared Fiber Spectroscopy for Kidney Tumor Diagnostics

    Directory of Open Access Journals (Sweden)

    Andrey Bogomolov

    2017-11-01

    Full Text Available Matching pairs of tumor and non-tumor kidney tissue samples of four patients were investigated ex vivo using a combination of two methods, attenuated total reflection mid infrared spectroscopy and fluorescence spectroscopy, through respectively prepared and adjusted fiber probes. In order to increase the data information content, the measurements on tissue samples in both methods were performed in the same 31 preselected positions. Multivariate data analysis revealed a synergic effect of combining the two methods for the diagnostics of kidney tumor compared to individual techniques.

  19. Mössbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    Science.gov (United States)

    Jaén, Juan A.; Navarro, César

    2009-07-01

    Fourier transform infrared spectroscopy and Mössbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Mössbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  20. Moessbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    International Nuclear Information System (INIS)

    Jaen, Juan A.; Navarro, Cesar

    2009-01-01

    Fourier transform infrared spectroscopy and Moessbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Moessbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  1. Moessbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    Energy Technology Data Exchange (ETDEWEB)

    Jaen, Juan A., E-mail: jjaen@ancon.up.ac.p [Universidad de Panama, Depto. de Quimica Fisica, CITEN, Lab. No. 105, Edificio de Laboratorios Cientificos-VIP (Panama); Navarro, Cesar [Universidad de Panama, Escuela de Quimica, Facultad de Ciencias Naturales, Exactas y Tecnologia (Panama)

    2009-07-15

    Fourier transform infrared spectroscopy and Moessbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Moessbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  2. Dynamical interactions between solute and solvent studied by nonlinear infrared spectroscopy

    International Nuclear Information System (INIS)

    Ohta, K.; Tominaga, K.

    2006-01-01

    Interactions between solute and solvent play an important role in chemical reaction dynamics and in many relaxation processes in condensed phases. Recently third-order nonlinear infrared (IR) spectroscopy has shown to be useful to investigate solute-solvent interaction and dynamics of the vibrational transition. These studies provide detailed information on the energy relaxation of the vibrationally excited state, and the time scale and the magnitude of the time correlation functions of the vibrational frequency fluctuations. In this work we have studied vibrational energy relaxation (VER) of solutions and molecular complexes by nonlinear IR spectroscopy, especially IR pump-probe method, to understand the microscopic interactions in liquids. (authors)

  3. Production of high temperature superconductors and characteristics by infrared and Raman spectroscopy

    International Nuclear Information System (INIS)

    Thomsen, C.

    1991-01-01

    This final report, which is partly kept short, is concerned with electron/phonon interaction and the determination of the band gap in high temperature superconductors (YBa 2 Cu 3 O 7 ). The final report is divided into four parts, which reflect the individual working groups: 1. Raman spectroscopy, 2. IR spectroscopy (reflection measurements, isotope effect, superconducting energy gap, behaviour of infrared active phonons), 3. Magnetic field measurements, and 4. Theory (initial calculation of the metal/isolator transfer in BaBiO 3 ). (MM) [de

  4. [Current views on surface enhanced Raman spectroscopy in microbiology].

    Science.gov (United States)

    Jia, Xiaoxiao; Li, Jing; Qin, Tian; Deng, Aihua; Liu, Wenjun

    2015-05-01

    Raman spectroscopy has generated many branches during the development for more than 90 years. Surface enhanced Raman spectroscopy (SERS) improves SNR by using the interaction between tested materials and the surface of rough metal, as to quickly get higher sensitivity and precision spectroscopy without sample pretreatment. This article describes the characteristic and classification of SERS, and updates the theory and clinical application of SERS. It also summarizes the present status and progress of SERS in various disciplines and illustrates the necessity and urgency of its research, which provides rationale for the application for SERS in microbiology.

  5. Identification of Chinese medicinal fungus Cordyceps sinensis by depth-profiling mid-infrared photoacoustic spectroscopy

    Science.gov (United States)

    Du, Changwen; Zhou, Jianmin; Liu, Jianfeng

    2017-02-01

    With increased demand for Cordyceps sinensis it needs rapid methods to meet the challenge of identification raised in quality control. In this study Cordyceps sinensis from four typical natural habitats in China was characterized by depth-profiling Fourier transform infrared photoacoustic spectroscopy. Results demonstrated that Cordyceps sinensis samples resulted in typical photoacoustic spectral appearance, but heterogeneity was sensed in the whole sample; due to the heterogeneity Cordyceps sinensis was represented by spectra of four groups including head, body, tail and leaf under a moving mirror velocity of 0.30 cm s- 1. The spectra of the four groups were used as input of a probabilistic neural network (PNN) to identify the source of Cordyceps sinensis, and all the samples were correctly identified by the PNN model. Therefore, depth-profiling Fourier transform infrared photoacoustic spectroscopy provides novel and unique technique to identify Cordyceps sinensis, which shows great potential in quality control of Cordyceps sinensis.

  6. Gastric cancer differentiation using Fourier transform near-infrared spectroscopy with unsupervised pattern recognition

    Science.gov (United States)

    Yi, Wei-song; Cui, Dian-sheng; Li, Zhi; Wu, Lan-lan; Shen, Ai-guo; Hu, Ji-ming

    2013-01-01

    The manuscript has investigated the application of near-infrared (NIR) spectroscopy for differentiation gastric cancer. The 90 spectra from cancerous and normal tissues were collected from a total of 30 surgical specimens using Fourier transform near-infrared spectroscopy (FT-NIR) equipped with a fiber-optic probe. Major spectral differences were observed in the CH-stretching second overtone (9000-7000 cm-1), CH-stretching first overtone (6000-5200 cm-1), and CH-stretching combination (4500-4000 cm-1) regions. By use of unsupervised pattern recognition, such as principal component analysis (PCA) and cluster analysis (CA), all spectra were classified into cancerous and normal tissue groups with accuracy up to 81.1%. The sensitivity and specificity was 100% and 68.2%, respectively. These present results indicate that CH-stretching first, combination band and second overtone regions can serve as diagnostic markers for gastric cancer.

  7. Noninvasive detection of change in skeletal muscle oxygenation during incremental exercise with near-infrared spectroscopy

    Science.gov (United States)

    Liu, Fang; Luo, Qingming; Xu, Guodong; Li, Pengcheng

    2003-12-01

    Near infrared spectroscopy (NIRS) has been developed as a non-invasive method to assess O2 delivery, O2 consumption and blood flow, in diverse local muscle groups at rest and during exercise. The aim of this study was to investigate local O2 consumption in exercising muscle by use of near-infrared spectroscopy (NIRS). Ten elite athletes of different sport items were tested in rest and during step incremental load exercise. Local variations of quadriceps muscles were investigated with our wireless NIRS blood oxygen monitor system. The results show that the changes of blood oxygen relate on the sport items, type of muscle, kinetic capacity et al. These results indicate that NIRS is a potential useful tool to detect local muscle oxygenation and blood flow profiles; therefore it might be easily applied for evaluating the effect of athletes training.

  8. [Research progress and application prospect of near infrared spectroscopy in soil nutrition analysis].

    Science.gov (United States)

    Ding, Hai-quan; Lu, Qi-peng

    2012-01-01

    "Digital agriculture" or "precision agriculture" is an important direction of modern agriculture technique. It is the combination of the modern information technique and traditional agriculture and becomes a hotspot field in international agriculture research in recent years. As a nondestructive, real-time, effective and exact analysis technique, near infrared spectroscopy, by which precision agriculture could be carried out, has vast prospect in agrology and gradually gained the recognition. The present paper intends to review the basic theory of near infrared spectroscopy and its applications in the field of agrology, pointing out that the direction of NIR in agrology should based on portable NIR spectrograph in order to acquire qualitative or quantitative information from real-time measuring in field. In addition, NIRS could be combined with space remote sensing to macroscopically control the way crop is growing and the nutrition crops need, to change the current state of our country's agriculture radically.

  9. Recent Advances in Laboratory Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbons: PAHs in the Far Infrared

    Science.gov (United States)

    Mattioda, Andrew L.; Ricca, Alessandra; Tucker, Jonathan; Boersma, Christiaan; Bauschlicher, Charles, Jr.; Allamandola, Louis J.

    2010-01-01

    Over 25 years of observations and laboratory work have shown that the mid-IR spectra of a majority of astronomical sources are dominated by emission features near 3.3, 6.2, 7.7, and 11.2 microns, which originate in free polycyclic aromatic hydrocarbon (PAH) molecules. PAHs dominate the mid-IR emission from many galactic and extragalactic objects. As such, this material tracks a wide variety of astronomical processes, making this spectrum a powerful probe of the cosmos Apart from bands in the mid-IR, PAHs have bands spanning the Far-IR (FIR) and emission from these FIR features should be present in astronomical sources showing the Mid-IR PAH bands. However, with one exception, the FIR spectral characteristics are known only for a few neutral small PAHs trapped in salt pellets or oils at room temperature, data which is not relevant to astrophysics. Furthermore, since most emitting PAHs responsible for the mid-IR astronomical features are ionized, the absence of any experimental or theoretical PAH ion FIR spectra will make it impossible to correctly interpret the FIR data from these objects. In view of the upcoming Herschel space telescope mission and SOFIA's FIR airborne instrumentation, which will pioneer the FIR region, it is now urgent to obtain PAH FIR spectra. This talk will present an overview recent advances in the laboratory spectroscopy of PAHs, Highlighting the FIR spectroscopy along with some quantum calculations.

  10. Surface Spectroscopy Center Of Excellence Project

    Science.gov (United States)

    Wooden, Diane

    2014-01-01

    We propose to develop a national center of excellence in Regolith Radiative Transfer (RRT), i.e., in modeling spectral reflectivity and emissivity of grainy or structured surfaces. The focus is the regime where the structural elements of grainy surfaces have grain sizes and separations of tens of microns, comparable to the wavelengths carrying diagnostic compositional information. This regime is of fundamental interest to remote sensing of planetary and terrestrial surfaces.

  11. Jet-Cooled Infrared Laser Spectroscopy in the Umbrella νb{2} Vibration Region of NH_3: Improving the Potential Energy Surface Model of the NH_3-Ar Van Der Waals Complex

    Science.gov (United States)

    Asselin, Pierre; Jabri, Atef; Potapov, Alexey; Loreau, Jérome; van der Avoird, Ad

    2017-06-01

    Taking advantage of our sensitive laser spectrometer coupled to a pulsed slit jet, we recorded near the νb{2} vibration a series of rovibrational transitions of the NH_3-Ar van der Waals (vdW) complex. These transitions involve in the ground vibrational state several internal rotor states corresponding to the ortho{NH_3} and para{NH_3} spin modifications of the complex. They are labeled by Σ_{a}(j,k), Σ_{s}(j,k), Π_{a}(j,k) and Π_{s}(j,k) where Σ(K=0) and Π(K=1) indicate the projection K of the total rotational angular momentum J on the vdW axis, the superscripts s and a designate a symmetric or antisymmetric NH_3 inversion wave function, and j, k quantum numbers indicate the correlation between the internal-rotor state of the complex and the j, k rotational state of the free NH_3 monomer. Five bands have been identified, only one of which was partly observed before. They include transitions starting from the Σ_{a}(j=0 or j=1) state without any internal angular momentum, consequently they can be assigned from the band contour of a linear-molecule-like K=0, ΔJ=1 transition. The energies and splittings of the rovibrational levels of the νb{2}=1←0 spectrum derived from the analysis of the Π_{s}, Σ_{s}(j=1)← Σ_{a}(j=0), k=0 bands and mostly of the Σ_{s}, Π_{s} and Σ_{a}(j=1)←Σ_{a}(j=1), k=1 bands bring relevant information about the νb{2} dependence of the NH_3-Ar interaction, the rovibrational dynamics of the NH_3-Ar complex and provide a sensitive test of a recently developed 4D potential energy surface that includes explicitly its dependence on the umbrella motion. P. Asselin, Y. Berger, T. R. Huet, R. Motiyenko, L. Margulès, R. J. Hendricks, M. R. Tarbutt, S. Tokunaga, B. Darquié, PCCP 19, 4576 (2017), G. T. Fraser, A.S. Pine and W. A. Kreiner, J. Chem. Phys. 94, 7061 (1991). J. Loreau, J. Liévin, Y. Scribano and A. van der Avoird, J. Chem. Phys. 141, 224303 (2014).

  12. Electron spectroscopy of nanodiamond surface states

    Energy Technology Data Exchange (ETDEWEB)

    Belobrov, P.I.; Bursill, L.A.; Maslakov, K.I.; Dementjev, A.P

    2003-06-15

    Electronic states of nanodiamond (ND) were investigated by PEELS, XPS and CKVV Auger spectra. Parallel electron energy loss spectra (PEELS) show that the electrons inside of ND particles are sp{sup 3} hybridized but there is a surface layer containing distinct hybridized states. The CKVV Auger spectra imply that the HOMO of the ND surface has a shift of 2.5 eV from natural diamond levels of {sigma}{sub p} up to the Fermi level. Hydrogen (H) treatment of natural diamond surface produces a chemical state indistinguishable from that of ND surfaces using CKVV. The ND electronic structure forms {sigma}{sub s}{sup 1}{sigma}{sub p}{sup 2}{pi}{sup 1} surface states without overlapping of {pi}-levels. Surface electronic states, including surface plasmons, as well as phonon-related electronic states of the ND surface are also interesting and may also be important for field emission mechanisms from the nanostructured diamond surface.

  13. Near-infrared spectroscopy can reveal increases in brain activity related to animal-assisted therapy

    OpenAIRE

    Morita, Yuka; Ebara, Fumio; Morita, Yoshimitsu; Horikawa, Etsuo

    2017-01-01

    [Purpose] Previous studies have indicated that animal-assisted therapy can promote recovery of psychological, social, and physiological function in mental disorders. This study was designed as a pilot evaluation of the use of near-infrared spectroscopy to objectively identify changes in brain activity that could mediate the effect of animal-assisted therapy. [Subjects and Methods] The participants were 20 healthy students (10 males and 10 females; age 19?21 years) of the Faculty of Agricultur...

  14. Multivariate Calibration and Model Integrity for Wood Chemistry Using Fourier Transform Infrared Spectroscopy

    OpenAIRE

    Zhou, Chengfeng; Jiang, Wei; Cheng, Qingzheng; Via, Brian K.

    2015-01-01

    This research addressed a rapid method to monitor hardwood chemical composition by applying Fourier transform infrared (FT-IR) spectroscopy, with particular interest in model performance for interpretation and prediction. Partial least squares (PLS) and principal components regression (PCR) were chosen as the primary models for comparison. Standard laboratory chemistry methods were employed on a mixed genus/species hardwood sample set to collect the original data. PLS was found to provide bet...

  15. Underwater near-infrared spectroscopy can measure training adaptations in adolescent swimmers

    OpenAIRE

    Ben Jones; Dave Parry; Chris E. Cooper

    2018-01-01

    The development of an underwater near-infrared spectroscopy (uNIRS) device has enabled previously unattainable measurements of peripheral muscle hemodynamics and oxygenation to be taken within the natural aquatic environment. The purposes of this study were (i) to trial the use of uNIRS, in a real world training study, and (ii) to monitor the effects of a swim training program upon muscle oxygenation status in short distance swimming. A total of 14 junior club level swimmers completed a repea...

  16. Orthostatic leg blood volume changes assessed by near-infrared spectroscopy

    DEFF Research Database (Denmark)

    Truijen, J; Kim, Y S; Krediet, C T P

    2012-01-01

    posture, volume accumulation in small blood vessels contributes significantly to the total fluid volume accumulated in the legs. Considering that near-infrared spectroscopy (NIRS) tracks postural blood volume changes within the small blood vessels of the lower leg, we evaluated the NIRS-determined changes......-linear accumulation of blood volume in the small vessels of the leg, with an initial fast phase followed by a more gradual increase at least partly contributing to the relocation of fluid during orthostatic stress....

  17. Quantitative near-infrared spectroscopy on patients with peripheral vascular disease

    OpenAIRE

    Franceschini, MA; Fantini, S; Palumbo, R; Pasqualini, L; Vaudo, G; Franceschini, E; Gratton, E; Palumbo, B; Innocente, S; Mannarino, E

    1997-01-01

    We have used near-infrared spectroscopy to measure the hemoglobin saturation at rest and during exercise on patients affected by peripheral vascular disease (PVD). The instrument used in our study is a frequency-domain tissue oximeter which employs intensity modulated (110 MHz) laser diodes. We examined 9 subjects, 3 of which were controls and 6 were patients affected by stage II PVD. The optical probe was located on the calf muscle of the subjects. The measurement protocol consisted of: (1) ...

  18. Infrared spectroscopy for studying structure and aging effects in rhamnolipid biosurfactants

    OpenAIRE

    Kiefer, Johannes; Radzuan, Mohd Nazren; Winterburn, James

    2017-01-01

    Biosurfactants are produced by microorganisms and represent amphiphilic compounds with polar and non-polar moieties; hence they can be used to stabilize emulsions, e.g. in the cosmetic and food sectors. Their structure and its changes when exposed to light and elevated temperature are yet to be fully understood. In this study, we demonstrate that attenuated total reflection infrared (ATR-IR) spectroscopy is a useful tool for the analysis of biosurfactants, using rhamnolipids produced by ferme...

  19. Multivariate Calibration Models for Sorghum Composition using Near-Infrared Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wolfrum, E.; Payne, C.; Stefaniak, T.; Rooney, W.; Dighe, N.; Bean, B.; Dahlberg, J.

    2013-03-01

    NREL developed calibration models based on near-infrared (NIR) spectroscopy coupled with multivariate statistics to predict compositional properties relevant to cellulosic biofuels production for a variety of sorghum cultivars. A robust calibration population was developed in an iterative fashion. The quality of models developed using the same sample geometry on two different types of NIR spectrometers and two different sample geometries on the same spectrometer did not vary greatly.

  20. Using infrared thermography for understanding and quantifying soil surface processes

    Science.gov (United States)

    de Lima, João L. M. P.

    2017-04-01

    At present, our understanding of the soil hydrologic response is restricted by measurement limitations. In the literature, there have been repeatedly calls for interdisciplinary approaches to expand our knowledge in this field and eventually overcome the limitations that are inherent to conventional measuring techniques used, for example, for tracing water at the basin, hillslope and even field or plot scales. Infrared thermography is a versatile, accurate and fast technique of monitoring surface temperature and has been used in a variety of fields, such as military surveillance, medical diagnosis, industrial processes optimisation, building inspections and agriculture. However, many applications are still to be fully explored. In surface hydrology, it has been successfully employed as a high spatial and temporal resolution non-invasive and non-destructive imaging tool to e.g. access groundwater discharges into waterbodies or quantify thermal heterogeneities of streams. It is believed that thermal infrared imagery can grasp the spatial and temporal variability of many processes at the soil surface. Thermography interprets the heat signals and can provide an attractive view for identifying both areas where water is flowing or has infiltrated more, or accumulated temporarily in depressions or macropores. Therefore, we hope to demonstrate the potential for thermal infrared imagery to indirectly make a quantitative estimation of several hydrologic processes. Applications include: e.g. mapping infiltration, microrelief and macropores; estimating flow velocities; defining sampling strategies; identifying water sources, accumulation of waters or even connectivity. Protocols for the assessment of several hydrologic processes with the help of IR thermography will be briefly explained, presenting some examples from laboratory soil flumes and field.

  1. Near-infrared-excited confocal Raman spectroscopy advances in vivo diagnosis of cervical precancer.

    Science.gov (United States)

    Duraipandian, Shiyamala; Zheng, Wei; Ng, Joseph; Low, Jeffrey J H; Ilancheran, Arunachalam; Huang, Zhiwei

    2013-06-01

    Raman spectroscopy is a unique optical technique that can probe the changes of vibrational modes of biomolecules associated with tissue premalignant transformation. This study evaluates the clinical utility of confocal Raman spectroscopy over near-infrared (NIR) autofluorescence (AF) spectroscopy and composite NIR AF/Raman spectroscopy for improving early diagnosis of cervical precancer in vivo at colposcopy. A rapid NIR Raman system coupled with a ball-lens fiber-optic confocal Raman probe was utilized for in vivo NIR AF/Raman spectral measurements of the cervix. A total of 1240 in vivo Raman spectra [normal (n=993), dysplasia (n=247)] were acquired from 84 cervical patients. Principal components analysis (PCA) and linear discriminant analysis (LDA) together with a leave-one-patient-out, cross-validation method were used to extract the diagnostic information associated with distinctive spectroscopic modalities. The diagnostic ability of confocal Raman spectroscopy was evaluated using the PCA-LDA model developed from the significant principal components (PCs) [i.e., PC4, 0.0023%; PC5, 0.00095%; PC8, 0.00022%, (p<0.05)], representing the primary tissue Raman features (e.g., 854, 937, 1095, 1253, 1311, 1445, and 1654 cm(-1)). Confocal Raman spectroscopy coupled with PCA-LDA modeling yielded the diagnostic accuracy of 84.1% (a sensitivity of 81.0% and a specificity of 87.1%) for in vivo discrimination of dysplastic cervix. The receiver operating characteristic curves further confirmed that the best classification was achieved using confocal Raman spectroscopy compared to the composite NIR AF/Raman spectroscopy or NIR AF spectroscopy alone. This study illustrates that confocal Raman spectroscopy has great potential to improve early diagnosis of cervical precancer in vivo during clinical colposcopy.

  2. Investigation of carbonates in the Sutter's Mill meteorite grains with hyperspectral infrared imaging micro-spectroscopy

    Science.gov (United States)

    Yesiltas, Mehmet

    2018-04-01

    Synchrotron-based high spatial resolution hyperspectral infrared imaging technique provides thousands of infrared spectra with high resolution, thus allowing us to acquire detailed spatial maps of chemical molecular structures for many grains in short times. Utilizing this technique, thousands of infrared spectra were analyzed at once instead of inspecting each spectrum separately. Sutter's Mill meteorite is a unique carbonaceous type meteorite with highly heterogeneous chemical composition. Multiple grains from the Sutter's Mill meteorite have been studied using this technique and the presence of both hydrous and anhydrous silicate minerals have been observed. It is observed that the carbonate mineralogy varies from simple to more complex carbonates even within a few microns in the meteorite grains. These variations, the type and distribution of calcite-like vs. dolomite-like carbonates are presented by means of hyperspectral FTIR imaging spectroscopy with high resolution. Various scenarios for the formation of different carbonate compositions in the Sutter's Mill parent body are discussed.

  3. Infrared spectroscopy and thermal analysis of prepared cation exchangers from cellulosic materials

    International Nuclear Information System (INIS)

    Nada, A.M.A.; EI-Sherief, S.; Nasr, A.; Kamel, M.

    2005-01-01

    Different cation exchangers were prepared by incorporation of phosphate and sulfate groups into acid or alkali treated wood pulp. The molecular structure of these cation exchangers were followed by infrared spectroscopy and thermal degradation analysis technique. From infrared spectra, a new bands are seen at 1200 and 980 cm-1 in phosphorylated wood pulp due to the formation of C-O-P bond. Another bands were seen at 1400, 1200 and 980 cm-1 in phospho sulfonated wood pulp due to the formation of CO- P and C-O-S bonds. Also, it is seen from infrared spectra that the crystallinity index for acid treated wood pulp has a higher value than untreated and alkali treated wood pulp. On the other hand, the acid treated and phosphorylated acid treated wood pulp have a higher activation energy than untreated and phosphorylated alkali treated wood pulp

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

  5. Surface-enhanced vibrational spectroscopy of B vitamins: what is the effect of SERS-active metals used?

    Science.gov (United States)

    Kokaislová, A; Matějka, P

    2012-05-01

    Surface-enhanced Raman scattering (SERS) spectroscopy and surface-enhanced infrared absorption (SEIRA) spectroscopy are analytical tools suitable for the detection of small amounts of various analytes adsorbed on metal surfaces. During recent years, these two spectroscopic methods have become increasingly important in the investigation of adsorption of biomolecules and pharmaceuticals on nanostructured metal surfaces. In this work, the adsorption of B-group vitamins pyridoxine, nicotinic acid, folic acid and riboflavin at electrochemically prepared gold and silver substrates was investigated using Fourier transform SERS spectroscopy at an excitation wavelength of 1,064 nm. Gold and silver substrates were prepared by cathodic reduction on massive platinum targets. In the case of gold substrates, oxidation-reduction cycles were applied to increase the enhancement factor of the gold surface. The SERS spectra of riboflavin, nicotinic acid, folic acid and pyridoxine adsorbed on silver substrates differ significantly from SERS spectra of these B-group vitamins adsorbed on gold substrates. The analysis of near-infrared-excited SERS spectra reveals that each of B-group vitamin investigated interacts with the gold surface via a different mechanism of adsorption to that with the silver surface. In the case of riboflavin adsorbed on silver substrate, the interpretation of surface-enhanced infrared absorption (SEIRA) spectra was also helpful in investigation of the adsorption mechanism.

  6. Noncontact blood species identification method based on spatially resolved near-infrared transmission spectroscopy

    Science.gov (United States)

    Zhang, Linna; Sun, Meixiu; Wang, Zhennan; Li, Hongxiao; Li, Yingxin; Li, Gang; Lin, Ling

    2017-09-01

    The inspection and identification of whole blood are crucially significant for import-export ports and inspection and quarantine departments. In our previous research, we proved Near-Infrared diffuse transmitted spectroscopy method was potential for noninvasively identifying three blood species, including macaque, human and mouse, with samples measured in the cuvettes. However, in open sampling cases, inspectors may be endangered by virulence factors in blood samples. In this paper, we explored the noncontact measurement for classification, with blood samples measured in the vacuum blood vessels. Spatially resolved near-infrared spectroscopy was used to improve the prediction accuracy. Results showed that the prediction accuracy of the model built with nine detection points was more than 90% in identification between all five species, including chicken, goat, macaque, pig and rat, far better than the performance of the model built with single-point spectra. The results fully supported the idea that spatially resolved near-infrared spectroscopy method can improve the prediction ability, and demonstrated the feasibility of this method for noncontact blood species identification in practical applications.

  7. Near-infrared spectroscopy and microstructure of the scales of Sabethes ( Sabethes albiprivus (Diptera: Culicidae

    Directory of Open Access Journals (Sweden)

    Betina Westphal-Ferreira

    Full Text Available ABSTRACT Near-infrared spectroscopy and microstructure of the scales of Sabethes (Sabethes albiprivus (Diptera: Culicidae. Sabethes (Sabethes albiprivus Theobald individuals vary considerably in size and color of the reflections of the scales on their thorax, abdomen, antepronotal lobes and occiput. The goal of this study was to investigate and to characterize the differences in the color of the scales among preserved specimens and to analyze the differences in the microstructures of the scales that cover their bodies using near-infrared spectroscopy, and to evaluate whether the latter is efficient in distinguishing the populations. A total of 201 adult females were analyzed for the characterization of color patterns. In addition, absorbance spectra and scanning electron microscope images were obtained from them. As a result of color analysis, two variations were identified, one represented by specimens with yellow or green scales and the other with blue or purple scales. The same two variations were corroborated using NIRS. Analysis of the microstructure of the scales lining the mesonotum, occiput and antepronotal lobes resulted in the same variations. The three methodologies, near-infrared spectroscopy, scanning electron microscopy and coloration of the reflections of the scales revealed two variations within Sa. albiprivus.

  8. BACKGROUND AND STATE OF THEE ART OF NEAR INFRARED SPECTROSCOPY IN THE FOREST SECTOR BASE

    Directory of Open Access Journals (Sweden)

    Graciela Inês Bolzon de Muñiz

    2012-12-01

    Full Text Available http://dx.doi.org/10.5902/198050987567The knowledge of wood properties is the fundamental importance for the indication of the potential and use of this material. In the search for new alternatives for a fast, simple and reliable characterization, there are the non-destructive evaluations of wood. The near infrared spectroscopy (NIRS has been used as a non-destructive method that allows qualitative and quantitative information of the constituents of biomass through the interaction of electromagnetic waves with near-infrared next to the sample. This work aims to provide a review of the technique of near infrared spectroscopy and its application in forestry. The technique is used in virtually all areas due to the level of development that this technology has reached in recent years. NIR spectroscopy has proved a quick and efficient replacement of several tests that determine the quality of the wood. This is a literature review and state of the art on the theme.

  9. Towards a low-cost mobile subcutaneous vein detection solution using near-infrared spectroscopy.

    Science.gov (United States)

    Juric, Simon; Flis, Vojko; Debevc, Matjaz; Holzinger, Andreas; Zalik, Borut

    2014-01-01

    Excessive venipunctures are both time- and resource-consuming events, which cause anxiety, pain, and distress in patients, or can lead to severe harmful injuries. We propose a low-cost mobile health solution for subcutaneous vein detection using near-infrared spectroscopy, along with an assessment of the current state of the art in this field. The first objective of this study was to get a deeper overview of the research topic, through the initial team discussions and a detailed literature review (using both academic and grey literature). The second objective, that is, identifying the commercial systems employing near-infrared spectroscopy, was conducted using the PubMed database. The goal of the third objective was to identify and evaluate (using the IEEE Xplore database) the research efforts in the field of low-cost near-infrared imaging in general, as a basis for the conceptual model of the upcoming prototype. Although the reviewed commercial devices have demonstrated usefulness and value for peripheral veins visualization, other evaluated clinical outcomes are less conclusive. Previous studies regarding low-cost near-infrared systems demonstrated the general feasibility of developing cost-effective vein detection systems; however, their limitations are restricting their applicability to clinical practice. Finally, based on the current findings, we outline the future research direction.

  10. Towards a Low-Cost Mobile Subcutaneous Vein Detection Solution Using Near-Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Simon Juric

    2014-01-01

    Full Text Available Excessive venipunctures are both time- and resource-consuming events, which cause anxiety, pain, and distress in patients, or can lead to severe harmful injuries. We propose a low-cost mobile health solution for subcutaneous vein detection using near-infrared spectroscopy, along with an assessment of the current state of the art in this field. The first objective of this study was to get a deeper overview of the research topic, through the initial team discussions and a detailed literature review (using both academic and grey literature. The second objective, that is, identifying the commercial systems employing near-infrared spectroscopy, was conducted using the PubMed database. The goal of the third objective was to identify and evaluate (using the IEEE Xplore database the research efforts in the field of low-cost near-infrared imaging in general, as a basis for the conceptual model of the upcoming prototype. Although the reviewed commercial devices have demonstrated usefulness and value for peripheral veins visualization, other evaluated clinical outcomes are less conclusive. Previous studies regarding low-cost near-infrared systems demonstrated the general feasibility of developing cost-effective vein detection systems; however, their limitations are restricting their applicability to clinical practice. Finally, based on the current findings, we outline the future research direction.

  11. Gasoline classification using near infrared (NIR) spectroscopy data: Comparison of multivariate techniques

    International Nuclear Information System (INIS)

    Balabin, Roman M.; Safieva, Ravilya Z.; Lomakina, Ekaterina I.

    2010-01-01

    Near infrared (NIR) spectroscopy is a non-destructive (vibrational spectroscopy based) measurement technique for many multicomponent chemical systems, including products of petroleum (crude oil) refining and petrochemicals, food products (tea, fruits, e.g., apples, milk, wine, spirits, meat, bread, cheese, etc.), pharmaceuticals (drugs, tablets, bioreactor monitoring, etc.), and combustion products. In this paper we have compared the abilities of nine different multivariate classification methods: linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), regularized discriminant analysis (RDA), soft independent modeling of class analogy (SIMCA), partial least squares (PLS) classification, K-nearest neighbor (KNN), support vector machines (SVM), probabilistic neural network (PNN), and multilayer perceptron (ANN-MLP) - for gasoline classification. Three sets of near infrared (NIR) spectra (450, 415, and 345 spectra) were used for classification of gasolines into 3, 6, and 3 classes, respectively, according to their source (refinery or process) and type. The 14,000-8000 cm -1 NIR spectral region was chosen. In all cases NIR spectroscopy was found to be effective for gasoline classification purposes, when compared with nuclear magnetic resonance (NMR) spectroscopy or gas chromatography (GC). KNN, SVM, and PNN techniques for classification were found to be among the most effective ones. Artificial neural network (ANN-MLP) approach based on principal component analysis (PCA), which was believed to be efficient, has shown much worse results. We hope that the results obtained in this study will help both further chemometric (multivariate data analysis) investigations and investigations in the sphere of applied vibrational (infrared/IR, near-IR, and Raman) spectroscopy of sophisticated multicomponent systems.

  12. Gasoline classification using near infrared (NIR) spectroscopy data: Comparison of multivariate techniques

    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); Safieva, Ravilya Z. [Gubkin Russian State University of Oil and Gas, 119991 Moscow (Russian Federation); Lomakina, Ekaterina I. [Faculty of Computational Mathematics and Cybernetics, Lomonosov Moscow State University, 119992 Moscow (Russian Federation)

    2010-06-25

    Near infrared (NIR) spectroscopy is a non-destructive (vibrational spectroscopy based) measurement technique for many multicomponent chemical systems, including products of petroleum (crude oil) refining and petrochemicals, food products (tea, fruits, e.g., apples, milk, wine, spirits, meat, bread, cheese, etc.), pharmaceuticals (drugs, tablets, bioreactor monitoring, etc.), and combustion products. In this paper we have compared the abilities of nine different multivariate classification methods: linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), regularized discriminant analysis (RDA), soft independent modeling of class analogy (SIMCA), partial least squares (PLS) classification, K-nearest neighbor (KNN), support vector machines (SVM), probabilistic neural network (PNN), and multilayer perceptron (ANN-MLP) - for gasoline classification. Three sets of near infrared (NIR) spectra (450, 415, and 345 spectra) were used for classification of gasolines into 3, 6, and 3 classes, respectively, according to their source (refinery or process) and type. The 14,000-8000 cm{sup -1} NIR spectral region was chosen. In all cases NIR spectroscopy was found to be effective for gasoline classification purposes, when compared with nuclear magnetic resonance (NMR) spectroscopy or gas chromatography (GC). KNN, SVM, and PNN techniques for classification were found to be among the most effective ones. Artificial neural network (ANN-MLP) approach based on principal component analysis (PCA), which was believed to be efficient, has shown much worse results. We hope that the results obtained in this study will help both further chemometric (multivariate data analysis) investigations and investigations in the sphere of applied vibrational (infrared/IR, near-IR, and Raman) spectroscopy of sophisticated multicomponent systems.

  13. Discrimination of wild-growing and cultivated Lentinus edodes by tri-step infrared spectroscopy

    Science.gov (United States)

    Lin, Haojian; Liu, Gang; Yang, Weimei; An, Ran; Ou, Quanhong

    2018-01-01

    It's not easy to discriminate dried wild-growing Lentinus edodes (WL) and cultivated Lentinus edodes (CL) by conventional method based on the morphological inspection of fruiting bodies. In this paper, fruiting body samples of WL and CL are discriminated by a tri-step IR spectroscopy method, including Fourier transform infrared (FT-IR) spectroscopy, second derivatives infrared (SD-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy under thermal perturbation. The results show that the FT-IR spectra of WL and CL are similar in holistic spectral profile. More significant differences are exhibited in their SD-IR spectra in the range of 1700 - 900 cm-1. Furthermore, more evident differences have been observed in their synchronous 2D-IR spectra in the range of 2970 - 2900, 1678 - 1390, 1250 -1104 and 1090 - 1030 cm-1. The CL has thirteen auto-peaks at 2958, 2921, 1649, 1563, 1450, 1218, 1192, 1161, 1140, 1110, 1082, 1065 and 1047 cm-1, in which the four strongest auto-peaks are at 2921, 1563, 1192 and 1082 cm-1. The WL shows fifteen auto-peaks at 2960, 2937, 2921, 1650, 1615, 1555, 1458, 1219, 1190, 1138, 1111, 1084, 1068, 1048 and 1033 cm-1, in which the four strongest auto-peaks are at 2921, 1650, 1190 and 1068 cm-1. This study shows the potential of FT-IR spectroscopy and 2D correlation analysis in a simple and quick distinction of wild-growing and cultivated mushrooms.

  14. Application of nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy, UV-Visible spectroscopy and kinetic modeling for elucidation of adsorption chemistry in uptake of tetracycline by zeolite beta.

    Science.gov (United States)

    Kang, Jin; Liu, Huijuan; Zheng, Yu-Ming; Qu, Jiuhui; Chen, J Paul

    2011-02-01

    Extensive usage of tetracycline has resulted in its contamination in surface water and groundwater. The adsorption of tetracycline on zeolite beta was systematically investigated for the decontamination of the antibiotic polluted water in this study. Ninety percent of uptake by the zeolite beta occured in 0.25h, and the adsorption equilibrium was obtained within 3h, which was well described by an intraparticle diffusion model. The adsorption generally increased when pH was increased from 4.0 to 5.0, and then decreased significantly as the pH was further increased, which was caused by the pH-dependent speciation of tetracycline and surface charge of zeolite beta. Both Freundlich and Langmuir equations well described the adsorption isotherm. A thermodynamic analysis showed that the sorption process was spontaneous and endothermic. Aluminum atoms in the zeolite played a crucial role in the uptake; the adsorption increased with the increasing aluminum content in zeolite. The UV-Visible spectroscopy study showed that the spectra of tetracycline changed upon the interaction with zeolite beta, which could be ascribed to the formation of complexes of tetracycline and aluminum atoms in the zeolite surface. Nuclear magnetic resonance spectroscopy study further confirmed the participation of Al in the tetracycline adsorption. Fourier transform infrared spectroscopy studies showed that the amino functional groups in tetracycline were involved in the complexation with the zeolite surface. Copyright © 2010 Elsevier Inc. All rights reserved.

  15. High-Density Infrared Surface Treatments of Refractories

    Energy Technology Data Exchange (ETDEWEB)

    Tiegs, T.N.

    2005-03-31

    Refractory materials play a crucial role in all energy-intensive industries and are truly a crosscutting technology for the Industries of the Future (IOF). One of the major mechanisms for the degradation of refractories and a general decrease in their performance has been the penetration and corrosion by molten metals or glass. Methods and materials that would reduce the penetration, wetting, and corrosive chemistry would significantly improve refractory performance and also maintain the quality of the processed liquid, be it metal or glass. This report presents the results of an R&D project aimed at investigating the use of high-density infrared (HDI) heating to surface treat refractories to improve their performance. The project was a joint effort between Oak Ridge National Laboratory (ORNL) and the University of Missouri-Rolla (UMR). HDI is capable of heating the near-surface region of materials to very high temperatures where sintering, diffusion, and melting can occur. The intended benefits of HDI processing of refractories were to (1) reduce surface porosity (by essentially sealing the surface to prevent liquid penetration), (2) allow surface chemistry changes to be performed by bonding an adherent coating onto the underlying refractory (in order to inhibit wetting and/or improve corrosion resistance), and (3) produce noncontact refractories with high-emissivity surface coatings.

  16. Surface enhanced raman spectroscopy on chip

    DEFF Research Database (Denmark)

    Hübner, Jörg; Anhøj, Thomas Aarøe; Zauner, Dan

    2007-01-01

    In this paper we report low resolution surface enhanced Raman spectra (SERS) conducted with a chip based spectrometer. The flat field spectrometer presented here is fabricated in SU-8 on silicon, showing a resolution of around 3 nm and a free spectral range of around 100 nm. The output facet...... is projected onto a CCD element and visualized by a computer. To enhance the otherwise rather weak Raman signal, a nanosurface is prepared and a sample solutions is impregnated on this surface. The surface enhanced Raman signal is picked up using a Raman probe and coupled into the spectrometer via an optical...... fiber. The obtained spectra show that chip based spectrometer together with the SERS active surface can be used as Raman sensor....

  17. Engineering Plasmonic Nanopillar Arrays for Surface-enhanced Raman Spectroscopy

    DEFF Research Database (Denmark)

    Wu, Kaiyu

    This Ph.D. thesis presents (i) an in-depth understanding of the localized surface plasmon resonances (LSPRs) in the nanopillar arrays (NPs) for surface-enhanced Raman spectroscopy (SERS), and (ii) systematic ways of optimizing the fabrication process of NPs to improve their SERS efficiencies. Thi...

  18. High resolution spectroscopy of six SOCl2 isotopologues from the microwave to the far-infrared

    Science.gov (United States)

    Martin-Drumel, M. A.; Roucou, A.; Brown, G. G.; Thorwirth, S.; Pirali, O.; Mouret, G.; Hindle, F.; McCarthy, M. C.; Cuisset, A.

    2016-02-01

    Despite its potential role as an atmospheric pollutant, thionyl chloride, SOCl2, remains poorly characterized in the gas phase. In this study, the pure rotational and ro-vibrational spectra of six isotopologues of this molecule, all detected in natural abundance, have been extensively studied from the cm-wave band to the far-infrared region by means of three complementary techniques: chirped-pulse Fourier transform microwave spectroscopy, sub-millimeter-wave spectroscopy using frequency multiplier chain, and synchrotron-based far-infrared spectroscopy. Owing to the complex line pattern which results from two nuclei with non-zero spins, new, high-level quantum-chemical calculations of the hyperfine structure played a crucial role in the spectroscopic analysis. From the combined experimental and theoretical work, an accurate semi-experimental equilibrium structure (reSE) of SOCl2 has been derived. With the present data, spectroscopy-based methods can now be applied with confidence to detect and monitor this species, either by remote sensing or in situ.

  19. Detecting adulterants in milk with lower cost mid-infrared and Raman spectroscopy

    Science.gov (United States)

    Lee, Changwon; Wang, Wenbo; Wilson, Benjamin K.; Connett, Marie; Keller, Matthew D.

    2018-02-01

    Adulteration of milk for economic gains is a widespread issue throughout the developing world that can have far-reaching health and nutritional impacts. Milk analysis technologies, such as infrared spectroscopy, can screen for adulteration, but the cost of these technologies has prohibited their use in low resource settings. Recent developments in infrared and Raman spectroscopy hardware have led to commercially available low-cost devices. In this work, we evaluated the performance of two such spectrometers in detecting and quantifying the presence of milk adulterants. Five common adulterants - ammonium sulfate, melamine, sodium bicarbonate, sucrose, and urea, were spiked into five different raw cow and goat milk samples at different concentrations. Collected MIR and Raman spectra were analyzed using partial least squares regression. The limit of detection (LOD) for each adulterant was determined to be in the range of 0.04 to 0.28% (400 to 2800 ppm) using MIR spectroscopy. Raman spectroscopy showed similar LOD's for some of the adulterants, notably those with strong amine group signals, and slightly higher LOD's (up to 1.0%) for other molecules. Overall, the LODs were comparable to other spectroscopic milk analyzers on the market, and they were within the economically relevant concentration range of 100 to 4000 ppm. These lower cost spectroscopic devices therefore appear to hold promise for use in low resource settings.

  20. Nondestructive determination of nutritional information in oilseed rape leaves using visible/near infrared spectroscopy and multivariate calibrations

    NARCIS (Netherlands)

    Liu Fei, [No Value; Nie PengCheng, [No Value; Huang Min, [No Value; Kong WenWen, [No Value; He Yong, [No Value

    Nitrogen, phosphorus and potassium content are the three most important nutritional parameters for growing oilseed rape. We investigated visible and near infrared (Vis/NIR) spectroscopy combined with chemometrics for the fast and nondestructive determination of nutritional information in oilseed

  1. Identification and characterization of salmonella serotypes using DNA spectral characteristics by fourier transform infrared (FT-IR) spectroscopy

    Science.gov (United States)

    Analysis of DNA samples of Salmonella serotypes (Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky) were performed using Fourier transform infrared spectroscopy (FT-IR) spectrometer by placing directly in contact with a diamond attenua...

  2. Determination of protein concentration in raw milk by mid-infrared fourier transform infrared/attenuated total reflectance spectroscopy.

    Science.gov (United States)

    Etzion, Y; Linker, R; Cogan, U; Shmulevich, I

    2004-09-01

    This study investigates the potential use of attenuated total reflectance spectroscopy in the mid-infrared range for determining protein concentration in raw cow milk. The determination of protein concentration is based on the characteristic absorbance of milk proteins, which includes 2 absorbance bands in the 1500 to 1700 cm(-1) range, known as the amide I and amide II bands, and absorbance in the 1060 to 1100 cm(-1) range, which is associated with phosphate groups covalently bound to casein proteins. To minimize the influence of the strong water band (centered around 1640 cm(-1)) that overlaps with the amide I and amide II bands, an optimized automatic procedure for accurate water subtraction was applied. Following water subtraction, the spectra were analyzed by 3 methods, namely simple band integration, partial least squares (PLS) and neural networks. For the neural network models, the spectra were first decomposed by principal component analysis (PCA), and the neural network inputs were the spectra principal components scores. In addition, the concentrations of 2 constituents expected to interact with the protein (i.e., fat and lactose) were also used as inputs. These approaches were tested with 235 spectra of standardized raw milk samples, corresponding to 26 protein concentrations in the 2.47 to 3.90% (weight per volume) range. The simple integration method led to very poor results, whereas PLS resulted in prediction errors of about 0.22% protein. The neural network approach led to prediction errors of 0.20% protein when based on PCA scores only, and 0.08% protein when lactose and fat concentrations were also included in the model. These results indicate the potential usefulness of Fourier transform infrared/attenuated total reflectance spectroscopy for rapid, possibly online, determination of protein concentration in raw milk.

  3. Geographical traceability of Marsdenia tenacissima by Fourier transform infrared spectroscopy and chemometrics

    Science.gov (United States)

    Li, Chao; Yang, Sheng-Chao; Guo, Qiao-Sheng; Zheng, Kai-Yan; Wang, Ping-Li; Meng, Zhen-Gui

    2016-01-01

    A combination of Fourier transform infrared spectroscopy with chemometrics tools provided an approach for studying Marsdenia tenacissima according to its geographical origin. A total of 128 M. tenacissima samples from four provinces in China were analyzed with FTIR spectroscopy. Six pattern recognition methods were used to construct the discrimination models: support vector machine-genetic algorithms, support vector machine-particle swarm optimization, K-nearest neighbors, radial basis function neural network, random forest and support vector machine-grid search. Experimental results showed that K-nearest neighbors was superior to other mathematical algorithms after data were preprocessed with wavelet de-noising, with a discrimination rate of 100% in both the training and prediction sets. This study demonstrated that FTIR spectroscopy coupled with K-nearest neighbors could be successfully applied to determine the geographical origins of M. tenacissima samples, thereby providing reliable authentication in a rapid, cheap and noninvasive way.

  4. Infrared beam-steering using acoustically modulated surface plasmons over a graphene monolayer

    KAUST Repository

    Chen, Paiyen; Farhat, Mohamed; Askarpour, Amir Nader; Tymchenko, Mykhailo; Alù , Andrea

    2014-01-01

    We model and design a graphene-based infrared beamformer based on the concept of leaky-wave (fast traveling wave) antennas. The excitation of infrared surface plasmon polaritons (SPPs) over a 'one-atom-thick' graphene monolayer is typically

  5. Electron-electron coincidence spectroscopies at surfaces

    International Nuclear Information System (INIS)

    Stefani, G.; Iacobucci, S.; Ruocco, A.; Gotter, R.

    2002-01-01

    In the past 20 years, a steadily increasing number of electron-electron coincidence experiments on atoms and molecules have contributed to a deeper understanding of electron-electron correlation effects. In more recent years this technique has been extended to the study of solid surfaces. This class of one photon IN two electrons OUT experiments will be discussed with an emphasis on grazing incidence geometry, that is expected to be particularly suited for studying surfaces. The crucial question of which is the dominant mechanism that leads to ejection of pairs of electron from the surface will be addressed. It will be shown that, depending on the kinematics chosen, the correlated behaviour of the pairs of electrons detected might be singled out from independent particle one

  6. Far-infrared reflection-absorption spectroscopy of amorphous and polycrystalline gallium arsenide films

    International Nuclear Information System (INIS)

    Gregory, J.R.

    1992-01-01

    We have reported far-infrared reflection absorption spectra (30-320CM -1 ) at 30 and 310K for nine films of non-stoichiometric GaAs. The FIRRAS measurements were performed using the grazing incidence FIR double-modulation spectroscopy technique first described by DaCosta and Coleman. The films were fabricated by molecular beam deposition on metallized substrates for two As/Ga molecular beam flux ratios. The films were characterized by depth profilometry, IRAS, XRD, and x-ray microprobe analysis. Film thicknesses ranged from 800 to 5800 angstrom and compositions were 45-50% As for a MB flux ratio of 0.29 and 60-70% As for a ratio of 1.12. FIRRAS measurements were made and characterizations performed for as-deposited films and for 5 hour anneals at 473, 573, 673 and 723 degrees C. Vibrational spectra of the crystallized films were interpreted in terms of the exact reflectivity of a thin dielectric film on a conducting substrate, using a classical Lorentzian dielectric function for the response of the film. Resonances appearing in the open-quote forbidden close-quote region between the TO and LO frequencies were modelled with an effective medium approximation and are interpreted as arising from small-scale surface roughness. The behavior of the amorphous film spectra were examined within two models. The effective force constant model describes the variation of the reflection-absorption maxima with measured crystallite size in terms of the effective vibration frequency of 1-D atomic chains having force constants distributed according to the parameters of the crystalline-to-amorphous relaxation length and the crystalline to amorphous force constant ratio. The dielectric function continuum model uses the relaxation of the crystal momentum selection rule to calculate the reflection-absorption spectrum based on a dielectric function in which the oscillator strength is the normalized product of a constant dipole strength and the smoothed vibrational density of states

  7. Near Infrared Spectroscopy Facilitates Rapid Identification of Both Young and Mature Amazonian Tree Species.

    Science.gov (United States)

    Lang, Carla; Costa, Flávia Regina Capellotto; Camargo, José Luís Campana; Durgante, Flávia Machado; Vicentini, Alberto

    2015-01-01

    Precise identification of plant species requires a high level of knowledge by taxonomists and presence of reproductive material. This represents a major limitation for those working with seedlings and juveniles, which differ morphologically from adults and do not bear reproductive structures. Near-infrared spectroscopy (FT-NIR) has previously been shown to be effective in species discrimination of adult plants, so if young and adults have a similar spectral signature, discriminant functions based on FT-NIR spectra of adults can be used to identify leaves from young plants. We tested this with a sample of 419 plants in 13 Amazonian species from the genera Protium and Crepidospermum (Burseraceae). We obtained 12 spectral readings per plant, from adaxial and abaxial surfaces of dried leaves, and compared the rate of correct predictions of species with discriminant functions for different combinations of readings. We showed that the best models for predicting species in early developmental stages are those containing spectral data from both young and adult plants (98% correct predictions of external samples), but even using only adult spectra it is still possible to attain good levels of identification of young. We obtained an average of 75% correct identifications of young plants by discriminant equations based only on adults, when the most informative wavelengths were selected. Most species were accurately predicted (75-100% correct identifications), and only three had poor predictions (27-60%). These results were obtained despite the fact that spectra of young individuals were distinct from those of adults when species were analyzed individually. We concluded that FT-NIR has a high potential in the identification of species even at different ontogenetic stages, and that young plants can be identified based on spectra of adults with reasonable confidence.

  8. Noninvasive determination of language dominance using functional MRI and near-infrared spectroscopy

    International Nuclear Information System (INIS)

    Ota, Takahiro; Kamada, Kyousuke; Saito, Nobuhito

    2009-01-01

    Identification of the language dominant hemisphere is important in cases necessary for partial encephalotomy due to epilepsy and tumor. Functional MRI (fMRI) essentially detects oxy-Hb/deoxy-Hb ratio in the brain region resulted from blood flow change and near-infrared spectroscopy (NIRS), the Hb level change in the tissue, in which the image can be detected by light-receiving proves of NIR-light (780-1500 nm wavelength) irradiated and passed through the tissues. This paper describes the comparison of the two methods for determination of language dominance with reference to that identified by Wada test, a gold standard but inconvenient for both operators and patients. Subjects are 11 brain tumor and 11 epilepsy patients (M 10/F 12, av. age of 36.7 y, 19 right-handed), whose dominances are successfully determined previously by Wada test. fMRI is conducted with 3T machine (General Electric, USA) with phased-array coil in patients receiving various language tasks, and data are processed by Dr. View (Asahi Kasei) to calculate the laterality index for the dominance. NIRS is conducted with Hitachi-Medico ETG-4000 with 695 and 830 nm IR in patients receiving other different language tasks, on whose frontotemporal region of head surface 12-channel probes are equipped. Data are processed by the equipped software to calculate the difference of oxy-Hb change rates between the two hemispheres for the dominance determination. Consistency of fMRI in determining the dominance with Wada test is found 86.3% and of NIRS, 72.7%, which suggests the latter can be only supplementary to the former. However, NIRS is noted to be useful in atypical cases like those with right or bilateral dominance. (K.T.)

  9. Characterization of polymer surface structure and surface mechanical behaviour by sum frequency generation surface vibrational spectroscopy and atomic force microscopy

    International Nuclear Information System (INIS)

    Opdahl, Aric; Koffas, Telly S; Amitay-Sadovsky, Ella; Kim, Joonyeong; Somorjai, Gabor A

    2004-01-01

    Sum frequency generation (SFG) vibrational spectroscopy and atomic force microscopy (AFM) have been used to study polymer surface structure and surface mechanical behaviour, specifically to study the relationships between the surface properties of polymers and their bulk compositions and the environment to which the polymer is exposed. The combination of SFG surface vibrational spectroscopy and AFM has been used to study surface segregation behaviour of polyolefin blends at the polymer/air and polymer/solid interfaces. SFG surface vibrational spectroscopy and AFM experiments have also been performed to characterize the properties of polymer/liquid and polymer/polymer interfaces, focusing on hydrogel materials. A method was developed to study the surface properties of hydrogel contact lens materials at various hydration conditions. Finally, the effect of mechanical stretching on the surface composition and surface mechanical behaviour of phase-separated polyurethanes, used in biomedical implant devices, has been studied by both SFG surface vibrational spectroscopy and AFM. (topical review)

  10. Tunneling spectroscopy on semiconductors with a low surface state density

    OpenAIRE

    Sommerhalter, Christof; Matthes, Thomas W.; Boneberg, Johannes; Leiderer, Paul; Lux-Steiner, Martha Christina

    1997-01-01

    A detailed study of tunneling spectroscopy concerning semiconductors with a low surface state density is presented. For this purpose, I V curves under dark conditions and under illumination were measured on the (0001) van der Waals surface of a p-type WS2 single crystal, which is known to be free of intrinsic surface states. The measurements are interpreted by an analytical one-dimensional metal-insulator-semiconductor model, which shows that the presence of the finite tunneling current has ...

  11. spectroscopy

    African Journals Online (AJOL)

    Aghomotsegin

    2015-10-14

    Oct 14, 2015 ... characterized by using phenotypic, API and Fourier transform infrared (FTIR) spectroscopy methods. One hundred and fifty-seven (157) strains were isolated from 13 cheese samples, and identification test was performed for 83 strains. At the end of the study, a total of 22 Lactococcus sp., 36 Enterecoccus ...

  12. The applicability of Fourier transform infrared (FT-IR) spectroscopy in waste management

    International Nuclear Information System (INIS)

    Smidt, Ena; Meissl, Katharina

    2007-01-01

    State and stability or reactivity of waste materials are important properties that must be determined to obtain information about the future behavior and the emission potential of the materials. Different chemical and biological parameters are used to describe the stage of organic matter in waste materials. Fourier transform infrared spectroscopy provides information about the chemistry of waste materials in a general way. Several indicator bands that are referred to functional groups represent components or metabolic products. Their presence and intensity or their absence shed light on the phase of degradation or stabilization. The rapid assessment of the stage of organic matter decomposition is a very important field of application. Therefore, infrared spectroscopy is an appropriate tool for process and quality control, for the assessment of abandoned landfills and for checking of the successful landfill remediation. A wide range of applications are presented in this study for different waste materials. Progressing stages of a typical yard/kitchen waste composting process are shown. The fate of anaerobically 'stabilized' leftovers in a subsequent liquid aerobic process is revealed by spectroscopic characteristics. A compost that underwent the biological stabilization process is distinguished from a 'substrate' that comprises immature biogenic waste mixed with mineral compounds. Infrared spectra of freeze-dried leachate from untreated and aerated landfill material prove the effect of the aerobic treatment during 10 weeks in laboratory-scale experiments

  13. Quantitative Determination of Germinability of Puccinia striiformis f. sp. tritici Urediospores Using Near Infrared Spectroscopy Technology

    Directory of Open Access Journals (Sweden)

    Yaqiong Zhao

    2015-01-01

    Full Text Available Stripe rust caused by Puccinia striiformis f. sp. tritici (Pst is an important disease on wheat. In this study, quantitative determination of germinability of Pst urediospores was investigated by using near infrared reflectance spectroscopy (NIRS combined with quantitative partial least squares (QPLS and support vector regression (SVR. The near infrared spectra of the urediospore samples were acquired using FT-NIR MPA spectrometer and the germination rate of each sample was measured using traditional spore germination method. The best QPLS model was obtained with vector correction as the preprocessing method of the original spectra and 4000–12000 cm−1 as the modeling spectral region while the modeling ratio of the training set to the testing set was 4 : 1. The best SVR model was built when vector normalization was used as the preprocessing method, the modeling ratio was 5 : 1 and the modeling spectral region was 8000–11000 cm−1. The results showed that the effect of the best model built using QPLS or SVR was satisfactory. This indicated that quantitative determination of germinability of Pst urediospores using near infrared spectroscopy technology is feasible. A new method based on NIRS was provided for rapid, automatic, and nondestructive determination of germinability of Pst urediospores.

  14. From Selenium- to Tellurium-Based Glass Optical Fibers for Infrared Spectroscopies

    Directory of Open Access Journals (Sweden)

    Jacques Lucas

    2013-05-01

    Full Text Available Chalcogenide glasses are based on sulfur, selenium and tellurium elements, and have been studied for several decades regarding different applications. Among them, selenide glasses exhibit excellent infrared transmission in the 1 to 15 µm region. Due to their good thermo-mechanical properties, these glasses could be easily shaped into optical devices such as lenses and optical fibers. During the past decade of research, selenide glass fibers have been proved to be suitable for infrared sensing in an original spectroscopic method named Fiber Evanescent Wave Spectroscopy (FEWS. FEWS has provided very nice and promising results, for example for medical diagnosis. Then, some sophisticated fibers, also based on selenide glasses, were developed: rare-earth doped fibers and microstructured fibers. In parallel, the study of telluride glasses, which can have transmission up to 28 µm due to its atom heaviness, has been intensified thanks to the DARWIN mission led by the European Space Agency (ESA. The development of telluride glass fiber enables a successful observation of CO2 absorption band located around 15 µm. In this paper we review recent results obtained in the Glass and Ceramics Laboratory at Rennes on the development of selenide to telluride glass optical fibers, and their use for spectroscopy from the mid to the far infrared ranges.

  15. Sequence-Dependent Mechanism of DNA Oligonucleotide Dehybridization Resolved through Infrared Spectroscopy.

    Science.gov (United States)

    Sanstead, Paul J; Stevenson, Paul; Tokmakoff, Andrei

    2016-09-14

    Despite its important role in biology and nanotechnology, many questions remain regarding the molecular mechanism and dynamics by which oligonucleotides recognize and hybridize to their complementary sequence. The thermodynamics and kinetics of DNA oligonucleotide hybridization and dehybridization are often assumed to involve an all-or-nothing two-state dissociation pathway, but deviations from this behavior can be considerable even for short sequences. We introduce a new strategy to characterize the base-pair-specific thermal dissociation mechanism of DNA oligonucleotides through steady-state and time-resolved infrared spectroscopy. Experiments are interpreted with a lattice model to provide a structure-specific interpretation. This method is applied to a model set of self-complementary 10-base-pair sequences in which the placement of GC base pairs is varied in an otherwise AT strand. Through a combination of Fourier transform infrared and two-dimensional infrared spectroscopy, experiments reveal varying degrees of deviation from simple two-state behavior. As the temperature is increased, duplexes dissociate through a path in which the terminal bases fray, without any significant contribution from loop configurations. Transient temperature jump experiments reveal time scales of 70-100 ns for fraying and 10-30 μs for complete dissociation near the melting temperature. Whether or not frayed states are metastable intermediates or short-lived configurations during the full dissociation of the duplex is dictated by the nucleobase sequence.

  16. Second harmonic generation spectroscopy on Si surfaces and interfaces

    DEFF Research Database (Denmark)

    Pedersen, Kjeld

    2010-01-01

    Optical second harmonic generation (SHG) spectroscopy studies of Si(111) surfaces and interfaces are reviewed for two types of systems: (1) clean 7 x 7 and root 3 x root 3-Ag reconstructed surfaces prepared under ultra-high vacuum conditions where surface states are excited and (2) interfaces...... in silicon-on-insulator (SOI) structures and thin metal films on Si surfaces where several interfaces contribute to the SHG. In all the systems resonances are seen at interband transitions near the bulk critical points E-1 and E-2. On the clean surfaces a number of resonances appear below the onset of bulk...

  17. Application of miniaturized near-infrared spectroscopy for quality control of extemporaneous orodispersible films.

    Science.gov (United States)

    Foo, Wen Chin; Widjaja, Effendi; Khong, Yuet Mei; Gokhale, Rajeev; Chan, Sui Yung

    2018-02-20

    Extemporaneous oral preparations are routinely compounded in the pharmacy due to a lack of suitable formulations for special populations. Such small-scale pharmacy preparations also present an avenue for individualized pharmacotherapy. Orodispersible films (ODF) have increasingly been evaluated as a suitable dosage form for extemporaneous oral preparations. Nevertheless, as with all other extemporaneous preparations, safety and quality remain a concern. Although the United States Pharmacopeia (USP) recommends analytical testing of compounded preparations for quality assurance, pharmaceutical assays are typically not routinely performed for such non-sterile pharmacy preparations, due to the complexity and high cost of conventional assay methods such as high performance liquid chromatography (HPLC). Spectroscopic methods including Raman, infrared and near-infrared spectroscopy have been successfully applied as quality control tools in the industry. The state-of-art benchtop spectrometers used in those studies have the advantage of superior resolution and performance, but are not suitable for use in a small-scale pharmacy setting. In this study, we investigated the application of a miniaturized near infrared (NIR) spectrometer as a quality control tool for identification and quantification of drug content in extemporaneous ODFs. Miniaturized near infrared (NIR) spectroscopy is suitable for small-scale pharmacy applications in view of its small size, portability, simple user interface, rapid measurement and real-time prediction results. Nevertheless, the challenge with miniaturized NIR spectroscopy is its lower resolution compared to state-of-art benchtop equipment. We have successfully developed NIR spectroscopy calibration models for identification of ODFs containing five different drugs, and quantification of drug content in ODFs containing 2-10mg ondansetron (OND). The qualitative model for drug identification produced 100% prediction accuracy. The quantitative

  18. Infrared spectroscopy with multivariate analysis to interrogate endometrial tissue: a novel and objective diagnostic approach.

    Science.gov (United States)

    Taylor, S E; Cheung, K T; Patel, I I; Trevisan, J; Stringfellow, H F; Ashton, K M; Wood, N J; Keating, P J; Martin-Hirsch, P L; Martin, F L

    2011-03-01

    Endometrial cancer is the most common gynaecological malignancy in the United Kingdom. Diagnosis currently involves subjective expert interpretation of highly processed tissue, primarily using microscopy. Previous work has shown that infrared (IR) spectroscopy can be used to distinguish between benign and malignant cells in a variety of tissue types. Tissue was obtained from 76 patients undergoing hysterectomy, 36 had endometrial cancer. Slivers of endometrial tissue (tumour and tumour-adjacent tissue if present) were dissected and placed in fixative solution. Before analysis, tissues were thinly sliced, washed, mounted on low-E slides and desiccated; 10 IR spectra were obtained per slice by attenuated total reflection Fourier-transform IR (ATR-FTIR) spectroscopy. Derived data was subjected to principal component analysis followed by linear discriminant analysis. Post-spectroscopy analyses, tissue sections were haematoxylin and eosin-stained to provide histological verification. Using this approach, it is possible to distinguish benign from malignant endometrial tissue, and various subtypes of both. Cluster vector plots of benign (verified post-spectroscopy to be free of identifiable pathology) vs malignant tissue indicate the importance of the lipid and secondary protein structure (Amide I and Amide II) regions of the spectrum. These findings point towards the possibility of a simple objective test for endometrial cancer using ATR-FTIR spectroscopy. This would facilitate earlier diagnosis and so reduce the morbidity and mortality associated with this disease.

  19. Inline monitoring of adsorption of Butane Isomers with near infrared spectroscopy: Drift Correction in time based experiments

    NARCIS (Netherlands)

    Ferreira, A.; Boelens, H.F.M.; Westerhuis, J.A.

    2005-01-01

    Near-infrared (NIR) spectroscopy is used to monitor online a large variety of processes. Hydrocarbons with their strong NIR spectral signature are good candidate analytes. For this work, the sorption data are measured in a manometric setup coupled with online NIR spectroscopy, to monitor the bulk

  20. Raman and infrared spectroscopy of α and β phases of thin nickel hydroxide films electrochemically formed on nickel.

    Science.gov (United States)

    Hall, David S; Lockwood, David J; Poirier, Shawn; Bock, Christina; MacDougall, Barry R

    2012-06-28

    The present work utilizes Raman and infrared (IR) spectroscopy, supported by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) to re-examine the fine structural details of Ni(OH)(2), which is a key material in many energy-related applications. This work also unifies the large body of literature on the topic. Samples were prepared by the galvanostatic basification of nickel salts and by aging the deposits in hot KOH solutions. A simplified model is presented consisting of two fundamental phases (α and β) of Ni(OH)(2) and a range of possible structural disorder arising from factors such as impurities, hydration, and crystal defects. For the first time, all of the lattice modes of β-Ni(OH)(2) have been identified and assigned using factor group analysis. Ni(OH)(2) films can be rapidly identified in pure and mixed samples using Raman or IR spectroscopy by measuring their strong O-H stretching modes, which act as fingerprints. Thus, this work establishes methods to measure the phase, or phases, and disorder at a Ni(OH)(2) sample surface and to correlate desired chemical properties to their structural origins.

  1. Early detection of emerging street drugs by near infrared spectroscopy and chemometrics.

    Science.gov (United States)

    Risoluti, R; Materazzi, S; Gregori, A; Ripani, L

    2016-06-01

    Near-infrared spectroscopy (NIRs) is spreading as the tool of choice for fast and non-destructive analysis and detection of different compounds in complex matrices. This paper investigated the feasibility of using near infrared (NIR) spectroscopy coupled to chemometrics calibration to detect new psychoactive substances in street samples. The capabilities of this approach in forensic chemistry were assessed in the determination of new molecules appeared in the illicit market and often claimed to contain "non-illegal" compounds, although exhibiting important psychoactive effects. The study focused on synthetic molecules belonging to the classes of synthetic cannabinoids and phenethylamines. The approach was validated comparing results with officials methods and has been successfully applied for "in site" determination of illicit drugs in confiscated real samples, in cooperation with the Scientific Investigation Department (Carabinieri-RIS) of Rome. The achieved results allow to consider NIR spectroscopy analysis followed by chemometrics as a fast, cost-effective and useful tool for the preliminary determination of new psychoactive substances in forensic science. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Real time near-infrared Raman spectroscopy for the diagnosis of nasopharyngeal cancer.

    Science.gov (United States)

    Ming, Lim Chwee; Gangodu, Nagaraja Rao; Loh, Thomas; Zheng, Wei; Wang, Jianfeng; Lin, Kan; Zhiwei, Huang

    2017-07-25

    Near-infrared (NIR) Raman spectroscopy has been investigated as a tool to differentiate nasopharyngeal cancer (NPC) from normal nasopharyngeal tissue in an ex-vivo setting. Recently, we have miniaturized the fiber-optic Raman probe to investigate its utility in real time in-vivo surveillance of NPC patients. A posterior probability model using partial linear square (PLS) mathematical technique was constructed to verify the sensitivity and specificity of Raman spectroscopy in diagnosing NPC from post-irradiated and normal tissue using a diagnostic algorithm from three significant latent variables. NIR-Raman signals of 135 sites were measured from 79 patients with either newly diagnosed NPC (N = 12), post irradiated nasopharynx (N = 37) and normal nasopharynx (N = 30). The mean Raman spectra peaks identified differences at several Raman peaks at 853 cm-1, 940 cm-1, 1078 cm-1, 1335 cm-1, 1554 cm-1, 2885 cm-1 and 2940 cm-1 in the three different nasopharyngeal conditions. The sensitivity and specificity of distinguishing Raman signatures among normal nasopharynx versus NPC and post-irradiated nasopharynx versus NPC were 91% and 95%; and 77% and 96% respectively. Real time near-infrared Raman spectroscopy has a high specificity in distinguishing malignant from normal nasopharyngeal tissue in vivo, and may be investigated as a novel non-invasive surveillance tool in patients with nasopharyngeal cancer.

  3. New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR).

    Science.gov (United States)

    Genisheva, Z; Quintelas, C; Mesquita, D P; Ferreira, E C; Oliveira, J M; Amaral, A L

    2018-04-25

    This work aims to explore the potential of near infrared (NIR) spectroscopy to quantify volatile compounds in Vinho Verde wines, commonly determined by gas chromatography. For this purpose, 105 Vinho Verde wine samples were analyzed using Fourier transform near infrared (FT-NIR) transmission spectroscopy in the range of 5435 cm -1 to 6357 cm -1 . Boxplot and principal components analysis (PCA) were performed for clusters identification and outliers removal. A partial least square (PLS) regression was then applied to develop the calibration models, by a new iterative approach. The predictive ability of the models was confirmed by an external validation procedure with an independent sample set. The obtained results could be considered as quite good with coefficients of determination (R 2 ) varying from 0.94 to 0.97. The current methodology, using NIR spectroscopy and chemometrics, can be seen as a promising rapid tool to determine volatile compounds in Vinho Verde wines. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Analysis of serum cortisol levels by Fourier Transform Infrared Spectroscopy for diagnosis of stress in athletes

    Directory of Open Access Journals (Sweden)

    Lia Campos Lemes

    Full Text Available Abstract Introduction Fourier-transform infrared (FT-IR spectroscopy is a technique with great potential for body fluids analyses. The aim of this study was to examine the impact of session training on cortisol concentrations in rugby players by means of infrared analysis of serum. Methods Blood collections were performed pre, post and 24 hours after of rugby training sessions. Serum cortisol was analyzed by FT-IR spectroscopy and chemiluminescent immunoassay. Results There was a significant difference between the integrated area, in the region of 1180-1102 cm-1, of the spectra for pre, post and post 24 h serums. The cortisol concentration obtained by chemiluminescent immunoassay showed no significant difference between pre, post and post 24 h. Positive correlations were obtained between the techniques (r = 0.75, post (r = 0.83 and post 24 h (r = 0.73. Conclusion The results showed no increase in cortisol levels of the players after the training sessions, as well as positive correlations indicating that FT-IR spectroscopy have produced promising results for the analysis of serum for diagnosis of stress.

  5. Characterization of ceramic matrix composite degradation using Fourier transform infrared spectroscopy

    Science.gov (United States)

    Henry, Christine; Criner, Amanda Keck; Imel, Megan; King, Derek

    2018-04-01

    Data collected with a handheld Fourier Transform Infrared (FTIR) device is analyzed and considered as a useful method for detecting and quantifying oxidation on the surface of ceramic matrix composite (CMC) materials. Experiments examine silicon carbide (SiC) coupons, looking for changes in chemical composition before and after thermal exposure. Using mathematical, physical and statistical models for FTIR reflectance data, this research seeks to quantify any detected spectral changes as an indicator of surface oxidation on the CMC coupon.

  6. Detection of trace explosives on relevant substrates using a mobile platform for photothermal infrared imaging spectroscopy (PT-IRIS)

    Science.gov (United States)

    Kendziora, Christopher A.; Furstenberg, Robert; Papantonakis, Michael; Nguyen, Viet; Byers, Jeff; McGill, R. Andrew

    2015-05-01

    This manuscript describes the results of recent tests regarding standoff detection of trace explosives on relevant substrates using a mobile platform. We are developing a technology for detection based on photo-thermal infrared (IR) imaging spectroscopy (PT-IRIS). This approach leverages one or more microfabricated IR quantum cascade lasers, tuned to strong absorption bands in the analytes and directed to illuminate an area on a surface of interest. An IR focal plane array is used to image the surface thermal emission upon laser illumination. The PT-IRIS signal is processed as a hyperspectral image cube comprised of spatial, spectral and temporal dimensions as vectors within a detection algorithm. Increased sensitivity to explosives and selectivity between different analyte types is achieved by narrow bandpass IR filters in the collection path. We have previously demonstrated the technique at several meters of stand-off distance indoors and in field tests, while operating the lasers below the infrared eye-safe intensity limit (100 mW/cm2). Sensitivity to explosive traces as small as a single 10 μm diameter particle (~1 ng) has been demonstrated. Analytes tested here include RDX, TNT, ammonium nitrate and sucrose. The substrates tested in this current work include metal, plastics, glass and painted car panels.

  7. Infrared-x-ray pump-probe spectroscopy of the NO molecule

    International Nuclear Information System (INIS)

    Guimaraes, F.F.; Felicissimo, V.C.; Kimberg, V.; Gel'mukhanov, F.; Aagren, H.; Cesar, A.

    2005-01-01

    Two color infrared-x-ray pump-probe spectroscopy of the NO molecule is studied theoretically and numerically in order to obtain a deeper insight of the underlying physics and of the potential of this suggested technology. From the theoretical investigation a number of conclusions could be drawn: It is found that the phase of the infrared field strongly influences the trajectory of the nuclear wave packet, and hence, the x-ray spectrum. The trajectory experiences fast oscillations with the vibrational frequency with a modulation due to the anharmonicity of the potential. The dependences of the x-ray spectra on the delay time, the duration, and the shape of the pulses are studied in detail. It is shown that the x-ray spectrum keep memory about the infrared phase after the pump field left the system. This memory effect is sensitive to the time of switching-off the pump field and the Rabi frequency. The phase effect takes maximum value when the duration of the x-ray pulse is one-fourth of the infrared field period, and can be enhanced by a proper control of the duration and intensity of the pump pulse. The manifestation of the phase is different for oriented and disordered molecules and depends strongly on the intensity of the pump radiation

  8. Infrared x-ray pump-probe spectroscopy of the NO molecule

    Science.gov (United States)

    Guimarães, F. F.; Kimberg, V.; Felicíssimo, V. C.; Gel'Mukhanov, F.; Cesar, A.; Ågren, H.

    2005-07-01

    Two color infrared x-ray pump-probe spectroscopy of the NO molecule is studied theoretically and numerically in order to obtain a deeper insight of the underlying physics and of the potential of this suggested technology. From the theoretical investigation a number of conclusions could be drawn: It is found that the phase of the infrared field strongly influences the trajectory of the nuclear wave packet, and hence, the x-ray spectrum. The trajectory experiences fast oscillations with the vibrational frequency with a modulation due to the anharmonicity of the potential. The dependences of the x-ray spectra on the delay time, the duration, and the shape of the pulses are studied in detail. It is shown that the x-ray spectrum keep memory about the infrared phase after the pump field left the system. This memory effect is sensitive to the time of switching-off the pump field and the Rabi frequency. The phase effect takes maximum value when the duration of the x-ray pulse is one-fourth of the infrared field period, and can be enhanced by a proper control of the duration and intensity of the pump pulse. The manifestation of the phase is different for oriented and disordered molecules and depends strongly on the intensity of the pump radiation.

  9. Far-infrared vibrational modes of DNA components studied by terahertz time-domain spectroscopy

    International Nuclear Information System (INIS)

    Fischer, B M; Walther, M; Jepsen, P Uhd

    2002-01-01

    The far-infrared dielectric function of a wide range of organic molecules is dominated by vibrations involving a substantial fraction of the atoms forming the molecule and motion associated with intermolecular hydrogen bond vibrations. Due to their collective nature such modes are highly sensitive to the intra- and intermolecular structure and thus provide a unique fingerprint of the conformational state of the molecule and effects of its environment. We demonstrate the use of terahertz time-domain spectroscopy (THz-TDS) for recording the far-infrared (0.5-4.0 THz) dielectric function of the four nucleobases and corresponding nucleosides forming the building blocks of deoxyribose nucleic acid (DNA). We observe numerous distinct spectral features with large differences between the molecules in both frequency-dependent absorption coefficient and index of refraction. Assisted by results from density-functional calculations we interpret the origin of the observed resonances as vibrations of hydrogen bonds between the molecules

  10. Investigation into interaction of CO/sub 2/ molecules with zeolites by infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ignat' eva, L A; Levshin, L V; Chukin, G D; Efimenko, L V; Kozlova, T I [Moskovskij Gosudarstvennyj Univ. (USSR). Kafedra Optiki

    1975-07-01

    Interaction of CO/sub 2/ molecules with zeolites, particularly with SrNaJ was studied by infrared-spectroscopy. To obtain infrared-spectra the zeolites were pressed into tablets and were calcinated at 500 deg. In the spectra the bands of chemisorbed CO/sub 2/ absorption were found in the range 1300 - 1600 cm/sup -1/. The CO/sub 2/ molecule was found to be strongly deformed due to chemisorption. In terms of electronic structure of the zeolite crystalline skeleton several types of CO/sub 2/ molecules interaction with different active zeolites were found. The position of the high-frequency band of CO/sub 2/ absorption in zeolites spectra was found to be a linear function of electrostatic field of the cations.

  11. Remote characterization of mixed waste by infrared spectroscopy: Fiscal year 1995 report

    International Nuclear Information System (INIS)

    Rebagay, T.V.; Reich, F.R.; Dodd, D.A.; Lopez, T.; Watts, J.K.; Cash, R.J.

    1995-09-01

    This report summarizes development work completed in FY 1995 on near-infrared (NIR) and Fourier Transform Infrared (FTIR) spectroscopy of determining the moisture content and solid species present in Hanford Site high-level waste. In prior fiscal years, the main emphasis was on identification of cyanide species that might be present in the ferrocyanide waste tanks, but the present thrust has been more focused on determining the moisture content of the waste. If sufficient moisture is present in the waste, propagating reactions in reactive waste are precluded, regardless of its fuel content. A prototype hot cell NIR moisture probe is now ready for hot cell deployment to sense moisture contents and homogeneity in tank waste samples

  12. State-of-art application of near infrared spectroscopy for functional diagnostics in neonatology

    International Nuclear Information System (INIS)

    Wolf, M.; Paiziev, A.

    2013-01-01

    The present brief review is devoted to application of near infra-red spectroscopy (NIRS) for early diagnostics of human brain injury. The number of commercially accessible NIRS instruments, and accordingly their users, increases but the precision of measurements and their reproducibility from the clinical point of view essentially depend on used algorithms, a kind of the NIRS-instrument, sensors, which frequently leads to the different values of the measurable parameters of blood oxygen saturation (StO 2 ). We present some commercially accessible NIRS instruments for control of an oxygen saturation degree in human blood, first of all in neonatology, on the basis of absorption and scattering of near infra-red light at human tissue chromophores. The results of clinical investigations of different NIRS-spectrometers for measurements of in-vivo new-born child' blood saturation are presented as well. (authors)

  13. Advantages of infrared transflection micro spectroscopy and paraffin-embedded sample preparation for biological studies

    Science.gov (United States)

    Yao, Jie; Li, Qian; Zhou, Bo; Wang, Dan; Wu, Rie

    2018-04-01

    Fourier-Transform Infrared micro-spectroscopy is an excellent method for biological analyses. In this paper, series metal coating films on ITO glass were prepared by the electrochemical method and the different thicknesses of paraffin embedding rat's brain tissue on the substrates were studied by IR micro-spetroscopy in attenuated total reflection (ATR) mode and transflection mode respectively. The Co-Ni-Cu alloy coating film with low cost is good reflection substrates for the IR analysis. The infrared microscopic transflection mode needs not to touch the sample at all and can get the IR spectra with higher signal to noise ratios. The Paraffin-embedding method allows tissues to be stored for a long time for re-analysis to ensure the traceability of the sample. Also it isolates the sample from the metal and avoids the interaction of biological tissue with the metals. The best thickness of the tissues is 4 μm.

  14. Control of Refining Processes on Mid-Distillates by Near Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Zanier-Szydlowski N.

    1999-07-01

    Full Text Available The purpose of this paper is to demonstrate the accuracy of physicochemical determinations based on equations calculated by multivariate analysis of near infrared spectra which gives access to simultaneous analyses both on-line and off-line. Detailed results concerning the determination of the refractive index at 20°C, the density, the weight% of hydrogen, the % of aromatic carbon, the weight% of mono-, di- and total aromatics and the cetane number on mid-distillates are given in a shorter time than using the conventional approach by standardized methods. It is shown that near infrared spectroscopy combined with chemometrics should allow detailed and precise comparisons of the hydrotreatment process efficiencies.

  15. The infrared spectroscopy in the study of the bone crystallinity thermally affected

    International Nuclear Information System (INIS)

    Medina, C.; Tiesler, V.; Azamar, J.A.; Alvarado G, J.J.; Quintana, P.

    2006-01-01

    Bone is made up by both organic and inorganic components. Among the latter stands out hydroxyapatite (HAP), composed by hexagonal crystallites arranged in a laminar form. The size of the hydroxyapatite crystals may be altered by different conditions, among those figures thermal exhibition, since during burning the bone eliminates organic matrix and thus promotes the crystallization process of the material. An experimental series was designed to measure crystallinity, in which pig bone remains were burnt at different temperatures and analyzed by infrared spectroscopy (FTIR). By means of analogy a comparison was made between the infrared spectra in order to compare with the ones obtained from the archaeological samples, coming from the Classic period Maya sites of Calakmul and Becan, Campeche. (Author)

  16. Insights on diagnosis of oral cavity pathologies by infrared spectroscopy: A review

    Science.gov (United States)

    Giorgini, Elisabetta; Balercia, Paolo; Conti, Carla; Ferraris, Paolo; Sabbatini, Simona; Rubini, Corrado; Tosi, Giorgio

    2013-11-01

    Fourier-Transform Infrared microspectroscopy, a largely used spectroscopic technique in basic and industrial researches, offers the possibility to analyze the vibrational features of molecular groups within a variety of environments. In the bioclinical field, and, in particular, in the study of cells, tissues and biofluids, it could be considered a supporting objective technique able to characterize the biochemical processes involved in relevant pathologies, such as tumoral diseases, highlighting specific spectral markers associable with the principal biocomponents (proteins, lipids and carbohydrates). In this article, we review the applications of infrared spectroscopy to the study of tumoral diseases of oral cavity compartments with the aim to improve understanding of biological processes involved during the onset of these lesions and to afford to an early diagnosis. Spectral studies on mouth, salivary glands and oral cystic lesions, objectively discriminate normal from dysplastic and cancer states characterizing also the grading.

  17. Surface-enhanced chiroptical spectroscopy with superchiral surface waves.

    Science.gov (United States)

    Pellegrini, Giovanni; Finazzi, Marco; Celebrano, Michele; Duò, Lamberto; Biagioni, Paolo

    2018-07-01

    We study the chiroptical properties of one-dimensional photonic crystals supporting superchiral surface waves by introducing a simple formalism based on the Fresnel reflection matrix. We show that the proposed framework provides useful insights on the behavior of all the relevant chiroptical quantities, allowing for a deeper understanding of surface-enhanced chiral sensing platforms based on one-dimensional photonic crystals. Finally, we analyze and discuss the limitations of such platforms as the surface concentration of the target chiral analytes is gradually increased. © 2018 Wiley Periodicals, Inc.

  18. Hollow optical-fiber based infrared spectroscopy for measurement of blood glucose level by using multi-reflection prism.

    Science.gov (United States)

    Kino, Saiko; Omori, Suguru; Katagiri, Takashi; Matsuura, Yuji

    2016-02-01

    A mid-infrared attenuated total reflection (ATR) spectroscopy system employing hollow optical fibers and a trapezoidal multi-reflection ATR prism has been developed to measure blood glucose levels. Using a multi-reflection prism brought about higher sensitivity, and the flat and wide contact surface of the prism resulted in higher measurement reproducibility. An analysis of in vivo measurements of human inner lip mucosa revealed clear signatures of glucose in the difference spectra between ones taken during the fasting state and ones taken after ingestion of glucose solutions. A calibration plot based on the absorption peak at 1155 cm(-1) that originates from the pyranose ring structure of glucose gave measurement errors less than 20%.

  19. Radical Rearrangement Chemistry in Ultraviolet Photodissociation of Iodotyrosine Systems: Insights from Metastable Dissociation, Infrared Ion Spectroscopy, and Reaction Pathway Calculations.

    Science.gov (United States)

    Ranka, Karnamohit; Zhao, Ning; Yu, Long; Stanton, John F; Polfer, Nicolas C

    2018-05-29

    We report on the ultraviolet photodissociation (UVPD) chemistry of protonated tyrosine, iodotyrosine, and diiodotyrosine. Distonic loss of the iodine creates a high-energy radical at the aromatic ring that engages in hydrogen/proton rearrangement chemistry. Based on UVPD kinetics measurements, the appearance of this radical is coincident with the UV irradiation pulse (8 ns). Conversely, sequential UVPD product ions exhibit metastable decay on ca. 100 ns timescales. Infrared ion spectroscopy is capable of confirming putative structures of the rearrangement products as proton transfers from the imine and β-carbon hydrogens. Potential energy surfaces for the various reaction pathways indicate that the rearrangement chemistry is highly complex, compatible with a cascade of rearrangements, and that there is no preferred rearrangement pathway even in small molecular systems like these. Graphical Abstract.

  20. [The influence of probe geometry on the sensitivity of tissue oximeter using near infra-red spectroscopy].

    Science.gov (United States)

    Wang, F; Ding, H; Lin, F

    2000-08-01

    Based on the modified Lambert-Beer law under scattering media, near infra-red spectroscopy tissue oximeter measures the changes of absorber concentrations (such as oxy-hemoglobin, deoxy-hemoglobin, cytochrome aa3). This is made possible by recording the optical density change under different physiological status. This paper describes the average penetration depth, average photon path-length and spatial sensitive profile in multi-layered tissue model using Monte-Carlo method. The result shows the probe geometry of the sensor, which is the separation between the light source and the detector, has a great influence on the sensitivity of measurement. Increasing this separation properly allows the improvement of the sensitivity of measurement and the increase of the probability of looking at oxygenation deep under the surface tissue. But this improvement is limited by the decrease of signal-noise ratio. Optimum probe spacing should be estimated for special tissue structure.