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Sample records for resolved infrared spectroscopy

  1. Rotationally resolved infrared spectroscopy of adamantane

    NASA Astrophysics Data System (ADS)

    Pirali, O.; Boudon, V.; Oomens, J.; Vervloet, M.

    2012-01-01

    We present the first rotationally resolved spectra of adamantane (C10H16) applying gas-phase Fourier transform infrared (IR) absorption spectroscopy. High-resolution IR spectra are recorded in the 33-4500 cm-1range using as source of IR radiation both synchrotron radiation (at the AILES beamline of the SOLEIL synchrotron) as well as a classical globar. Adamantane is a spherical top molecule with tetrahedral symmetry (Td point group) and has no permanent dipole moment in its vibronic ground state. Of the 72 fundamental vibrational modes in adamantane, only 11 are IR active. Here we present rotationally resolved spectra for seven of them: ν30, ν28, ν27, ν26, ν25, ν24, and ν23. The typical rotational structure of spherical tops is observed and analyzed using the STDS software developed in the Dijon group, which provides the first accurate energy levels and rotational constants for seven fundamental modes. Rotational levels with quantum numbers as high as J = 107 have been identified and included in the fit leading to a typical standard deviation of about 10-3 cm-1.

  2. Visible/Infrared Imaging Spectroscopy and Energy-Resolving Detectors

    NASA Astrophysics Data System (ADS)

    Eisenhauer, Frank; Raab, Walfried

    2015-08-01

    Imaging spectroscopy has seen rapid progress over the past 25 years, leading to breakthroughs in many fields of astronomy that would not have been otherwise possible. This review overviews the visible/infrared imaging spectroscopy techniques as well as energy-resolving detectors. We introduce the working principle of scanning Fabry-Perot and Fourier transform spectrometers and explain the most common integral field concepts based on mirror slicers, lenslet arrays, and fibers. The main advantage of integral field spectrographs is the simultaneous measurement of spatial and spectral information. Although Fabry-Perot and Fourier transform spectrometers can provide a larger field of view, it is ultimately the higher sensitivity of integral field units that make them the technique of choice. This is arguably the case for image slicers, which make the most efficient use of the available detector pixels and have equal or higher transmission than lenslet arrays and fiber integral field units, respectively. We also address the more specific issues of large étendue operation, focal ratio degradation, anamorphic magnification, and diffraction-limited operation. This review also covers the emerging technology of energy-resolving detectors, which promise very simple and efficient instrument designs. These energy-resolving detectors are based on superconducting thin film technology and exploit either the very small superconducting energy to count the number of quasi-particles excited in the absorption of the photon or the extremely steep phase transition between the normal- and superconducting phase to measure a temperature increase. We have put special emphasis on an overview of the underlying physical phenomena as well as on the recent technological progress and astronomical path finder experiments.

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

    PubMed

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

    2015-03-17

    Ultrafast electron transfer (ET) processes are important primary steps in natural and artificial photosynthesis, as well as in molecular electronic/photonic devices. In biological systems, ET often occurs surprisingly fast over long distances of several tens of angströms. Laser-pulse irradiation is conveniently used to generate strongly oxidizing (or reducing) excited states whose reactions are then studied by time-resolved spectroscopic techniques. While photoluminescence decay and UV-vis absorption supply precise kinetics data, time-resolved infrared absorption (TRIR) and Raman-based spectroscopies have the advantage of providing additional structural information and monitoring vibrational energy flows and dissipation, as well as medium relaxation, that accompany ultrafast ET. We will discuss three cases of photoinduced ET involving the Re(I)(CO)3(N,N) moiety (N,N = polypyridine) that occur much faster than would be expected from ET theories. [Re(4-N-methylpyridinium-pyridine)(CO)3(N,N)](2+) represents a case of excited-state picosecond ET between two different ligands that remains ultrafast even in slow-relaxing solvents, beating the adiabatic limit. This is caused by vibrational/solvational excitation of the precursor state and participation of high-frequency quantum modes in barrier crossing. The case of Re-tryptophan assemblies demonstrates that excited-state Trp → *Re(II) ET is accelerated from nanoseconds to picoseconds when the Re(I)(CO)3(N,N) chromophore is appended to a protein, close to a tryptophan residue. TRIR in combination with DFT calculations and structural studies reveals an interaction between the N,N ligand and the tryptophan indole. It results in partial electronic delocalization in the precursor excited state and likely contributes to the ultrafast ET rate. Long-lived vibrational/solvational excitation of the protein Re(I)(CO)3(N,N)···Trp moiety, documented by dynamic IR band shifts, could be another accelerating factor. The last

  4. Broadband Mid-Infrared Comb-Resolved Fourier Transform Spectroscopy

    NASA Astrophysics Data System (ADS)

    Lee, Kevin; Mills, Andrew; Mohr, Christian; Jiang, Jie; Fermann, Martin; Maslowski, Piotr

    2014-06-01

    We report on a comb-resolved, broadband, direct-comb spectroscopy system in the mid-IR and its application to the detection of trace gases and molecular line shape analysis. By coupling an optical parametric oscillator (OPO), a 100 m multipass cell, and a high-resolution Fourier transform spectrometer (FTS), sensitive, comb-resolved broadband spectroscopy of dilute gases is possible. The OPO has radiation output at 3.1-3.7 and 4.5-5.5 μm. The laser repetition rate is scanned to arbitrary values with 1 Hz accuracy around 417 MHz. The comb-resolved spectrum is produced with an absolute frequency axis depending only on the RF reference (in this case a GPS disciplined oscillator), stable to 1 part in 10^9. The minimum detectable absorption is 1.6x10-6 wn Hz-1/2. The operating range of the experimental setup enables access to strong fundamental transitions of numerous molecular species for applications based on trace gas detection such as environmental monitoring, industrial gas calibration or medical application of human breath analysis. In addition to these capabilities, we show the application for careful line shape analysis of argon-broadened CO band spectra around 4.7 μm. Fits of the obtained spectra clearly illustrate the discrepancy between the measured spectra and the Voigt profile (VP), indicating the need to include effects such as Dicke narrowing and the speed-dependence of the collisional width and shift in the line shape model, as was shown in previous cw-laser studies. In contrast to cw-laser based experiments, in this case the entire spectrum (˜ 250 wn) covering the whole P and R branches can be measured in 16 s with 417 MHz resolution, decreasing the acquisition time by orders of magnitude. The parallel acquisition allows collection of multiple lines simultaneously, removing the correlation of possible temperature and pressure drifts. While cw-systems are capable of measuring spectra with higher precision, this demonstration opens the door for fast

  5. High-pressure-low-temperature cryostat designed for use with fourier transform infrared spectrometers and time-resolved infrared spectroscopy.

    PubMed

    Calladine, James A; Love, Ashley; Fields, Peter A; Wilson, Richard G M; George, Michael W

    2014-01-01

    The design for a new high-pressure-low-temperature infrared (IR) cell for performing experiments using conventional Fourier transform infrared or fast laser-based time-resolved infrared spectroscopy, in a range of solvents, is described. The design builds upon a commercially available compressor and cold end (Polycold PCC(®) and CryoTiger(®)), which enables almost vibration-free operation, ideal for use with sensitive instrumentation. The design of our cell and cryostat allows for the study of systems at temperatures from 77 to 310 K and at pressures up to 250 bar. The CaF2 windows pass light from the mid-IR to the ultraviolet (UV), enabling a number of experiments to be performed, such as Raman, UV-visible absorption spectroscopy, and time-resolved techniques where sample excitation/probing using continuous wave or pulsed lasers is required. We demonstrate the capabilities of this cell by detailing two different applications: (i) the reactivity of a range of Group V-VII organometallic alkane complexes using time-resolved spectroscopy on the millisecond timescale and (ii) the gas-to-liquid phase transition of CO2 at low temperature, which is applicable to measurements associated with transportation issues related to carbon capture and storage.

  6. Noncontact blood species identification method based on spatially resolved near-infrared transmission spectroscopy

    NASA Astrophysics Data System (ADS)

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

    PubMed

    Chen, Li; Ueta, Hirokazu; Bisson, Régis; Beck, Rainer D

    2013-05-01

    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(θ). 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.

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

    SciTech Connect

    Chen Li; Ueta, Hirokazu; Beck, Rainer D.; Bisson, Regis

    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.

  9. Synchrotron-based rotationally resolved high-resolution FTIR spectroscopy of azulene and the unidentified infrared bands of astronomy.

    PubMed

    Albert, Sieghard; Lerch, Philippe; Quack, Martin

    2013-10-07

    Chasing the unidentified IR bands: The first rotationally resolved high-resolution infrared spectrum of azulene is reported using synchrotron Fourier transform infrared spectroscopy including a rovibrational analysis of the out-of-plane fundamental ν44. Comparison of azulene, naphthalene, indole, and biphenyl infrared bands leads to coincidences with UIR bands at 12.8 μm with naphthalene and at 13.55 and 14.6 μm with biphenyl bands, but excluding azulene as a strong absorber.

  10. Evaporation of ethanol and ethanol-water mixtures studied by time-resolved infrared spectroscopy.

    PubMed

    Innocenzi, Plinio; Malfatti, Luca; Costacurta, Stefano; Kidchob, Tongjit; Piccinini, Massimo; Marcelli, Augusto

    2008-07-24

    The knowledge of the physics and the chemistry behind the evaporation of solvents is very important for the development of several technologies, especially in the fabrication of thin films from liquid phase and the organization of nanostructures by evaporation-induced self-assembly. Ethanol, in particular, is one of the most common solvents in sol-gel and evaporation-induced self-assembly processing of thin films, and a detailed understanding of its role during these processes is of fundamental importance. Rapid scan time-resolved infrared spectroscopy has been applied to study in situ the evaporation of ethanol and ethanol-water droplets on a ZnSe substrate. Whereas the evaporation rate of ethanol remains constant during the process, water is adsorbed by the ethanol droplet from the external environment and evaporates in three stages that are characterized by different evaporation rates. The adsorption and evaporation process of water in an ethanol droplet has been observed to follow a complex behavior: due to this reason, it has been analyzed by two-dimensional infrared correlation. Three different components in the water bending band have been resolved.

  11. Optical properties of drying wood studied by time-resolved near-infrared spectroscopy.

    PubMed

    Konagaya, Keiji; Inagaki, Tetsuya; Kitamura, Ryunosuke; Tsuchikawa, Satoru

    2016-05-02

    We measured the optical properties of drying wood with the moisture contents ranging from 10% to 200%. By using time-resolved near-infrared spectroscopy, the reduced scattering coefficient μs' and absorption coefficient μa were determined independent of each other, providing information on the chemical and structural changes, respectively, of wood on the nanometer scale. Scattering from dry pores dominated, which allowed us to determine the drying process of large pores during the period of constant drying rate, and the drying process of smaller pores during the period of decreasing drying rate. The surface layer and interior of the wood exhibit different moisture states, which affect the scattering properties of the wood.

  12. Dual time-resolved temperature-jump fluorescence and infrared spectroscopy for the study of fast protein dynamics

    NASA Astrophysics Data System (ADS)

    Davis, Caitlin M.; Reddish, Michael J.; Dyer, R. Brian

    2017-05-01

    Time-resolved temperature-jump (T-jump) coupled with fluorescence and infrared (IR) spectroscopy is a powerful technique for monitoring protein dynamics. Although IR spectroscopy of the polypeptide amide I mode is more technically challenging, it offers complementary information because it directly probes changes in the protein backbone, whereas, fluorescence spectroscopy is sensitive to the environment of specific side chains. With the advent of widely tunable quantum cascade lasers (QCL) it is possible to efficiently probe multiple IR frequencies with high sensitivity and reproducibility. Here we describe a dual time-resolved T-jump fluorescence and IR spectrometer and its application to study protein folding dynamics. A Q-switched Ho:YAG laser provides the T-jump source for both time-resolved IR and fluorescence spectroscopy, which are probed by a QCL and Ti:Sapphire laser, respectively. The Ho:YAG laser simultaneously pumps the time-resolved IR and fluorescence spectrometers. The instrument has high sensitivity, with an IR absorbance detection limit of < 0.2 mOD and a fluorescence sensitivity of 2% of the overall fluorescence intensity. Using a computer controlled QCL to rapidly tune the IR frequency it is possible to create a T-jump induced difference spectrum from 50 ns to 0.5 ms. This study demonstrates the power of the dual time-resolved T-jump fluorescence and IR spectroscopy to resolve complex folding mechanisms by complementary IR absorbance and fluorescence measurements of protein dynamics.

  13. Hemodynamic measurements in deep brain tissues of humans by near-infrared time-resolved spectroscopy

    NASA Astrophysics Data System (ADS)

    Suzuki, Hiroaki; Oda, Motoki; Yamaki, Etsuko; Suzuki, Toshihiko; Yamashita, Daisuke; Yoshimoto, Kenji; Homma, Shu; Yamashita, Yutaka

    2014-03-01

    Using near-infrared time-resolved spectroscopy (TRS), we measured the human head in transmittance mode to obtain the optical properties, tissue oxygenation, and hemodynamics of deep brain tissues in 50 healthy adult volunteers. The right ear canal was irradiated with 3-wavelengths of pulsed light (760, 795, and 835nm), and the photons passing through the human head were collected at the left ear canal. Optical signals with sufficient intensity could be obtained from 46 of the 50 volunteers. By analyzing the temporal profiles based on the photon diffusion theory, we successfully obtained absorption coefficients for each wavelength. The levels of oxygenated hemoglobin (HbO2), deoxygenated hemoglobin (Hb), total hemoglobin (tHb), and tissue oxygen saturation (SO2) were then determined by referring to the hemoglobin spectroscopic data. Compared with the SO2 values for the forehead measurements in reflectance mode, the SO2 values of the transmittance measurements of the human head were approximately 10% lower, and tHb values of the transmittance measurements were always lower than those of the forehead reflectance measurements. Moreover, the level of hemoglobin and the SO2 were strongly correlated between the human head measurements in transmittance mode and the forehead measurements in the reflectance mode, respectively. These results demonstrated a potential application of this TRS system in examining deep brain tissues of humans.

  14. Optical analysis of cirrhotic liver by near infrared time resolved spectroscopy

    NASA Astrophysics Data System (ADS)

    Nishio, Toshihiro; Kitai, Toshiyuki; Miwa, Mitsuharu; Takahashi, Rei; Yamaoka, Yoshio

    1999-10-01

    The severity of liver cirrhosis was related with the optical properties of liver tissue. Various grades of liver cirrhosis were produced in rats by intraperitoneal injection of thioacetamide (TAA) for different periods: 4 weeks, 8 weeks, 12 weeks, and 16 weeks. Optical properties of the liver, absorption, coefficient ((mu) a) and scattering coefficient (microsecond(s) '), were measured by near-infrared time- resolved spectroscopy. Histological examination confirmed cirrhotic changes in the liver, which were more severe in rats with TAA administration for longer periods. The (mu) a increased in 4- and 8-week rats, and then decreased in 12- and 16-week rats. The (mu) a of blood-free liver decreased as liver cirrhosis progressed. The hemoglobin content in the liver calculated from the (mu) a values increased in 4- and 8-week rats and decreased in 12- and 16-week rats. The microsecond(s) ' decreased in the cirrhotic liver, probably reflecting the decrease in the mitochondria content. It was shown that (mu) a and microsecond(s) ' determination is useful to assess the severity of liver cirrhosis.

  15. A compact time-resolved system for near infrared spectroscopy based on wavelength space multiplexing

    NASA Astrophysics Data System (ADS)

    Re, Rebecca; Contini, Davide; Caffini, Matteo; Cubeddu, Rinaldo; Spinelli, Lorenzo; Torricelli, Alessandro

    2010-11-01

    We designed and developed a compact dual-wavelength and dual-channel time-resolved system for near-infrared spectroscopy studies of muscle and brain. The system employs pulsed diode lasers as sources, compact photomultipliers, and time-correlated single photon counting boards for detection. To exploit the full temporal and dynamic range of the acquisition technique, we implemented an approach based on wavelength space multiplexing: laser pulses at the two wavelengths are alternatively injected into the two channels by means of an optical 2×2 switch. In each detection line (i.e., in each temporal window), the distribution of photon time-of-flights at one wavelength is acquired. The proposed approach increases the signal-to-noise ratio and avoids wavelength cross-talk with respect to the typical approach based on time multiplexing. The instrument was characterized on tissue phantoms to assess its properties in terms of linearity, stability, noise, and reproducibility. Finally, it was successfully tested in preliminary in vivo measurements on muscle during standard cuff occlusion and on the brain during a motor cortex response due to hand movements.

  16. Monitoring brain temperature by time-resolved near-infrared spectroscopy: pilot study

    NASA Astrophysics Data System (ADS)

    Bakhsheshi, Mohammad Fazel; Diop, Mamadou; St. Lawrence, Keith; Lee, Ting-Yim

    2014-05-01

    Mild hypothermia (HT) is an effective neuroprotective strategy for a variety of acute brain injuries. However, the wide clinical adaptation of HT has been hampered by the lack of a reliable noninvasive method for measuring brain temperature, since core measurements have been shown to not always reflect brain temperature. The goal of this work was to develop a noninvasive optical technique for measuring brain temperature that exploits both the temperature dependency of water absorption and the high concentration of water in brain (80%-90%). Specifically, we demonstrate the potential of time-resolved near-infrared spectroscopy (TR-NIRS) to measure temperature in tissue-mimicking phantoms (in vitro) and deep brain tissue (in vivo) during heating and cooling, respectively. For deep brain tissue temperature monitoring, experiments were conducted on newborn piglets wherein hypothermia was induced by gradual whole body cooling. Brain temperature was concomitantly measured by TR-NIRS and a thermocouple probe implanted in the brain. Our proposed TR-NIRS method was able to measure the temperature of tissue-mimicking phantoms and brain tissues with a correlation of 0.82 and 0.66 to temperature measured with a thermometer, respectively. The mean difference between the TR-NIRS and thermometer measurements was 0.15°C±1.1°C for the in vitro experiments and 0.5°C±1.6°C for the in vivo measurements.

  17. Time-resolved fluorescence polarization spectroscopy of visible and near infrared dyes in picosecond dynamics

    NASA Astrophysics Data System (ADS)

    Pu, Yang; Alfano, Robert R.

    2015-03-01

    Near-infrared (NIR) dyes absorb and emit light within the range from 700 to 900 nm have several benefits in biological studies for one- and/or two-photon excitation for deeper penetration of tissues. These molecules undergo vibrational and rotational motion in the relaxation of the excited electronic states, Due to the less than ideal anisotropy behavior of NIR dyes stemming from the fluorophores elongated structures and short fluorescence lifetime in picosecond range, no significant efforts have been made to recognize the theory of these dyes in time-resolved polarization dynamics. In this study, the depolarization of the fluorescence due to emission from rotational deactivation in solution will be measured with the excitation of a linearly polarized femtosecond laser pulse and a streak camera. The theory, experiment and application of the ultrafast fluorescence polarization dynamics and anisotropy are illustrated with examples of two of the most important medical based dyes. One is NIR dye, namely Indocyanine Green (ICG) and is compared with Fluorescein which is in visible range with much longer lifetime. A set of first-order linear differential equations was developed to model fluorescence polarization dynamics of NIR dye in picosecond range. Using this model, the important parameters of ultrafast polarization spectroscopy were identified: risetime, initial time, fluorescence lifetime, and rotation times.

  18. Quantifying the cerebral metabolic rate of oxygen by combining diffuse correlation spectroscopy and time-resolved near-infrared spectroscopy.

    PubMed

    Verdecchia, Kyle; Diop, Mamadou; Lee, Ting-Yim; St Lawrence, Keith

    2013-02-01

    Preterm infants are highly susceptible to ischemic brain injury; consequently, continuous bedside monitoring to detect ischemia before irreversible damage occurs would improve patient outcome. In addition to monitoring cerebral blood flow (CBF), assessing the cerebral metabolic rate of oxygen (CMRO2) would be beneficial considering that metabolic thresholds can be used to evaluate tissue viability. The purpose of this study was to demonstrate that changes in absolute CMRO2 could be measured by combining diffuse correlation spectroscopy (DCS) with time-resolved near-infrared spectroscopy (TR-NIRS). Absolute CBF was determined using bolus-tracking TR-NIRS to calibrate the DCS measurements. Cerebral venous blood oxygenation (SvO2) was determined by multiwavelength TR-NIRS measurements, the accuracy of which was assessed by directly measuring the oxygenation of sagittal sinus blood. In eight newborn piglets, CMRO2 was manipulated by varying the anesthetics and by injecting sodium cyanide. No significant differences were found between the two sets of SvO2 measurements obtained by TR-NIRS or sagittal sinus blood samples and the corresponding CMRO2 measurements. Bland-Altman analysis showed a mean CMRO2 difference of 0.0268 ± 0.8340 mLO2/100 g/min between the two techniques over a range from 0.3 to 4 mL O2/100 g/min.

  19. Quantifying the cerebral metabolic rate of oxygen by combining diffuse correlation spectroscopy and time-resolved near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Verdecchia, Kyle; Diop, Mamadou; Lee, Ting-Yim; St. Lawrence, Keith

    2013-02-01

    Preterm infants are highly susceptible to ischemic brain injury; consequently, continuous bedside monitoring to detect ischemia before irreversible damage occurs would improve patient outcome. In addition to monitoring cerebral blood flow (CBF), assessing the cerebral metabolic rate of oxygen (CMRO2) would be beneficial considering that metabolic thresholds can be used to evaluate tissue viability. The purpose of this study was to demonstrate that changes in absolute CMRO2 could be measured by combining diffuse correlation spectroscopy (DCS) with time-resolved near-infrared spectroscopy (TR-NIRS). Absolute CBF was determined using bolus-tracking TR-NIRS to calibrate the DCS measurements. Cerebral venous blood oxygenation (SvO2) was determined by multiwavelength TR-NIRS measurements, the accuracy of which was assessed by directly measuring the oxygenation of sagittal sinus blood. In eight newborn piglets, CMRO2 was manipulated by varying the anesthetics and by injecting sodium cyanide. No significant differences were found between the two sets of SvO2 measurements obtained by TR-NIRS or sagittal sinus blood samples and the corresponding CMRO2 measurements. Bland-Altman analysis showed a mean CMRO2 difference of 0.0268±0.8340 mL O2/100 g/min between the two techniques over a range from 0.3 to 4 mL O2/100 g/min.

  20. Monitoring brain temperature by time-resolved near-infrared spectroscopy: pilot study.

    PubMed

    Bakhsheshi, Mohammad Fazel; Diop, Mamadou; St Lawrence, Keith; Lee, Ting-Yim

    2014-05-01

    Mild hypothermia (HT(32°C-33°C)) is an effective neuroprotective strategy for a variety of acute brain injuries. However, the wide clinical adaptation of HT(32-33°C) has been hampered by the lack of a reliable noninvasive method for measuring brain temperature, since core measurements have been shown to not always reflect brain temperature. The goal of this work was to develop a noninvasive optical technique for measuring brain temperature that exploits both the temperature dependency of water absorption and the high concentration of water in brain (80%-90%). Specifically, we demonstrate the potential of time-resolved near-infrared spectroscopy (TR-NIRS) to measure temperature in tissue-mimicking phantoms (in vitro) and deep brain tissue (in vivo) during heating and cooling, respectively. For deep brain tissue temperature monitoring, experiments were conducted on newborn piglets wherein hypothermia was induced by gradual whole body cooling. Brain temperature was concomitantly measured by TR-NIRS and a thermocouple probe implanted in the brain. Our proposed TR-NIRS method was able to measure the temperature of tissue-mimicking phantoms and brain tissues with a correlation of 0.82 and 0.66 to temperature measured with a thermometer, respectively. The mean difference between the TR-NIRS and thermometer measurements was 0.15°C ± 1.1°C for the in vitro experiments and 0.5°C ± 1.6°C for the in vivo measurements.

  1. Dual time-resolved temperature-jump fluorescence and infrared spectroscopy for the study of fast protein dynamics.

    PubMed

    Davis, Caitlin M; Reddish, Michael J; Dyer, R Brian

    2017-05-05

    Time-resolved temperature-jump (T-jump) coupled with fluorescence and infrared (IR) spectroscopy is a powerful technique for monitoring protein dynamics. Although IR spectroscopy of the polypeptide amide I mode is more technically challenging, it offers complementary information because it directly probes changes in the protein backbone, whereas, fluorescence spectroscopy is sensitive to the environment of specific side chains. With the advent of widely tunable quantum cascade lasers (QCL) it is possible to efficiently probe multiple IR frequencies with high sensitivity and reproducibility. Here we describe a dual time-resolved T-jump fluorescence and IR spectrometer and its application to study protein folding dynamics. A Q-switched Ho:YAG laser provides the T-jump source for both time-resolved IR and fluorescence spectroscopy, which are probed by a QCL and Ti:Sapphire laser, respectively. The Ho:YAG laser simultaneously pumps the time-resolved IR and fluorescence spectrometers. The instrument has high sensitivity, with an IR absorbance detection limit of <0.2mOD and a fluorescence sensitivity of 2% of the overall fluorescence intensity. Using a computer controlled QCL to rapidly tune the IR frequency it is possible to create a T-jump induced difference spectrum from 50ns to 0.5ms. This study demonstrates the power of the dual time-resolved T-jump fluorescence and IR spectroscopy to resolve complex folding mechanisms by complementary IR absorbance and fluorescence measurements of protein dynamics. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. PHASE-RESOLVED INFRARED SPECTROSCOPY AND PHOTOMETRY OF V1500 CYGNI, AND A SEARCH FOR SIMILAR OLD CLASSICAL NOVAE

    SciTech Connect

    Harrison, Thomas E.; Campbell, Randy D.; Lyke, James E. E-mail: jlyke@keck.hawaii.edu

    2013-08-01

    We present phase-resolved near-infrared photometry and spectroscopy of the classical nova (CN) V1500 Cyg to explore whether cyclotron emission is present in this system. While the spectroscopy do not indicate the presence of discrete cyclotron harmonic emission, the light curves suggest that a sizable fraction of its near-infrared fluxes are due to this component. The light curves of V1500 Cyg appear to remain dominated by emission from the heated face of the secondary star in this system. We have used infrared spectroscopy and photometry to search for other potential magnetic systems among old CNe. We have found that the infrared light curves of V1974 Cyg superficially resemble those of V1500 Cyg, suggesting a highly irradiated companion. The old novae V446 Her and QV Vul have light curves with large amplitude variations like those seen in polars, suggesting they might have magnetic primaries. We extract photometry for 79 old novae from the Two Micron All Sky Survey Point Source Catalog and use those data to derive the mean, un-reddened infrared colors of quiescent novae. We also extract WISE data for these objects and find that 45 of them were detected. Surprisingly, a number of these systems were detected in the WISE 22 {mu}m band. While two of those objects produced significant dust shells (V705 Cas and V445 Pup), the others did not. It appears that line emission from their ionized ejected shells is the most likely explanation for those detections.

  3. [The applications of fourier transform infrared spectroscopy in resolving some taxonomic doubts of Caprifoliaceae].

    PubMed

    Hao, Chao-yun; Cheng, Cun-gui; Liu, Peng

    2007-01-01

    Fourier transform infrared spectroscopy (FTIR) provides biochemical profiles containing overlapping signals from a majority of the compounds that are present when whole.samples are analyzed. The spectra of the xylem of 112 samples belonging to 12 species and 5 genera in Caprifoliaceae were determined directly with FTIR spectrometry and OMNI-sampler. Based on the indices of wave number -absorbance, the phylogenetic relationships of the 12 species were analyzed by the methods of principal coordinate analysis (PCO) and cluster analysis. The results showed that the infrared spectra of the 12 plant species are finger-print-like patterns which are highly typical for different taxa. Genus Heptacodium has close relation with the tribe Linnaeeae, and Lonicereae, showing that its systematic position is probably located between the two tribes. There is no obvious difference between Viburnum and Sambucus, so the authors thought it would be better to put the two genera in Caprifoliaceae. Therefore, the infrared spectra are of taxonomic value at the level of species and genera, and this technique could be widely used for identification and classification of other taxa when standard spectra are available.

  4. The Balloon Experimental Twin Telescope for Infrared Interferometry (BETTII): Spatially Resolved Spectroscopy in the Far-Infrared

    NASA Technical Reports Server (NTRS)

    Rinehart, Stephen

    2009-01-01

    Astronomical studies at infrared wavelengths have dramatically improved our understanding of the universe, and observations with Spitzer, the upcoming Herschel mission, and SOFIA will continue to provide exciting new discoveries. The relatively low angular resolution of these missions, however, is insufficient to resolve the physical scale on which mid-to far-infrared emission arises, resulting in source and structure ambiguities that limit our ability to answer key science questions. Interferometry enables high angular resolution at these wavelengths - a powerful tool for scientific discovery. We will build the Balloon Experimental Twin Telescope for Infrared Interferometry (BETTII), an eight-meter baseline Michelson stellar interferometer to fly on a high-altitude balloon. BETTII's spectral-spatial capability, provided by an instrument using double-Fourier techniques, will address key questions about the nature of disks in young star clusters and active galactic nuclei and the envelopes of evolved stars. BETTII will also lay the technological groundwork for future space interferometers and for suborbital programs optimized for studying extrasolar planets.

  5. The Balloon Experimental Twin Telescope for Infrared Interferometry (BETTII): Spatially Resolved Spectroscopy in the Far-Infrared

    NASA Technical Reports Server (NTRS)

    Rinehart, Stephen

    2009-01-01

    Astronomical studies at infrared wavelengths have dramatically improved our understanding of the universe, and observations with Spitzer, the upcoming Herschel mission, and SOFIA will continue to provide exciting new discoveries. The relatively low angular resolution of these missions, however, is insufficient to resolve the physical scale on which mid-to far-infrared emission arises, resulting in source and structure ambiguities that limit our ability to answer key science questions. Interferometry enables high angular resolution at these wavelengths - a powerful tool for scientific discovery. We will build the Balloon Experimental Twin Telescope for Infrared Interferometry (BETTII), an eight-meter baseline Michelson stellar interferometer to fly on a high-altitude balloon. BETTII's spectral-spatial capability, provided by an instrument using double-Fourier techniques, will address key questions about the nature of disks in young star clusters and active galactic nuclei and the envelopes of evolved stars. BETTII will also lay the technological groundwork for future space interferometers and for suborbital programs optimized for studying extrasolar planets.

  6. Ion Dynamics in Solid-State Polymer Electrolyte Electrochemical Cells using in situ Time-Resolved Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Richey, Francis; Elabd, Yossef

    2012-02-01

    Understanding ion transport in solid-state polymer electrochemical cells is of great interest for the advancement of cell efficacy. However, currently there is limited experimental knowledge of ion transport on a molecular level. In this study, we report a new spectroelectrochemical experimental technique that provides in situ molecular level detail about cation and anion transport of an ionic liquid in solid-state polymer electrolyte electrochemical cells. In situ time-resolved Fourier transform infrared attenuated total reflectance (FTIR-ATR) spectroscopy was utilized to measure the time dependent accumulation of ions at the cathode and anode interface under an applied potential. The results show that the cation and anion of the ionic liquid both transport and accumulate at the cathode under dry conditions, but only the cation accumulates at the cathode under humid conditions. This experiment was coupled with electrochemical impedance spectroscopy to simultaneously measure overall charge transport and cyclic voltammograms.

  7. Time-resolved infrared spectroscopy of the lowest triplet state of thymine and thymidine

    PubMed Central

    Hare, Patrick M.; Middleton, Chris T.; Mertel, Kristin I.

    2008-01-01

    Vibrational spectra of the lowest energy triplet states of thymine and its 2’-deoxyribonucleoside, thymidine, are reported for the first time. Time-resolved infrared (TRIR) difference spectra were recorded over seven decades of time from 300 fs – 3 µs using femtosecond and nanosecond pump-probe techniques. The carbonyl stretch bands in the triplet state are seen at 1603 and ~1700 cm−1 in room-temperature acetonitrile-d3 solution. These bands and additional ones observed between 1300 and 1450 cm−1 are quenched by dissolved oxygen on a nanosecond time scale. Density-functional calculations accurately predict the difference spectrum between triplet and singlet IR absorption cross sections, confirming the peak assignments and elucidating the nature of the vibrational modes. In the triplet state, the C4=O carbonyl exhibits substantial single-bond character, explaining the large (~70 cm−1) red shift in this vibration, relative to the singlet ground state. Femtosecond TRIR measurements unambiguously demonstrate that the triplet state is fully formed within the first 10 ps after excitation, ruling out a relaxed 1nπ* state as the triplet precursor. PMID:19936322

  8. Time-resolved infrared spectroscopy of the lowest triplet state of thymine and thymidine

    NASA Astrophysics Data System (ADS)

    Hare, Patrick M.; Middleton, Chris T.; Mertel, Kristin I.; Herbert, John M.; Kohler, Bern

    2008-05-01

    Vibrational spectra of the lowest energy triplet states of thymine and its 2'-deoxyribonucleoside, thymidine, are reported for the first time. Time-resolved infrared (TRIR) difference spectra were recorded over seven decades of time from 300 fs to 3 μs using femtosecond and nanosecond pump-probe techniques. The carbonyl stretch bands in the triplet state are seen at 1603 and ˜1700 cm -1 in room-temperature acetonitrile- d3 solution. These bands and additional ones observed between 1300 and 1450 cm -1 are quenched by dissolved oxygen on a nanosecond time scale. Density-functional calculations accurately predict the difference spectrum between triplet and singlet IR absorption cross sections, confirming the peak assignments and elucidating the nature of the vibrational modes. In the triplet state, the C4 dbnd O carbonyl exhibits substantial single-bond character, explaining the large (˜70 cm -1) red shift in this vibration, relative to the singlet ground state. Femtosecond TRIR measurements unambiguously demonstrate that the triplet state is fully formed within the first 10 ps after excitation, ruling out a relaxed 1nπ ∗ state as the triplet precursor.

  9. Infrared absorption of CH3OSO detected with time-resolved Fourier-transform spectroscopy

    NASA Astrophysics Data System (ADS)

    Chen, Jin-Dah; Lee, Yuan-Pern

    2011-03-01

    A step-scan Fourier-transform spectrometer coupled with a multipass absorption cell was employed to detect temporally resolved infrared absorption spectra of CH3OSO produced upon irradiation of a flowing gaseous mixture of CH3OS(O)Cl in N2 or CO2 at 248 nm. Two intense transient features with origins near 1152 and 994 cm-1 are assigned to syn-CH3OSO; the former is attributed to overlapping bands at 1154 ± 3 and 1151 ± 3 cm-1, assigned to the S=O stretching mixed with CH3 rocking (ν8) and the S=O stretching mixed with CH3 wagging (ν9) modes, respectively, and the latter to the C-O stretching (ν10) mode at 994 ± 6 cm-1. Two weak bands at 2991 ± 6 and 2956 ± 3 cm-1 are assigned as the CH3 antisymmetric stretching (ν2) and symmetric stretching (ν3) modes, respectively. Observed vibrational transition wavenumbers agree satisfactorily with those predicted with quantum-chemical calculations at level B3P86/aug-cc-pVTZ. Based on rotational parameters predicted at that level, the simulated rotational contours of these bands agree satisfactorily with experimental results. The simulation indicates that the S=O stretching mode of anti-CH3OSO near 1164 cm-1 likely makes a small contribution to the observed band near 1152 cm-1. A simple kinetic model of self-reaction is employed to account for the decay of CH3OSO and yields a second-order rate coefficient k = (4 ± 2)×10-10 cm3 molecule-1 s-1.

  10. Near-infrared spatially resolved spectroscopy of (136108) Haumea's multiple system

    NASA Astrophysics Data System (ADS)

    Gourgeot, F.; Carry, B.; Dumas, C.; Vachier, F.; Merlin, F.; Lacerda, P.; Barucci, M. A.; Berthier, J.

    2016-08-01

    Context. The transneptunian region of the solar system is populated by a wide variety of icy bodies showing great diversity in orbital behavior, size, surface color, and composition. Aims: The dwarf planet (136108) Haumea is among the largest transneptunian objects (TNOs) and is a very fast rotator (~3.9 h). This dwarf planet displays a highly elongated shape and hosts two small moons that are covered with crystalline water ice, similar to their central body. A particular region of interest is the Dark Red Spot (DRS) identified on the surface of Haumea from multiband light-curve analysis (Lacerda et al. 2008). Haumea is also known to be the largest member of the sole TNO family known to date, and an outcome of a catastrophic collision that is likely responsible for the unique characteristics of Haumea. Methods: We report here on the analysis of a new set of near-infrared Laser Guide Star assisted observations of Haumea obtained with the Integral Field Unit (IFU) Spectrograph for INtegral Field Observations in the Near Infrared (SINFONI) at the European Southern Observatory (ESO) Very Large Telescope (VLT) Observatory. Combined with previous data published by Dumas et al. (2011), and using light-curve measurements in the optical and far infrared to associate each spectrum with its corresponding rotational phase, we were able to carry out a rotationally resolved spectroscopic study of the surface of Haumea. Results: We describe the physical characteristics of the crystalline water ice present on the surface of Haumea for both regions, in and out of the DRS, and analyze the differences obtained for each individual spectrum. The presence of crystalline water ice is confirmed over more than half of the surface of Haumea. Our measurements of the average spectral slope (1.45 ± 0.82% by 100 nm) confirm the redder characteristic of the spot region. Detailed analysis of the crystalline water-ice absorption bands do not show significant differences between the DRS and the

  11. Multi-Object Spectroscopy with the James Webb Space Telescope’s Near Infrared Spectrograph: Observing Resolved Stellar Populations

    NASA Astrophysics Data System (ADS)

    Gilbert, Karoline; Karakla, Diane M.; Beck, Tracy

    2015-08-01

    The James Webb Space Telescope’s (JWST) Near Infrared Spectrograph (NIRSpec) will provide a multi-object spectroscopy mode through the four Micro-Shutter Arrays (MSAs). Each MSA is a grid of contiguous shutters that can be configured to form slits on more than 100 astronomical targets simultaneously. The combination of JWST’s sensitivity and superb resolution in the infrared and NIRSpec’s full wavelength coverage from 0.6 to 5 μm will open new parameter space for studies of galaxies and resolved stellar populations alike. We describe a NIRSpec MSA observing scenario for obtaining spectroscopy of individual stars in an external galaxy, and investigate the technical challenges posed by this scenario. We examine the multiplexing capability of the MSA as a function of the possible MSA configuration design choices, and investigate the primary sources of error in velocity measurements and the prospects for minimizing them. We give examples of how this and other use cases are guiding development of the NIRSpec user interfaces, including proposal planning and pipeline calibrations.

  12. Spatially resolved optical and near-infrared spectroscopy of the low-metallicity galaxy UGC 4483

    NASA Technical Reports Server (NTRS)

    Skillman, Evan D.; Televich, Roberto J.; Kennicutt, Robert C., Jr.; Garnett, Donald R.; Terlevich, Elena

    1994-01-01

    UGC 4483 is a dwarf irregular galaxy in the M81 group. Narrow-band imaging has revealed an H II region in UGC 4483 with an H alpha flux approximately = 1 x 10 (exp - 13) ergs/sq cm/s. Optical and near-infrared spectroscopy of this H ll region yields He, N, O, Ne, and S abundances for the interstellar matter (ISM) in this galaxy. The spectra were acquired with several different telescope/instrument combinations in order to assess the quality of the derived uncertainties. With oxygen abundance of 3.3 x 10 (exp -5) (12 + log (O/H) = 7.5), this galaxy is similar to GR 8 and among the most metal poor dwarf irregulars known to date. However, the H II region in UGC 4483 has high excitation and higher surface brightness than GR 8, allowing very accurate abundance estimates. The N/O ratio is 3%, in good agreement with other low-metallicity dwarf galaxies. The S/O abundance ratio in UGC 4483 is close to the solar ratio, consistent with results for I Zw 18 and other low-metallicity dwarf irregulars. A He/H abundance of 0.079 +/- 0.002 is derived from observations of the lambda 6678 He ll emission line. A comparison of observations obtained with different telescopes and with the same telescope on different nights supports our relatively small estimated uncertainty in this measurement. We determine that the neutral helium fraction is insignificant through both direct observations of the He(+)/H(+) ratio across the nebula and through photoionization modeling. This results in a helium mass fraction of 0.239 +/- 0.006, consistent with the most recent theoretical and observational determinations of the primordial helium abundance. We also discuss remaining systematic uncertainties in the calculation of the primordial helium abundance

  13. Spatially resolved optical and near-infrared spectroscopy of the low-metallicity galaxy UGC 4483

    NASA Technical Reports Server (NTRS)

    Skillman, Evan D.; Televich, Roberto J.; Kennicutt, Robert C., Jr.; Garnett, Donald R.; Terlevich, Elena

    1994-01-01

    UGC 4483 is a dwarf irregular galaxy in the M81 group. Narrow-band imaging has revealed an H II region in UGC 4483 with an H alpha flux approximately = 1 x 10 (exp - 13) ergs/sq cm/s. Optical and near-infrared spectroscopy of this H ll region yields He, N, O, Ne, and S abundances for the interstellar matter (ISM) in this galaxy. The spectra were acquired with several different telescope/instrument combinations in order to assess the quality of the derived uncertainties. With oxygen abundance of 3.3 x 10 (exp -5) (12 + log (O/H) = 7.5), this galaxy is similar to GR 8 and among the most metal poor dwarf irregulars known to date. However, the H II region in UGC 4483 has high excitation and higher surface brightness than GR 8, allowing very accurate abundance estimates. The N/O ratio is 3%, in good agreement with other low-metallicity dwarf galaxies. The S/O abundance ratio in UGC 4483 is close to the solar ratio, consistent with results for I Zw 18 and other low-metallicity dwarf irregulars. A He/H abundance of 0.079 +/- 0.002 is derived from observations of the lambda 6678 He ll emission line. A comparison of observations obtained with different telescopes and with the same telescope on different nights supports our relatively small estimated uncertainty in this measurement. We determine that the neutral helium fraction is insignificant through both direct observations of the He(+)/H(+) ratio across the nebula and through photoionization modeling. This results in a helium mass fraction of 0.239 +/- 0.006, consistent with the most recent theoretical and observational determinations of the primordial helium abundance. We also discuss remaining systematic uncertainties in the calculation of the primordial helium abundance

  14. Temperature-dependent downhill unfolding of ubiquitin. I. Nanosecond-to-millisecond resolved nonlinear infrared spectroscopy.

    PubMed

    Chung, Hoi Sung; Tokmakoff, Andrei

    2008-07-01

    Transient thermal unfolding of ubiquitin is investigated using nonlinear infrared spectroscopy after a nanosecond laser temperature jump (T-jump). The abrupt change in the unfolding free energy surface and the ns time resolution allow us to observe a fast response on ns to micros time-scales, which we attribute to downhill unfolding, before a cross-over to ms kinetics. The downhill unfolding by a sub-population of folded proteins is induced through a shift of the barrier toward the native state. By adjusting the T-jump width, the effect of the initial (T(i)) and final (T(f)) temperature on the unfolding dynamics can be separated. From the amplitude of the fast downhill unfolding, the fractional population prepared at the unfolding transition state is obtained. This population increases with both T(i) and with T(f). A two-state kinetic analysis of the ms refolding provides thermodynamic information about the barrier height. By a combination of the fast and slow unfolding and folding parameters, a quasi-two-state kinetic analysis is performed to calculate the time-dependent population changes of the folded state. This calculation coincides with the experimentally obtained population changes at low temperature but deviations are found in the T-jump from 67 to 78 degrees C. Using temperature-dependent barrier height changes, a temperature Phi value analysis is performed. The result shows a decreasing trend of Phi(T) with temperature, which indicates an increase of the heterogeneity of the transition state. We conclude that ubiquitin unfolds along a well-defined pathway at low temperature which expands with increasing temperature to include multiple routes.

  15. Time-resolved vibrational spectroscopy

    SciTech Connect

    Tokmakoff, Andrei; Champion, Paul; Heilweil, Edwin J.; Nelson, Keith A.; Ziegler, Larry

    2009-05-14

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

  16. The H + OCS hot atom reaction - CO state distributions and translational energy from time-resolved infrared absorption spectroscopy

    NASA Technical Reports Server (NTRS)

    Nickolaisen, Scott L.; Cartland, Harry E.

    1993-01-01

    Time-resolved infrared diode laser spectroscopy has been used to probe CO internal and translational excitation from the reaction of hot H atoms with OCS. Product distributions should be strongly biased toward the maximum 1.4 eV collision energy obtained from 278 nm pulsed photolysis of HI. Rotations and vibrations are both colder than predicted by statistical density of states theory, as evidenced by large positive surprisal parameters. The bias against rotation is stronger than that against vibration, with measurable population as high as v = 4. The average CO internal excitation is 1920/cm, accounting for only 13 percent of the available energy. Of the energy balance, time-resolved sub-Doppler line shape measurements show that more than 38 percent appears as relative translation of the separating CO and SH fragments. Studies of the relaxation kinetics indicate that some rotational energy transfer occurs on the time scale of our measurements, but the distributions do not relax sufficiently to alter our conclusions. Vibrational distributions are nascent, though vibrational relaxation of excited CO is unusually fast in the OCS bath, with rates approaching 3 percent of gas kinetic for v = 1.

  17. Time-resolved Fourier transform infrared spectroscopy of chemical reactions in solution using a focal plane array detector.

    PubMed

    Kaun, N; Vellekoop, M J; Lendl, B

    2006-11-01

    A Fourier transform infrared (FT-IR) microscope equipped with a single as well as a 64 x 64 element focal plane array MCT detector was used to measure chemical reaction taking place in a microstructured flow cell designed for time-resolved FT-IR spectroscopy. The flow cell allows transmission measurements through aqueous solutions and incorporates a microstructured mixing unit. This unit achieves lamination of the two input streams with a cross-section of 300 x 5 microm each, resulting in fast diffusion-controlled mixing of the two input streams. Microscopic measurement at defined positions along the outlet channel allows time-resolved information of the reaction taking place in the flow cell to be obtained. In this paper we show experimental results on the model reaction between formaldehyde and sulfite. Using the single-point MCT detector, high-quality FT-IR spectra could be obtained from a spot size of 80 x 200 microm whereas the FPA detector allowed recording light from an area of 260 x 260 microm focused on its 64 x 64 detector elements. Therefore, more closely spaced features could be discerned at the expense of a significantly lower signal-to-noise (S/N) ratio per spectrum. Multivariate curve resolution-alternating least squares was used to extract concentration profiles of the reacting species along the outlet channel axis.

  18. The H + OCS hot atom reaction - CO state distributions and translational energy from time-resolved infrared absorption spectroscopy

    NASA Technical Reports Server (NTRS)

    Nickolaisen, Scott L.; Cartland, Harry E.

    1993-01-01

    Time-resolved infrared diode laser spectroscopy has been used to probe CO internal and translational excitation from the reaction of hot H atoms with OCS. Product distributions should be strongly biased toward the maximum 1.4 eV collision energy obtained from 278 nm pulsed photolysis of HI. Rotations and vibrations are both colder than predicted by statistical density of states theory, as evidenced by large positive surprisal parameters. The bias against rotation is stronger than that against vibration, with measurable population as high as v = 4. The average CO internal excitation is 1920/cm, accounting for only 13 percent of the available energy. Of the energy balance, time-resolved sub-Doppler line shape measurements show that more than 38 percent appears as relative translation of the separating CO and SH fragments. Studies of the relaxation kinetics indicate that some rotational energy transfer occurs on the time scale of our measurements, but the distributions do not relax sufficiently to alter our conclusions. Vibrational distributions are nascent, though vibrational relaxation of excited CO is unusually fast in the OCS bath, with rates approaching 3 percent of gas kinetic for v = 1.

  19. Relation between the OH stretching frequency and the OO distance in time-resolved infrared spectroscopy of hydrogen bonding

    NASA Astrophysics Data System (ADS)

    Bratos, Savo; Leicknam, Jean-Claude; Pommeret, Stanislas

    2009-05-01

    A non-empirical theory is presented to study the relation between the OH stretching frequency and the OO distance in ultrafast laser spectra of water. Diluted solutions HDO/DO rather than pure HO were considered to switch off resonant vibrational interactions between water molecules; the local structure of water as well as the OO distribution functions remain unchanged in this substitution. Only times superior to 100-200fs are considered to avoid perturbations generated by collisions between water molecules. It is then shown that the Novak-Mikenda type relations between the OH stretching frequency and the OO distance largely survive when going from equilibrium to laser perturbed non-equilibrium systems. It is also shown that temporally varying infrared pump-probe profiles of OH stretching bands in HDO/DO closely parallel the oxygen-oxygen distribution functions of these solutions. Infrared pump-probe spectroscopy can thus replace time-resolved X-ray diffraction in this particular case.

  20. Noninvasive observation of skeletal muscle contraction using near-infrared time-resolved reflectance and diffusing-wave spectroscopy

    NASA Astrophysics Data System (ADS)

    Belau, Markus; Ninck, Markus; Hering, Gernot; Spinelli, Lorenzo; Contini, Davide; Torricelli, Alessandro; Gisler, Thomas

    2010-09-01

    We introduce a method for noninvasively measuring muscle contraction in vivo, based on near-infrared diffusing-wave spectroscopy (DWS). The method exploits the information about time-dependent shear motions within the contracting muscle that are contained in the temporal autocorrelation function g(1)(τ,t) of the multiply scattered light field measured as a function of lag time, τ, and time after stimulus, t. The analysis of g(1)(τ,t) measured on the human M. biceps brachii during repetitive electrical stimulation, using optical properties measured with time-resolved reflectance spectroscopy, shows that the tissue dynamics giving rise to the speckle fluctuations can be described by a combination of diffusion and shearing. The evolution of the tissue Cauchy strain e(t) shows a strong correlation with the force, indicating that a significant part of the shear observed with DWS is due to muscle contraction. The evolution of the DWS decay time shows quantitative differences between the M. biceps brachii and the M. gastrocnemius, suggesting that DWS allows to discriminate contraction of fast- and slow-twitch muscle fibers.

  1. Time-Resolved Spectroscopy and Near Infrared Imaging for Prostate Cancer Detection: Receptor-targeted and Native Biomarker

    NASA Astrophysics Data System (ADS)

    Pu, Yang

    Optical spectroscopy and imaging using near-infrared (NIR) light provides powerful tools for non-invasive detection of cancer in tissue. Optical techniques are capable of quantitative reconstructions maps of tissue absorption and scattering properties, thus can map in vivo the differences in the content of certain marker chromophores and/or fluorophores in normal and cancerous tissues (for example: water, tryptophan, collagen and NADH contents). Potential clinical applications of optical spectroscopy and imaging include functional tumor detection and photothermal therapeutics. Optical spectroscopy and imaging apply contrasts from intrinsic tissue chromophores such as water, collagen and NADH, and extrinsic optical contrast agents such as Indocyanine Green (ICG) to distinguish disease tissue from the normal one. Fluorescence spectroscopy and imaging also gives high sensitivity and specificity for biomedical diagnosis. Recent developments on specific-targeting fluorophores such as small receptor-targeted dye-peptide conjugate contrast agent offer high contrast between normal and cancerous tissues hence provide promising future for early tumour detection. This thesis focus on a study to distinguish the cancerous prostate tissue from the normal prostate tissues with enhancement of specific receptor-targeted prostate cancer contrast agents using optical spectroscopy and imaging techniques. The scattering and absorption coefficients, and anisotropy factor of cancerous and normal prostate tissues were investigated first as the basis for the biomedical diagnostic and optical imaging. Understanding the receptors over-expressed prostate cancer cells and molecular target mechanism of ligand, two small ICG-derivative dye-peptides, namely Cypate-Bombesin Peptide Analogue Conjugate (Cybesin) and Cypate-Octreotate Peptide Conjugate (Cytate), were applied to study their clinical potential for human prostate cancer detection. In this work, the steady-state and time-resolved

  2. Rotationally-Resolved Infrared Spectroscopy of the νb{16} Band of 1,3,5-TRIOXANE

    NASA Astrophysics Data System (ADS)

    Gibson, Bradley M.; Koeppen, Nicole; McCall, Benjamin J.

    2015-06-01

    1,3,5-trioxane is the simplest cyclic form of polyoxymethylene (POM), a class of formaldehyde polymers that has been proposed as the origin of distributed formaldehyde formation in comet comae and a potential source of formaldehyde in prebiotic chemistry. Although claimed POM detections have since been proven to be inconclusive, laboratory simulations of cometary conditions have yielded trioxane and other POMs While the microwave spectrum of 1,3,5-trioxane has been studied extensively, 4-7.}, to date only one rotationally-resolved ro-vibrational spectrum has been published. Here, we present our studies of the νb{16} band of gas-phase trioxane centered at 1177 wn. Trioxane was entrained in a supersonic expansion of argon and characterized by continuous-wave cavity ringdown spectroscopy using an etalon-stabilized external-cavity quantum cascade laser. Rotationally resolved spectra were obtained with less than 15 MHz resolution. Cottin, H., Bénilan, Y., Gazeau, M-C., and Raulin, F. Origin of Cometary Extended Sources from Degradation of Refractory Organics on Grains: Polyoxymethylene as Formaldehyde Parent Molecule. Icarus 167 (2004), 397-416. Oka, T., Tsuchiya, K., Iwata, S., and Morino, Y. Microwave Spectrum of s-Trioxane. Bull. Chem. Soc. Jpn. 37 (1964), 4-7. Henninot, J-F., Bolvin, H., Demaison, J., and Lemoine, B. The Infrared Spectrum of Trioxane in a Supersonic Slit Jet. J. Mol. Spect. 152 (1992), 62-68. Gibson, B.M. and McCall, B.J., contribution TJ08, presented at the 69th International Symposium on Molecular Spectroscopy, Urbana, IL, USA, 2014.

  3. Applications of the Infrared Free Electron Laser in Nonlinear and Time-Resolved Spectroscopy

    NASA Astrophysics Data System (ADS)

    Fann, Wunshain

    1990-01-01

    Free Electron Lasers (FEL) have been envisioned as novel radiation sources tunable over a wide spectral range. In this dissertation I report two types of experiments that used the infrared FEL, Mark III, to study nonlinear optical properties of conjugated polymers and the possibility of long lived vibrational excitations in acetanilide, a hydrogen-bonded molecular crystal.

  4. Spatially resolved optical and near-infrared spectroscopy of I Zw 18

    NASA Technical Reports Server (NTRS)

    Skillman, Evan D.; Kennicutt, Robert C., Jr.

    1993-01-01

    Long-slit optical and near-IR spectroscopy are presented for the bright NW and faint SE components of the oxygen-poor H II galaxy I Zw 18, yielding physical conditions and O, N, S, and He abundances for these components. All of the elemental abundances for the two components of I Zw 18 are equal (within errors), thereby placing constraints on evolutionary theories for this system.

  5. Time resolved spectroscopy of infrared emitting Ag2S nanocrystals for subcutaneous thermometry.

    PubMed

    Santos, H D A; Ruiz, D; Lifante, G; Jacinto, C; Juarez, B H; Jaque, D

    2017-02-16

    We report a systematic investigation on the temperature dependence of fluorescence decay dynamics of infrared emitting colloidal Ag2S nanocrystals (NCs) with different surface coatings. The drastic lifetime reduction in the biological temperature range (20-50 °C) makes Ag2S NCs outstanding candidates for high sensitivity subcutaneous lifetime-based thermal sensing in the second biological window (1000-1400 nm). Indeed, the lifetime thermal sensitivity of Ag2S NCs has been found to be as large as 3-4% °C(-1) at an operating wavelength of 1250 nm. Their application for lifetime-based luminescence nanothermometry has been demonstrated through simple ex vivo experiments specially designed to elucidate the magnitude of subcutaneous thermal gradients. Experimental data were found to be in excellent agreement with numerical simulations.

  6. Sol-to-Gel Transition in Fast Evaporating Systems Observed by in Situ Time-Resolved Infrared Spectroscopy.

    PubMed

    Innocenzi, Plinio; Malfatti, Luca; Carboni, Davide; Takahashi, Masahide

    2015-06-22

    The in situ observation of a sol-to-gel transition in fast evaporating systems is a challenging task and the lack of a suitable experimental design, which includes the chemistry and the analytical method, has limited the observations. We synthesise an acidic sol, employing only tetraethylorthosilicate, SiCl4 as catalyst and deuterated water; the absence of water added to the sol allows us to follow the absorption from the external environment and the evaporation of deuterated water. The time-resolved data, obtained by attenuated total reflection infrared spectroscopy on an evaporating droplet, enables us to identify four different stages during evaporation. They are linked to specific hydrolysis and condensation rates that affect the uptake of water from external environment. The second stage is characterized by a decrease in hydroxyl content, a fast rise of condensation rate and an almost stationary absorption of water. This stage has been associated with the sol-to-gel transition. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Continuous monitoring of absolute cerebral blood flow by combining diffuse correlation spectroscopy and time-resolved near-infrared technology

    NASA Astrophysics Data System (ADS)

    Diop, Mamadou; Lee, Ting-Yim; St. Lawrence, Keith

    2011-02-01

    Continuous bedside monitoring of cerebral blood flow (CBF) in patients recovering from brain injury could improve the detection of impaired substrate delivery, which can exacerbate injury and worsen outcome. Diffuse correlation spectroscopy (DCS) provides the ability to monitor perfusion changes continuously, but it is difficult to quantify absolute blood flow - leading to uncertainties as to whether or not CBF has fallen to ischemic levels. To continuously measure CBF, we propose to calibrate DCS data using a single time-point, time-resolved near-infrared (TR-NIR) technique for measuring absolute CBF. Experiments were conducted on newborn piglets in which CBF was increased by raising the arterial tension of CO2 (40-62 mmHg) and decreased by carotid occlusion. For validation, values of CBF measured by TR-NIR were converted into blood flow changes and compared to CBF changes measured by DCS. A strong correlation between perfusion changes from the two techniques was revealed (slope = 0.98 and R2 = 0.96), suggesting that a single time-point CBF measurement by TR-NIR can be used to convert continuous DCS data into units of CBF (ml/100g/min).

  8. Time-Resolved Frequency Comb Spectroscopy of Transient Free Radicals in the Mid-Infrared Spectral Region

    NASA Astrophysics Data System (ADS)

    Bjork, Bryce J.; Fleisher, Adam J.; Changala, Bryan; Bui, Thinh Quoc; Cossel, Kevin; Okumura, Mitchio; Ye, Jun

    2014-06-01

    The chemical kinetics of transient free radicals, such as HOCO and Criegee intermediates, play important roles in combustion and atmospheric processes. Establishing accurate kinetics models for these complex systems require knowledge of the reaction rates and lifetimes of all molecules along a particular reaction pathway. However, standard spectroscopic techniques lack a combination of sensitivity, frequency resolution, and adequate temporal resolution to survey these reactions on the μs timescale. To answer this challenge, we have developed time-resolved frequency comb spectroscopy (TRFCS). This novel technique allows for the detection of transient intermediates with high time-resolution and sensitivity while also permitting the direct determination of rotational state distributions of all relevant molecules. We demonstrate this technique in the mid-infrared spectral region, at 3.7 μm, by studying the photolysis of deuterated acrylic acid. We simultaneously observe the time-dependent concentrations of photoproducts trans-DOCO, HOD, and D_2O, identified through their unique rovibrational structure, with 5 × 1010 molecules cm-3 sensitivity, and with a time resolution of 25 μs. We aim to apply this technique to detect directly the formation of the DOCO intermediate in the OD + CO chemical reaction at atmospherically relevant pressures, in order to validate statistical rate models of this reaction.

  9. Dynamics of cortical neurovascular coupling analyzed by simultaneous DC-magnetoencephalography and time-resolved near-infrared spectroscopy.

    PubMed

    Mackert, Bruno-Marcel; Leistner, Stefanie; Sander, Tilmann; Liebert, Adam; Wabnitz, Heidrun; Burghoff, Martin; Trahms, Lutz; Macdonald, Rainer; Curio, Gabriel

    2008-02-01

    Functional magnetic resonance imaging (fMRI) visualizes activated brain areas with a high spatial resolution. The activation signal is determined by the local change of cerebral blood oxygenation, blood volume and blood flow which serve as surrogate marker for the neuronal signal itself. Here, the complex coupling between these parameters and the electrophysiologic activity is characterized non-invasively in humans during a simple motor task using simultaneously DC-magnetoencephalography (DC-MEG), for the detection of neuronal signals, and time-resolved near-infrared spectroscopy (trNIRS), for cortical metabolic/vascular responses: over the left primary motor cortex hand area of healthy subjects DC-fields and trNIRS parameters followed closely the 30 s motor task cycles, i.e., finger movements of the right hand alternating with rest. In subjects showing a sufficient signal-to-noise ratio the analysis of variance of photon time of flight proved that the task-related trNIRS changes originated from the cortex. While onset and relaxation started simultaneously, trNIRS signals reached 50% of the maximum level 1-4 s later than the DC-MEG-signals. The non-invasive 'dual' setup helps to characterize simultaneously the two complementary aspects of the 'hemodynamic inverse problem', i.e., the coupling of neuronal and vascular/metabolic signals, in healthy subjects and provides a new analysis perspective for pathophysiological coupling concepts in diverse diseases, e.g., in stroke, hypertension and Alzheimer's disease.

  10. Probing the solvation structure and dynamics in ionic liquids by time-resolved infrared spectroscopy of 4-(dimethylamino)benzonitrile.

    PubMed

    Ando, Rômulo A; Brown-Xu, Samantha E; Nguyen, Lisa N Q; Gustafson, Terry L

    2017-09-20

    In this work we demonstrate the use of the push-pull model system 4-(dimethylamino)benzonitrile (DMABN) as a convenient molecular probe to investigate the local solvation structure and dynamics by means of time-resolved infrared spectroscopy (TRIR). The photochemical features associated with this system provide several advantages due to the high charge separation between the ground and charge transfer states involving the characteristic nitrile bond, and an excited state lifetime that is long enough to observe the slow solvation dynamics in organic solvents and ionic liquids. The conversion from a locally excited state to an intramolecular charge transfer state (LE-ICT) in ionic liquids shows similar kinetic lifetimes in comparison to organic solvents. This similarity confirms that such conversion depends solely on the intramolecular reorganization of DMABN in the excited state, and not by the dynamics of solvation. In contrast, the relative shift of the ν(CN) vibration during the relaxation of the ICT state reveals two distinct lifetimes that are sensitive to the solvent environment. This study reveals a fast time component which is attributed to the dipolar relaxation of the solvent and a slower time component related to the rotation of the dimethylamino group of DMABN.

  11. Influence of cutaneous and muscular circulation on spatially resolved versus standard Beer–Lambert near‐infrared spectroscopy

    PubMed Central

    Messere, Alessandro; Roatta, Silvestro

    2013-01-01

    Abstract The potential interference of cutaneous circulation on muscle blood volume and oxygenation monitoring by near‐infrared spectroscopy (NIRS) remains an important limitation of this technique. Spatially resolved spectroscopy (SRS) was reported to minimize the contribution of superficial tissue layers in cerebral monitoring but this characteristic has never been documented in muscle tissue monitoring. This study aims to compare SRS with the standard Beer–Lambert (BL) technique in detecting blood volume changes selectively induced in muscle and skin. In 16 healthy subjects, the biceps brachii was investigated during isometric elbow flexion at 70% of the maximum voluntary contractions lasting 10 sec, performed before and after exposure of the upper arm to warm air flow. From probes applied over the muscle belly the following variables were recorded: total hemoglobin index (THI, SRS‐based), total hemoglobin concentration (tHb, BL‐based), tissue oxygenation index (TOI, SRS‐based), and skin blood flow (SBF), using laser Doppler flowmetry. Blood volume indices exhibited similar changes during muscle contraction but only tHb significantly increased during warming (+5.2 ± 0.7 μmol/L·cm, an effect comparable to the increase occurring in postcontraction hyperemia), accompanying a 10‐fold increase in SBF. Contraction‐induced changes in tHb and THI were not substantially affected by warming, although the tHb tracing was shifted upward by (5.2 ± 3.5 μmol/L·cm, P < 0.01). TOI was not affected by cutaneous warming. In conclusion, SRS appears to effectively reject interference by SBF in both muscle blood volume and oxygenation monitoring. Instead, BL‐based parameters should be interpreted with caution, whenever changes in cutaneous perfusion cannot be excluded. PMID:24744858

  12. Influence of cutaneous and muscular circulation on spatially resolved versus standard Beer-Lambert near-infrared spectroscopy.

    PubMed

    Messere, Alessandro; Roatta, Silvestro

    2013-12-01

    The potential interference of cutaneous circulation on muscle blood volume and oxygenation monitoring by near-infrared spectroscopy (NIRS) remains an important limitation of this technique. Spatially resolved spectroscopy (SRS) was reported to minimize the contribution of superficial tissue layers in cerebral monitoring but this characteristic has never been documented in muscle tissue monitoring. This study aims to compare SRS with the standard Beer-Lambert (BL) technique in detecting blood volume changes selectively induced in muscle and skin. In 16 healthy subjects, the biceps brachii was investigated during isometric elbow flexion at 70% of the maximum voluntary contractions lasting 10 sec, performed before and after exposure of the upper arm to warm air flow. From probes applied over the muscle belly the following variables were recorded: total hemoglobin index (THI, SRS-based), total hemoglobin concentration (tHb, BL-based), tissue oxygenation index (TOI, SRS-based), and skin blood flow (SBF), using laser Doppler flowmetry. Blood volume indices exhibited similar changes during muscle contraction but only tHb significantly increased during warming (+5.2 ± 0.7 μmol/L·cm, an effect comparable to the increase occurring in postcontraction hyperemia), accompanying a 10-fold increase in SBF. Contraction-induced changes in tHb and THI were not substantially affected by warming, although the tHb tracing was shifted upward by (5.2 ± 3.5 μmol/L·cm, P < 0.01). TOI was not affected by cutaneous warming. In conclusion, SRS appears to effectively reject interference by SBF in both muscle blood volume and oxygenation monitoring. Instead, BL-based parameters should be interpreted with caution, whenever changes in cutaneous perfusion cannot be excluded.

  13. Application of External-Cavity Quantum Cascade Infrared Lasers to Nanosecond Time-Resolved Infrared Spectroscopy of Condensed-Phase Samples Following Pulse Radiolysis

    SciTech Connect

    Grills, D.C.; Cook, A.R.; Fujita, E.; George, M.W.; Miller, J.R.; Preses, J.M.; Wishart, J.F.

    2010-06-01

    Pulse radiolysis, utilizing short pulses of high-energy electrons from accelerators, is a powerful method for rapidly generating reduced or oxidized species and other free radicals in solution. Combined with fast time-resolved spectroscopic detection (typically in the ultraviolet/visible/near-infrared), it is invaluable for monitoring the reactivity of species subjected to radiolysis on timescales ranging from picoseconds to seconds. However, it is often difficult to identify the transient intermediates definitively due to a lack of structural information in the spectral bands. Time-resolved vibrational spectroscopy offers the structural specificity necessary for mechanistic investigations but has received only limited application in pulse radiolysis experiments. For example, time-resolved infrared (TRIR) spectroscopy has only been applied to a handful of gas-phase studies, limited mainly by several technical challenges. We have exploited recent developments in commercial external-cavity quantum cascade laser (EC-QCL) technology to construct a nanosecond TRIR apparatus that has allowed, for the first time, TRIR spectra to be recorded following pulse radiolysis of condensed-phase samples. Near single-shot sensitivity of DeltaOD <1 x 10(-3) has been achieved, with a response time of <20 ns. Using two continuous-wave EC-QCLs, the current apparatus covers a probe region from 1890-2084 cm(-1), and TRIR spectra are acquired on a point-by-point basis by recording transient absorption decay traces at specific IR wavelengths and combining these to generate spectral time slices. The utility of the apparatus has been demonstrated by monitoring the formation and decay of the one-electron reduced form of the CO(2) reduction catalyst, [Re(I)(bpy)(CO)(3)(CH(3)CN)](+), in acetonitrile with nanosecond time resolution following pulse radiolysis. Characteristic red-shifting of the nu(CO) IR bands confirmed that one-electron reduction of the complex took place. The availability of

  14. Application of external-cavity quantum cascade infrared lasers to nanosecond time-resolved infrared spectroscopy of condensed-phase samples following pulse radiolysis.

    PubMed

    Grills, David C; Cook, Andrew R; Fujita, Etsuko; George, Michael W; Preses, Jack M; Wishart, James F

    2010-06-01

    Pulse radiolysis, utilizing short pulses of high-energy electrons from accelerators, is a powerful method for rapidly generating reduced or oxidized species and other free radicals in solution. Combined with fast time-resolved spectroscopic detection (typically in the ultraviolet/visible/near-infrared), it is invaluable for monitoring the reactivity of species subjected to radiolysis on timescales ranging from picoseconds to seconds. However, it is often difficult to identify the transient intermediates definitively due to a lack of structural information in the spectral bands. Time-resolved vibrational spectroscopy offers the structural specificity necessary for mechanistic investigations but has received only limited application in pulse radiolysis experiments. For example, time-resolved infrared (TRIR) spectroscopy has only been applied to a handful of gas-phase studies, limited mainly by several technical challenges. We have exploited recent developments in commercial external-cavity quantum cascade laser (EC-QCL) technology to construct a nanosecond TRIR apparatus that has allowed, for the first time, TRIR spectra to be recorded following pulse radiolysis of condensed-phase samples. Near single-shot sensitivity of DeltaOD <1 x 10(-3) has been achieved, with a response time of <20 ns. Using two continuous-wave EC-QCLs, the current apparatus covers a probe region from 1890-2084 cm(-1), and TRIR spectra are acquired on a point-by-point basis by recording transient absorption decay traces at specific IR wavelengths and combining these to generate spectral time slices. The utility of the apparatus has been demonstrated by monitoring the formation and decay of the one-electron reduced form of the CO(2) reduction catalyst, [Re(I)(bpy)(CO)(3)(CH(3)CN)](+), in acetonitrile with nanosecond time resolution following pulse radiolysis. Characteristic red-shifting of the nu(CO) IR bands confirmed that one-electron reduction of the complex took place. The availability of

  15. Reduction of O2 slow component by priming exercise: novel mechanistic insights from time-resolved near-infrared spectroscopy

    PubMed Central

    Fukuoka, Yoshiyuki; Poole, David C; Barstow, Thomas J; Kondo, Narihiko; Nishiwaki, Masato; Okushima, Dai; Koga, Shunsaku

    2015-01-01

    Novel time-resolved near-infrared spectroscopy (TR-NIRS), with adipose tissue thickness correction, was used to test the hypotheses that heavy priming exercise reduces the V̇O2 slow component (V̇O2SC) (1) by elevating microvascular [Hb] volume at multiple sites within the quadriceps femoris (2) rather than reducing the heterogeneity of muscle deoxygenation kinetics. Twelve subjects completed two 6-min bouts of heavy work rate exercise, separated by 6 min of unloaded cycling. Priming exercise induced faster overall V̇O2 kinetics consequent to a substantial reduction in the V̇O2SC (0.27 ± 0.12 vs. 0.11 ± 0.09 L·min−1, P < 0.05) with an unchanged primary V̇O2 time constant. An increased baseline for the primed bout [total (Hb + Mb)] (197.5 ± 21.6 vs. 210.7 ± 22.5 μmol L−1, P < 0.01), reflecting increased microvascular [Hb] volume, correlated significantly with the V̇O2SC reduction. At multiple sites within the quadriceps femoris, priming exercise reduced the baseline and slowed the increase in [deoxy (Hb + Mb)]. Changes in the intersite coefficient of variation in the time delay and time constant of [deoxy (Hb + Mb)] during the second bout were not correlated with the V̇O2SC reduction. These results support a mechanistic link between priming exercise-induced increase in muscle [Hb] volume and the reduced V̇O2SC that serves to speed overall V̇O2 kinetics. However, reduction in the heterogeneity of muscle deoxygenation kinetics does not appear to be an obligatory feature of the priming response. PMID:26109190

  16. Vibrational cooling dynamics of a [FeFe]-hydrogenase mimic probed by time-resolved infrared spectroscopy.

    PubMed

    Caplins, Benjamin W; Lomont, Justin P; Nguyen, Son C; Harris, Charles B

    2014-12-11

    Picosecond time-resolved infrared spectroscopy (TRIR) was performed for the first time on a dithiolate bridged binuclear iron(I) hexacarbonyl complex ([Fe₂(μ-bdt)(CO)₆], bdt = benzene-1,2-dithiolate) which is a structural mimic of the active site of the [FeFe]-hydrogenase enzyme. As these model active sites are increasingly being studied for their potential in photocatalytic systems for hydrogen production, understanding their excited and ground state dynamics is critical. In n-heptane, absorption of 400 nm light causes carbonyl loss with low quantum yield (<10%), while the majority (ca. 90%) of the parent complex is regenerated with biexponential kinetics (τ₁ = 21 ps and τ₂ = 134 ps). In order to understand the mechanism of picosecond bleach recovery, a series of UV-pump TRIR experiments were performed in different solvents. The long time decay (τ₂) of the transient spectra is seen to change substantially as a function of solvent, from 95 ps in THF to 262 ps in CCl₄. Broadband IR-pump TRIR experiments were performed for comparison. The measured vibrational lifetimes (T₁(avg)) of the carbonyl stretches were found to be in excellent correspondence to the observed τ₂ decays in the UV-pump experiments, signifying that vibrationally excited carbonyl stretches are responsible for the observed longtime decays. The fast spectral evolution (τ₁) was determined to be due to vibrational cooling of low frequency modes anharmonically coupled to the carbonyl stretches that were excited after electronic internal conversion. The results show that cooling of both low and high frequency vibrational modes on the electronic ground state give rise to the observed picosecond TRIR transient spectra of this compound, without the need to invoke electronically excited states.

  17. Determination of a biological absorber depth utilizing multiple source-detector separations and multiple frequency values of near-infrared time-resolved spectroscopy

    PubMed

    Hemelt; Kang

    1999-07-01

    Visualization of the photon path in scattering media is attempted through the use of frequency response analysis of near-infrared time-resolved spectroscopy (NIR-TRS) spectra. The effect of the source-detector distances and the modulation frequency on the photon path is examined. It was found that the use of multifrequency information could lead to the possibility of obtaining the information of an absorber's depth without increasing the number of measurements.

  18. Effect of the chest wall on the measurement of hemoglobin concentrations by near-infrared time-resolved spectroscopy in normal breast and cancer.

    PubMed

    Yoshizawa, Nobuko; Ueda, Yukio; Nasu, Hatsuko; Ogura, Hiroyuki; Ohmae, Etsuko; Yoshimoto, Kenji; Takehara, Yasuo; Yamashita, Yutaka; Sakahara, Harumi

    2016-11-01

    Optical imaging and spectroscopy using near-infrared light have great potential in the assessment of tumor vasculature. We previously measured hemoglobin concentrations in breast cancer using a near-infrared time-resolved spectroscopy system. The purpose of the present study was to evaluate the effect of the chest wall on the measurement of hemoglobin concentrations in normal breast tissue and cancer. We measured total hemoglobin (tHb) concentration in both cancer and contralateral normal breast using a near-infrared time-resolved spectroscopy system in 24 female patients with breast cancer. Patients were divided into two groups based on menopausal state. The skin-to-chest wall distance was determined using ultrasound images obtained with an ultrasound probe attached to the spectroscopy probe. The apparent tHb concentration of normal breast increased when the skin-to-chest wall distance was less than 20 mm. The tHb concentration in pre-menopausal patients was higher than that in post-menopausal patients. Although the concentration of tHb in cancer tissue was statistically higher than that in normal breast, the contralateral normal breast showed higher tHb concentration than cancer in 9 of 46 datasets. When the curves of tHb concentrations as a function of the skin-to-chest wall distance in normal breast were applied for pre- and post-menopausal patients separately, all the cancer lesions plotted above the curves. The skin-to-chest wall distance affected the measurement of tHb concentration of breast tissue by near-infrared time-resolved spectroscopy. The tHb concentration of breast cancer tissue was more precisely evaluated by considering the skin-to-chest wall distance.

  19. Time-resolved Fourier transform infrared spectroscopy of the polarizable proton continua and the proton pump mechanism of bacteriorhodopsin.

    PubMed Central

    Wang, J; El-Sayed, M A

    2001-01-01

    Nanosecond-to-microsecond time-resolved Fourier transform infrared (FTIR) spectroscopy in the 3000-1000-cm(-1) region has been used to examine the polarizable proton continua observed in bacteriorhodopsin (bR) during its photocycle. The difference in the transient FTIR spectra in the time domain between 20 ns and 1 ms shows a broad absorption continuum band in the 2100-1800-cm(-1) region, a bleach continuum band in the 2500-2150-cm(-1) region, and a bleach continuum band above 2700 cm(-1). According to Zundel (G., J. Mol. Struct. 322:33-42), these continua appear in systems capable of forming polarizable hydrogen bonds. The formation of a bleach continuum suggests the presence of a polarizable proton in the ground state that changes during the photocycle. The appearance of a transient absorption continuum suggests a change in the polarizable proton or the appearance of new ones. It is found that each continuum has a rise time of less than 80 ns and a decay time component of approximately 300 micros. In addition, it is found that the absorption continuum in the 2100-1800-cm(-1) region has a slow rise component of 190 ns and a fast decay component of approximately 60 micros. Using these results and those of the recent x-ray structural studies of bR(570) and M(412) (H. Luecke, B. Schobert, H.T. Richter, J.-P. Cartailler, and J. K., Science 286:255-260), together with the already known spectroscopic properties of the different intermediates in the photocycle, the possible origins of the polarizable protons giving rise to these continua during the bR photocycle are proposed. Models of the proton pump are discussed in terms of the changes in these polarizable protons and the hydrogen-bonded chains and in terms of previously known results such as the simultaneous deprotonation of the protonated Schiff base (PSB) and Tyr185 and the disappearance of water molecules in the proton release channel during the proton pump process. PMID:11159463

  20. Time-resolved diode laser infrared absorption spectroscopy of the nascent HCl in the infrared laser chemistry of 1,2-dichloro-1,1-difluoroethane

    NASA Astrophysics Data System (ADS)

    Dietrich, Peter; Quack, Martin; Seyfang, George

    1990-04-01

    The IR multiphoton excitation and the frequency, fluence and intensity dependence of the IR-laser chemical yields of CF 2ClCH 2Cl have been studied in the fluence range of 1 to 10 J cm -2 yielding a steady-state constant k(st)/ I=0.74×10 6 s -1 MW -1 cm 2 which is approximately independent of intensity. Time-resolved IR absorption spectroscopy with diode laser sources has been used to observe the nascent HCl during the first few 100 ns indicating a population inversion between the levels ν=1, J=4 and ν=2, J=5. At low reactant pressures ( p⩽10 Pa) the time-resolved measurement gives a steady-state rate constant consistent with the theoretical result adjusted to the static yield measurements. The capability of state-selective and time-resolved IR spectroscopy is thus demonstrated, giving real-time determinations of rate constants.

  1. Probing organometallic reactions by time-resolved infrared spectroscopy in solution and in the solid state using quantum cascade lasers.

    PubMed

    Calladine, James A; Horvath, Raphael; Davies, Andrew J; Wriglesworth, Alisdair; Sun, Xue-Zhong; George, Michael W

    2015-05-01

    The photochemistry and photophysics of metal carbonyl compounds (W(CO)6, Cp*Rh(CO)2 (Cp* = η(5)-C5Me5), and fac-[Re(CO)3(4,4'-bpy)2Br] [bpy = bipyridine]) have been examined on the nanosecond timescale using a time-resolved infrared spectrometer with an external cavity quantum cascade laser (QCL) as the infrared source. We show the photochemistry of W(CO)6 in alkane solution is easily monitored, and very sensitive measurements are possible with this approach, meaning it can monitor small transients with absorbance changes less than 10(-6) ΔOD. The C-H activation of Cp*Rh(CO)(C6H12) to form Cp*Rh(CO)(C6H11)H occurs within the first few tens of nanoseconds following photolysis, and we demonstrate that kinetics obtained following deconvolution are in excellent agreement with those measured using an ultrafast laser-based spectrometer. We also show that the high flux and tunability of QCLs makes them suited for solid-state and time-resolved measurements.

  2. Implementation of Time-Resolved Step-Scan Fourier Transform Infrared (FT-IR) Spectroscopy Using a kHz Repetition Rate Pump Laser

    PubMed Central

    MAGANA, DONNY; PARUL, DZMITRY; DYER, R. BRIAN; SHREVE, ANDREW P.

    2011-01-01

    Time-resolved step-scan Fourier transform infrared (FT-IR) spectroscopy has been shown to be invaluable for studying excited-state structures and dynamics in both biological and inorganic systems. Despite the established utility of this method, technical challenges continue to limit the data quality and more wide ranging applications. A critical problem has been the low laser repetition rate and interferometer stepping rate (both are typically 10 Hz) used for data acquisition. Here we demonstrate significant improvement in the quality of time-resolved spectra through the use of a kHz repetition rate laser to achieve kHz excitation and data collection rates while stepping the spectrometer at 200 Hz. We have studied the metal-to-ligand charge transfer excited state of Ru(bipyridine)3Cl2 in deuterated acetonitrile to test and optimize high repetition rate data collection. Comparison of different interferometer stepping rates reveals an optimum rate of 200 Hz due to minimization of long-term baseline drift. With the improved collection efficiency and signal-to-noise ratio, better assignments of the MLCT excited-state bands can be made. Using optimized parameters, carbonmonoxy myoglobin in deuterated buffer is also studied by observing the infrared signatures of carbon monoxide photolysis upon excitation of the heme. We conclude from these studies that a substantial increase in performance of ss-FT-IR instrumentation is achieved by coupling commercial infrared benches with kHz repetition rate lasers. PMID:21513597

  3. Implementation of time-resolved step-scan fourier transform infrared (FT-IR) spectroscopy using a kHz repetition rate pump laser.

    PubMed

    Magana, Donny; Parul, Dzmitry; Dyer, R Brian; Shreve, Andrew P

    2011-05-01

    Time-resolved step-scan Fourier transform infrared (FT-IR) spectroscopy has been shown to be invaluable for studying excited-state structures and dynamics in both biological and inorganic systems. Despite the established utility of this method, technical challenges continue to limit the data quality and more wide ranging applications. A critical problem has been the low laser repetition rate and interferometer stepping rate (both are typically 10 Hz) used for data acquisition. Here we demonstrate significant improvement in the quality of time-resolved spectra through the use of a kHz repetition rate laser to achieve kHz excitation and data collection rates while stepping the spectrometer at 200 Hz. We have studied the metal-to-ligand charge transfer excited state of Ru(bipyridine)(3)Cl(2) in deuterated acetonitrile to test and optimize high repetition rate data collection. Comparison of different interferometer stepping rates reveals an optimum rate of 200 Hz due to minimization of long-term baseline drift. With the improved collection efficiency and signal-to-noise ratio, better assignments of the MLCT excited-state bands can be made. Using optimized parameters, carbonmonoxy myoglobin in deuterated buffer is also studied by observing the infrared signatures of carbon monoxide photolysis upon excitation of the heme. We conclude from these studies that a substantial increase in performance of ss-FT-IR instrumentation is achieved by coupling commercial infrared benches with kHz repetition rate lasers.

  4. Time-resolved visible and infrared absorption spectroscopy data obtained using photosystem I particles with non-native quinones incorporated into the A1 binding site.

    PubMed

    Makita, Hiroki; Hastings, Gary

    2016-06-01

    Time-resolved visible and infrared absorption difference spectroscopy data at both 298 and 77 K were obtained using cyanobacterial menB (-) mutant photosystem I particles with several non-native quinones incorporated into the A1 binding site. Data was obtained for photosystem I particles with phylloquinone (2-methyl-3-phytyl-1,4-naphthoquinone), 2-bromo-1,4-naphthoquinone, 2-chloro-1,4-naphthoquinone, 2-methyl-1,4-naphthoquinone, 2,3-dibromo-1,4-naphthoquinone, 2,3-dichloro-1,4-naphthoquinone, and 9,10-anthraquinone incorporated. Transient absorption data were obtained at 487 and 703 nm in the visible spectral range, and 1950-1100 cm(-1) in the infrared region. Time constants obtained from fitting the time-resolved infrared and visible data are in good agreement. The measured time constants are crucial for the development of appropriate kinetic models that can describe electron transfer processes in photosystem I, "Modeling Electron Transfer in Photosystem I" Makita and Hastings (2016) [1].

  5. Time-resolved step-scan Fourier transform infrared spectroscopy reveals differences between early and late M intermediates of bacteriorhodopsin.

    PubMed Central

    Rödig, C; Chizhov, I; Weidlich, O; Siebert, F

    1999-01-01

    In this report, from time-resolved step-scan Fourier transform infrared investigations from 15 ns to 160 ms, we provide evidence for the subsequent rise of three different M states that differ in their structures. The first state rises with approximately 3 microseconds to only a small percentage. Its structure as judged from amide I/II bands differs in small but well-defined aspects from the L state. The next M state, which appears in approximately 40 microseconds, has almost all of the characteristics of the "late" M state, i.e., it differs considerably from the first one. Here, the L left arrow over right arrow M equilibrium is shifted toward M, although some percentage of L still persists. In the last M state (rise time approximately 130 microseconds), the equilibrium is shifted toward full deprotonation of the Schiff base, and only small additional structural changes take place. In addition to these results obtained for unbuffered conditions or at pH 7, experiments performed at lower and higher pH are presented. These results are discussed in terms of the molecular changes postulated to occur in the M intermediate to allow the shift of the L/M equilibrium toward M and possibly to regulate the change of the accessibility of the Schiff base necessary for effective proton pumping. PMID:10233083

  6. Mapping of calf muscle oxygenation and haemoglobin content during dynamic plantar flexion exercise by multi-channel time-resolved near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Torricelli, Alessandro; Quaresima, Valentina; Pifferi, Antonio; Biscotti, Giovanni; Spinelli, Lorenzo; Taroni, Paola; Ferrari, Marco; Cubeddu, Rinaldo

    2004-03-01

    A compact and fast multi-channel time-resolved near-infrared spectroscopy system for tissue oximetry was developed. It employs semiconductor laser and fibre optics for delivery of optical signals. Photons are collected by eight 1 mm fibres and detected by a multianode photomultiplier. A time-correlated single photon counting board is used for the parallel acquisition of time-resolved reflectance curves. Estimate of the reduced scattering coefficient is achieved by fitting with a standard model of diffusion theory, while the modified Lambert-Beer law is used to assess the absorption coefficient. In vivo measurements were performed on five healthy volunteers to monitor spatial changes in calf muscle (medial and lateral gastrocnemius; MG, LG) oxygen saturation (SmO2) and total haemoglobin concentration (tHb) during dynamic plantar flexion exercise performed at 50% of the maximal voluntary contraction. At rest SmO2 was 73.0 ± 0.9 and 70.5 ± 1.7% in MG and LG, respectively (P = 0.045). At the end of the exercise, SmO2 decreased (69.1 ± 1.8 and 63.8 ± 2.1% in MG and LG, respectively; P < 0.01). The LG desaturation was greater than the MG desaturation (P < 0.02). These results strengthen the role of time-resolved near-infrared spectroscopy as a powerful tool for investigating the spatial and temporal features of muscle SmO2 and tHb.

  7. Static and time-resolved mid-infrared spectroscopy of Hg0.95Cd0.05Cr2Se4 spinel

    NASA Astrophysics Data System (ADS)

    Barsaume, S.; Telegin, A. V.; Sukhorukov, Yu P.; Stavrias, N.; Fedorov, V. A.; Menshchikova, T. K.; Kimel, A. V.

    2017-08-01

    Static and time-resolved mid-infrared spectroscopy of ferromagnetic single crystal Hg0.95Cd0.05Cr2Se4 was performed below the absorption edge, in order to reveal the origin of the electronic transitions contributing to the magneto-optical properties of this material. The mid-infrared spectroscopy reveals a strong absorption peak around 0.236 eV which formerly was assigned to a transition within the selenide-chromium complexes (ν Se-Cr2+). To reveal the sensitivity of the transition to the magnetic order, we performed the studies in a temperature range across the Curie temperature and magnetic fields across the value at which the saturation of ferromagnetic magnetization occurs. Despite the fact that the Curie temperature of this ferromagnetic semiconductor is around 107 K, the intensity of the mid-infrared transition reduces substantially increasing the temperature, so that already at 70 K the absorption peak is hardly visible. Such a dramatic decrease of the oscillator strength is observed simultaneously with the strong red-shift of the absorption edge in the magnetic semiconductor. Employing a time-resolved pump-and-probe technique enabled us to determine the lifetime of the electrons in the excited state of this optical transition. In the temperature range from 7 K to 80 K, the lifetime changes from 3 ps to 6 ps. This behavior agrees with the phenomenon of giant oscillator strength described earlier for weakly bound excitons in nonmagnetic semiconductors.

  8. Time-resolved optical spectroscopy of wood.

    PubMed

    D'Andrea, C; Farina, A; Comelli, D; Pifferi, A; Taroni, P; Valentini, G; Cubeddu, R; Zoia, L; Orlandi, M; Kienle, A

    2008-05-01

    We have proposed and experimentally demonstrated that picosecond time-resolved optical spectroscopy in the visible/near-infrared (NIR) region (700-1040 nm) is a useful technique for noninvasive characterization of wood. This technique has been demonstrated on both softwood and hardwood samples treated in different ways simulating the aging process suffered by waterlogged woods. In all the cases, alterations of absorption and scattering spectra were observed, revealing changes of chemical and structural composition.

  9. The ULTRA Laser System—For Time-Resolved Spectroscopy

    NASA Astrophysics Data System (ADS)

    Parker, Anthony

    2010-08-01

    Time-resolved vibrational spectroscopy (TRVS) has many unique features and capabilities for elucidating the structural changes of transient species across the fs to ms time frame. The recently developed 10 KHz, 10W ULTRA laser system represents the very latest technology. ULTRA's performance and capabilities will be described for the time resolved infrared, 2D infrared and femtosecond stimulated Raman spectroscopy techniques with examples taken from organometallic intermediates, organic excited states and DNA tertiary structure.

  10. Room-temperature vibrational difference spectrum for S2QB-/S1QB of photosystem II determined by time-resolved Fourier transform infrared spectroscopy.

    PubMed

    Zhang, H; Fischer, G; Wydrzynski, T

    1998-04-21

    Time-resolved FTIR spectroscopy has been used to kinetically characterize the vibrational properties of intact photosystem II-enriched membrane samples undergoing the S1QB-to-S2QB- transition at room temperature. To optimize the experimental conditions for the FTIR measurements, oxygen polarographic and variable chlorophyll a fluorescence measurements were used to define the decay of S2 and QA-, respectively. The flash-induced S2QB-/S1QB difference spectra were measured at a temporal resolution of 4.44 s and a spectral resolution of 4 cm-1. An intense positive band is observed at 1480 cm-1 in the difference spectrum and shows a slow decay with a half time of approximately 13 s. Based on its decay kinetics and analogy to the infrared absorption of QA- of photosystem II and QB- in bacterial reaction centers, we conclude that the 1480 cm-1 band arises from QB- of PSII and tentatively assign it to the upsilon(CO) mode of the semiquinone anion QB-. The infrared spectral features attributed to the S1-to-S2 transition of the Mn cluster at room temperature show striking similarity to the S2/S1 difference spectrum measured at cryogenic temperatures (Noguchi, T., Ono, T.-A., and Inoue, Y. (1995) Biochim. Biophys. Acta 1228, 189-200).

  11. Time-resolved Fourier-transform infrared emission spectroscopy of Ag in the (1300-3600)-cm-1 region: Transitions involving f and g states and oscillator strengths

    NASA Astrophysics Data System (ADS)

    Civiš, S.; Matulková, I.; Cihelka, J.; Kubelik, P.; Kawaguchi, K.; Chernov, V. E.

    2010-08-01

    We report on a study of the emission spectra of Ag vapor in a vacuum (10-2 Torr) formed in ablation of an Ag metal target by a high-repetition rate (1.0 kHz) pulsed nanosecond ArF laser (λ=193 nm, output energy of 15 mJ). The time-resolved infrared emission spectrum of Ag was recorded in the 1300- to 3600-cm-1 spectral region using the Fourier transform infrared spectroscopy technique with a resolution of 0.02 cm-1. The time profiles of the measured lines have maxima at 5-6 μs after a laser shot and display nonexponential decay with a decay time of 3-7 μs. The lines reported here are given with an uncertainty of 0.0005-0.016 cm-1. The line classification is performed using relative line strengths expressed in terms of transition dipole matrix elements calculated with the help of the Fues model potential; these calculations show agreement with the large experimental and calculated data sets available in the literature. In addition to these data we also calculate transition probabilities and line and oscillator strengths for a number of transitions in the 1300- to 5000-cm-1 range between (4d10)nlj states of Ag.

  12. The CO oxidation kinetics on supported Pd model catalysts: A molecular beam/in situ time-resolved infrared reflection absorption spectroscopy study

    NASA Astrophysics Data System (ADS)

    Libuda, J.; Meusel, I.; Hoffmann, J.; Hartmann, J.; Piccolo, L.; Henry, C. R.; Freund, H.-J.

    2001-03-01

    Combining molecular beam techniques and time-resolved infrared reflection absorption spectroscopy (TR-IRAS) we have studied the kinetics of the CO oxidation reaction on an alumina-supported Pd model catalyst. The Pd particles are deposited by metal evaporation under ultrahigh vacuum (UHV) conditions onto a well-ordered alumina film, prepared on a NiAl(110) single crystal. Particle size, density and structure of the Pd deposits have been characterized in previous studies. In the low temperature region, transient and steady-state experiments have been performed over a wide range of CO and oxygen fluxes by crossing two effusive molecular beams on the sample surface. We determine the steady-state CO2 production rate as a function of the CO fraction in the impinging gas flux. Simultaneously, the occupation of CO adsorption sites under steady-state conditions is monitored by in situ IR spectroscopy. The origin of different types of CO2 transients is discussed. In particular we focus on the transient CO2 production after switching off the CO beam. For the model catalyst investigated, detailed reaction rate measurements in combination with time-resolved IRAS show that the origin of the particular transient behavior of the supported model system is not due to the presence of specific adsorption sites on small particles, as has been proposed previously. Instead, we show that the transient behavior can be semiquantitatively simulated on the basis of a simple kinetic model considering a homogeneous surface, and accounting for the inhibition of the dissociative adsorption of O2 at high CO coverage. Moreover, it is discussed how the inherent heterogeneity of the supported particle system can additionally enhance the observed effect.

  13. Investigation of verbal and visual working memory by multi-channel time-resolved functional near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Contini, D.; Caffini, M.; Re, R.; Zucchelli, L.; Spinelli, L.; Basso Moro, S.; Bisconti, S.; Ferrari, M.; Quaresima, V.; Cutini, S.; Torricelli, A.

    2013-03-01

    Working memory (WM) is fundamental for a number of cognitive processes, such as comprehension, reasoning and learning. WM allows the short-term maintenance and manipulation of the information selected by attentional processes. The goal of this study was to examine by time-resolved fNIRS neural correlates of the verbal and visual WM during forward and backward digit span (DF and DB, respectively) tasks, and symbol span (SS) task. A neural dissociation was hypothesised between the maintenance and manipulation processes. In particular, a dorsolateral/ventrolateral prefrontal cortex (DLPFC/VLPFC) recruitment was expected during the DB task, whilst a lateralised involvement of Brodmann Area (BA) 10 was expected during the execution of the DF task. Thirteen subjects were monitored by a multi-channel, dual-wavelength (690 and 829 nm) time-resolved fNIRS system during 3 minutes long DF and DB tasks and 4 minutes long SS task. The participants' mean memory span was calculated for each task: DF: 6.46+/-1.05 digits; DB: 5.62+/-1.26 digits; SS: 4.69+/-1.32 symbols. No correlation was found between the span level and the heart rate data (measured by pulse oximeter). As expected, DB elicited a broad activated area, in the bilateral VLPFC and the right DLPFC, whereas a more localised activation was observed over the right hemisphere during either DF (BA 10) or SS (BA 10 and 44). The robust involvement of the DLPFC during DB, compared to DF, is compatible with previous findings and with the key role of the central executive subserving in manipulating processes.

  14. Photodissociation of gaseous CH{sub 3}COSH at 248 nm by time-resolved Fourier-transform infrared emission spectroscopy: Observation of three dissociation channels

    SciTech Connect

    Hu, En-Lan; Tsai, Po-Yu; Fan, He; Lin, King-Chuen

    2013-01-07

    Upon one-photon excitation at 248 nm, gaseous CH{sub 3}C(O)SH is dissociated following three pathways with the products of (1) OCS + CH{sub 4}, (2) CH{sub 3}SH + CO, and (3) CH{sub 2}CO + H{sub 2}S that are detected using time-resolved Fourier-transform infrared emission spectroscopy. The excited state {sup 1}(n{sub O}, {pi}{sup *}{sub CO}) has a radiative lifetime of 249 {+-} 11 ns long enough to allow for Ar collisions that induce internal conversion and enhance the fragment yields. The rate constant of collision-induced internal conversion is estimated to be 1.1 Multiplication-Sign 10{sup -10} cm{sup 3} molecule{sup -1} s{sup -1}. Among the primary dissociation products, a fraction of the CH{sub 2}CO moiety may undergo further decomposition to CH{sub 2}+ CO, of which CH{sub 2} is confirmed by reaction with O{sub 2} producing CO{sub 2}, CO, OH, and H{sub 2}CO. Such a secondary decomposition was not observed previously in the Ar matrix-isolated experiments. The high-resolution spectra of CO are analyzed to determine the ro-vibrational energy deposition of 8.7 {+-} 0.7 kcal/mol, while the remaining primary products with smaller rotational constants are recognized but cannot be spectrally resolved. The CO fragment detected is mainly ascribed to the primary production. A prior distribution method is applied to predict the vibrational distribution of CO that is consistent with the experimental findings.

  15. RESOLVED NEAR-INFRARED SPECTROSCOPY OF WISE J104915.57-531906.1AB: A FLUX-REVERSAL BINARY AT THE L DWARF/T DWARF TRANSITION

    SciTech Connect

    Burgasser, Adam J.; Sheppard, Scott S.; Luhman, K. L.

    2013-08-01

    We report resolved near-infrared spectroscopy and photometry of the recently identified brown dwarf binary WISE J104915.57-531906.1AB, located 2.02 {+-} 0.15 pc from the Sun. Low-resolution spectral data from Magellan/FIRE and IRTF/SpeX reveal strong H{sub 2}O and CO absorption features in the spectra of both components, while the secondary also exhibits weak CH{sub 4} absorption at 1.6 {mu}m and 2.2 {mu}m. Spectral indices and comparison to low-resolution spectral standards indicate component types of L7.5 and T0.5 {+-} 1, the former consistent with the optical classification of the primary. Both sources also have unusually red spectral energy distributions for their spectral types, which we attribute to enhanced condensate opacity (thick clouds). Relative photometry reveals a flux reversal between the J and K bands, with the T dwarf component being brighter in the 0.95-1.3 {mu}m region ({Delta}J = -0.31 {+-} 0.05). As with other L/T transition binaries, this reversal likely reflects the depletion of condensate opacity in the T dwarf, with the contrast enhanced by the thick clouds present in the photosphere of the L dwarf primary. The 1 {mu}m flux from the T dwarf most likely emerges from gaps in its cloud layer, as suggested by the significant optical variability detected from this source by Gillon et al. Component mass measurements of the WISE J1049-5319AB system through astrometric and component radial velocity monitoring may resolve the current debate as to whether the loss of photospheric condensate clouds at the L dwarf/T dwarf boundary is a slow or rapid process, a conceivable endeavor given its proximity, brightness, small separation (3.1 {+-} 0.3 AU), and reasonable orbital period (20-30 yr)

  16. A time-resolved Fourier transformed infrared difference spectroscopy study of the sarcoplasmic reticulum Ca(2+)-ATPase: kinetics of the high-affinity calcium binding at low temperature.

    PubMed Central

    Troullier, A; Gerwert, K; Dupont, Y

    1996-01-01

    We have used time-resolved Fourier transformed infrared difference spectroscopy to characterize the amplitude, frequency, and kinetics of the absorbance changes induced in the infrared (IR) spectrum of sarcoplasmic reticulum Ca(2+)-ATPase by calcium binding at the high-affinity transport sites. 1-(2-Nitro-4,5-dimethoxyphenyl)-N,N,N',N'-tetrakis [(oxycarbonyl)methyl]-1,2-ethanediamine (DM-nitrophen) was used as a caged-calcium compound to trigger the release of calcium in the IR samples. Calcium binding to Ca(2+)-ATPase induces the appearance of spectral bands in difference spectra that are all absent in the presence of the inhibitor thapsigargin. Spectral bands above 1700 cm-1 indicate that glutamic and/or aspartic acid side chains are deprotonated upon calcium binding, whereas other bands may be induced by reactions of asparagine, glutamine, and tyrosine residues. Some of the bands appearing in the 1690-1610 cm-1 region arise from modifications of peptide backbone carbonyl groups. The band at 1653 cm-1 is a candidate for a change in an alpha-helix, whereas other bands could arise from modifications of random, turn, or beta-sheet structures or from main-chain carbonyl groups playing the role of calcium ligands. Only a few residues are involved in secondary structure changes. The kinetic evolution of these bands was recorded at low temperature (-9 degrees C). All bands exhibited a monophasic kinetics of rate constant 0.026 s-1, which is compatible with that measured in previous study at the same temperature in a suspension of sarcoplasmic reticulum vesicles by intrinsic fluorescence of Ca(2+)-ATPase. Images FIGURE 4 FIGURE 5 FIGURE 6 PMID:8968569

  17. Charge carrier resolved relaxation of the first excitonic state in CdSe quantum dots probed with near-infrared transient absorption spectroscopy.

    PubMed

    McArthur, Eric A; Morris-Cohen, Adam J; Knowles, Kathryn E; Weiss, Emily A

    2010-11-18

    This manuscript describes a global regression analysis of near-infrared (NIR, 900-1300 nm) transient absorptions (TA) of colloidal CdSe quantum dots (QDs) photoexcited to their first (1S(e)1S(3/2)) excitonic state. Near-IR TA spectroscopy facilitates charge carrier-resolved analysis of excitonic decay of QDs because signals in the NIR are due exclusively to absorptions of photoexcited electrons and holes, as probe energies in this region are not high enough to induce absorptions across the optical bandgap that crowd the visible TA spectra. The response of each observed component of the excitonic decay to the presence of a hole-trapping ligand (1-octanethiol) and an electron-accepting ligand (1,4-benzoquinone), and comparison of time constants to those for recovery of the ground state bleaching feature in the visible TA spectrum, allow for the assignment of the components to (i) a 1.6 ps hole trapping process, (ii) 19 ps and 274 ps surface-mediated electron trapping processes, and (iii) a ∼5 ns recombination of untrapped electrons.

  18. Conformation transition in silk protein films monitored by time-resolved Fourier transform infrared spectroscopy: effect of potassium ions on Nephila spidroin films.

    PubMed

    Chen, Xin; Knight, David P; Shao, Zhengzhong; Vollrath, Fritz

    2002-12-17

    We used time-resolved Fourier transform infrared spectroscopy (FTIR) to follow a conformation transition in Nephila spidroin film from random coil and/or helical structures to beta-sheet induced by the addition of KCl from 0.01 to 1.0 mol/L in D(2)O. Time series difference spectra showed parallel increases in absorption at 1620 and 1691 cm(-)(1), indicating formation of beta-sheet, together with a coincident loss of intensity of approximately 1650 cm(-)(1), indicating decrease of random coil and/or helical structures. Increase in KCl concentration produced an increased rate of the conformation transition that may attributable to weakening of hydrogen bonds within spidroin macromolecules. The conformation transition was a biphasic process with [KCl] > or = 0.3 mol/L but monophasic with [KCl] < or = 0.1 mol/L. This suggests that, at high KCl concentrations, segments of the molecular chain are adjusted first and then the whole molecule undergoes rearrangement. We discuss the possible significance of these findings to an understanding of the way that spiders spin silk.

  19. Calibration of diffuse correlation spectroscopy with a time-resolved near-infrared technique to yield absolute cerebral blood flow measurements

    PubMed Central

    Diop, Mamadou; Verdecchia, Kyle; Lee, Ting-Yim; St Lawrence, Keith

    2011-01-01

    A primary focus of neurointensive care is the prevention of secondary brain injury, mainly caused by ischemia. A noninvasive bedside technique for continuous monitoring of cerebral blood flow (CBF) could improve patient management by detecting ischemia before brain injury occurs. A promising technique for this purpose is diffuse correlation spectroscopy (DCS) since it can continuously monitor relative perfusion changes in deep tissue. In this study, DCS was combined with a time-resolved near-infrared technique (TR-NIR) that can directly measure CBF using indocyanine green as a flow tracer. With this combination, the TR-NIR technique can be used to convert DCS data into absolute CBF measurements. The agreement between the two techniques was assessed by concurrent measurements of CBF changes in piglets. A strong correlation between CBF changes measured by TR-NIR and changes in the scaled diffusion coefficient measured by DCS was observed (R2 = 0.93) with a slope of 1.05 ± 0.06 and an intercept of 6.4 ± 4.3% (mean ± standard error). PMID:21750781

  20. Assessment of human brown adipose tissue density during daily ingestion of thermogenic capsinoids using near-infrared time-resolved spectroscopy

    NASA Astrophysics Data System (ADS)

    Nirengi, Shinsuke; Homma, Toshiyuki; Inoue, Naohiko; Sato, Hitoshi; Yoneshiro, Takeshi; Matsushita, Mami; Kameya, Toshimitsu; Sugie, Hiroki; Tsuzaki, Kokoro; Saito, Masayuki; Sakane, Naoki; Kurosawa, Yuko; Hamaoka, Takafumi

    2016-09-01

    F18-fluorodeoxyglucose positron emission tomography combined with computed tomography (FDG-PET/CT) is widely used as a standard method for evaluating human brown adipose tissue (BAT), a recognized therapeutic target of obesity. However, a longitudinal BAT study using FDG-PET/CT is lacking owing to limitations of the method. Near-infrared time-resolved spectroscopy (NIRTRS) is a technique for evaluating human BAT density noninvasively. This study aimed to test whether NIRTRS could detect changes in BAT density during or after long-term intervention. First, using FDG-PET/CT, we confirmed a significant increase (+48.8%, P<0.05) in BAT activity in the supraclavicular region after 6-week treatment with thermogenic capsaicin analogs, capsinoids. Next, 20 volunteers were administered either capsinoids or placebo daily for 8 weeks in a double-blind design, and BAT density was measured using NIRTRS every 2 weeks during the 8-week treatment period and an 8-week period after stopping treatment. Consistent with FDG-PET/CT results, NIRTRS successfully detected an increase in BAT density during the 8-week treatment (+46.4%, P<0.05), and a decrease in the 8-week follow-up period (-12.5%, P=0.07), only in the capsinoid-treated, but not the placebo, group. Thus, NIRTRS can be applied for quantitative assessment of BAT in longitudinal intervention studies in humans.

  1. Photolysis of n-butyl nitrite and isoamyl nitrite at 355 nm: A time-resolved Fourier transform infrared emission spectroscopy and ab initio study

    SciTech Connect

    Ji Min; Zhen Junfeng; Zhang Qun; Chen Yang

    2009-05-07

    We report on the photodissociation dynamics study of n-butyl nitrite and isoamyl nitrite by means of time-resolved Fourier transform infrared (TR-FTIR) emission spectroscopy. The obtained TR-FTIR emission spectra of the nascent NO fragments produced in the 355 nm laser photolysis of the two alkyl nitrite species showed an almost identical rotational temperature and vibrational distributions of NO. In addition, a close resemblance between the two species was also found in the measured temporal profiles of the IR emission of NO and the recorded UV absorption spectra. The experimental results are consistent with our ab initio calculations using the time-dependent density functional theory at the B3LYP/6-311G(d,p) level, which indicate that the substitution of one of the two {gamma}-H atoms in n-C{sub 4}H{sub 9}ONO with a methyl group to form (CH{sub 3}){sub 2}C{sub 3}H{sub 5}ONO has only a minor effect on the photodissociation dynamics of the two molecules.

  2. Time resolved long-wave infrared laser-induced breakdown spectroscopy of inorganic energetic materials by a rapid mercury-cadmium-telluride linear array detection system.

    PubMed

    Yang, Clayton S-C; Jin, Feng; Trivedi, Sudhir; Brown, Eiei; Hommerich, Uwe; Khurgin, Jacob B; Samuels, Alan C

    2016-11-10

    A mercury-cadmium-telluride linear array detection system that is capable of rapidly capturing (∼1-5 s) a broad spectrum of atomic and molecular laser-induced breakdown spectroscopy (LIBS) emissions in the long-wave infrared region (LWIR, ∼5.6-10 μm) was recently developed. Similar to the conventional ultraviolet-visible LIBS, a broadband emission spectrum of condensed phase samples covering a 5.6-10 μm spectral region could be acquired from just a single laser-induced micro-plasma. Intense and distinct atomic and molecular LWIR emission signatures of various solid inorganic energetic materials were readily observed and identified. Time resolved emissions of inorganic energetic materials were studied to assess the lifetimes of LWIR atomic and molecular emissions. The LWIR atomic emissions generally decayed fast on the scale of tens of microseconds, while the molecular signature emissions from target molecules excited by the laser-induced plasma appeared to be very long lived (∼millisecond). The time dependence of emission intensities and peak wavelengths of these signature emissions gave an insight into the origin and the environment of the emitting target species. Moreover, observed lifetimes of these LWIR emissions can be utilized for further optimization of the signal quality and detection limits of this technique.

  3. Time-resolved infrared diode laser spectroscopy of the ν1 (C O stretch) band of the CoCO radical

    NASA Astrophysics Data System (ADS)

    Ikeda, Seiki; Hikida, Toshihide; Tanaka, Takehiko; Tanaka, Keiichi

    2008-02-01

    Infrared spectrum of the cobalt carbonyl radical CoCO produced by the 193 nm excimer laser photolysis of cobalt tricarbonyl nitrosyl Co(CO) 3NO was observed by time-resolved diode laser spectroscopy. More than 600 lines were identified as belonging to the ν1 (C-O stretch) fundamental band, consisting of the Ω=5/2 and 3/2 subbands, and the associated hot bands 112, 101211, 101311, and 101222. The 2Δi electronic ground state of CoCO was experimentally confirmed. The ν1 band origins are 1974.172582(93) cm -1 and 1973.53178(14) cm -1 for the Ω=5/2 and 3/2 subbands, respectively. The rotational constant in the ground state was determined as B0=4427.146(50) MHz. The centrifugal distortion constant D0=1.1243(68) kHz was obtained for the Ω=5/2 substate of the ground state. The equilibrium rotational constant Be=4435.44(14) MHz was derived, together with the vibration-rotation interaction constants.

  4. Quantifying time-of-flight-resolved optical field dynamics in turbid media with interferometric near-infrared spectroscopy (iNIRS) (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Borycki, Dawid; Kholiqov, Oybek; Zhou, Wenjun; Srinivasan, Vivek J.

    2017-03-01

    Sensing and imaging methods based on the dynamic scattering of coherent light, including laser speckle, laser Doppler, and diffuse correlation spectroscopy quantify scatterer motion using light intensity (speckle) fluctuations. The underlying optical field autocorrelation (OFA), rather than being measured directly, is typically inferred from the intensity autocorrelation (IA) through the Siegert relationship, by assuming that the scattered field obeys Gaussian statistics. In this work, we demonstrate interferometric near-infrared spectroscopy (iNIRS) for measurement of time-of-flight (TOF) resolved field and intensity autocorrelations in fluid tissue phantoms and in vivo. In phantoms, we find a breakdown of the Siegert relationship for short times-of-flight due to a contribution from static paths whose optical field does not decorrelate over experimental time scales, and demonstrate that eliminating such paths by polarization gating restores the validity of the Siegert relationship. Inspired by these results, we developed a method, called correlation gating, for separating the OFA into static and dynamic components. Correlation gating enables more precise quantification of tissue dynamics. To prove this, we show that iNIRS and correlation gating can be applied to measure cerebral hemodynamics of the nude mouse in vivo using dynamically scattered (ergodic) paths and not static (non-ergodic) paths, which may not be impacted by blood. More generally, correlation gating, in conjunction with TOF resolution, enables more precise separation of diffuse and non-diffusive contributions to OFA than is possible with TOF resolution alone. Finally, we show that direct measurements of OFA are statistically more efficient than indirect measurements based on IA.

  5. Structure of collagen adsorbed on a model implant surface resolved by polarization modulation infrared reflection-absorption spectroscopy.

    PubMed

    Brand, Izabella; Habecker, Florian; Ahlers, Michael; Klüner, Thorsten

    2015-03-05

    The polarization modulation infrared reflection-absorption spectra of collagen adsorbed on a titania surface and quantum chemical calculations are used to describe components of the amide I mode to the protein structure at a sub-molecular level. In this study, imino acid rich and poor fragments, representing the entire collagen molecule, are taken into account. The amide I mode of the collagen triple helix is composed of three absorption bands which involve: (i) (∼1690cm(-1)) the CO stretching modes at unhydrated groups, (ii) (1655-1673cm(-1)) the CO stretching at carbonyl groups at imino acids and glycine forming intramolecular hydrogen bonds with H atoms at both NH2 and, unusual for proteins, CH2 groups at glycine at a neighbouring chain and (iii) (∼1640cm(-1)) the CO stretching at carbonyl groups forming hydrogen bonds between two, often charged, amino acids as well as hydrogen bonds to water along the entire helix. The IR spectrum of films prepared from diluted solutions (c<50μgml(-1)) corresponds to solution spectra indicating that native collagen molecules interact with water adsorbed on the titania surface. In films prepared from solutions (c⩾50μgml(-1)) collagen multilayers are formed. The amide I mode is blue-shifted by 18cm(-1), indicating that intramolecular hydrogen bonds at imino acid rich fragments are weakened. Simultaneous red-shift of the amide A mode implies that the strength of hydrogen bonds at the imino acid poor fragments increases. Theoretically predicted distortion of the collagen structure upon adsorption on the titania surface is experimentally confirmed.

  6. Structure of collagen adsorbed on a model implant surface resolved by polarization modulation infrared reflection-absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Brand, Izabella; Habecker, Florian; Ahlers, Michael; Klüner, Thorsten

    2015-03-01

    The polarization modulation infrared reflection-absorption spectra of collagen adsorbed on a titania surface and quantum chemical calculations are used to describe components of the amide I mode to the protein structure at a sub-molecular level. In this study, imino acid rich and poor fragments, representing the entire collagen molecule, are taken into account. The amide I mode of the collagen triple helix is composed of three absorption bands which involve: (i) (∼1690 cm-1) the Cdbnd O stretching modes at unhydrated groups, (ii) (1655-1673 cm-1) the Cdbnd O stretching at carbonyl groups at imino acids and glycine forming intramolecular hydrogen bonds with H atoms at both NH2 and, unusual for proteins, CH2 groups at glycine at a neighbouring chain and (iii) (∼1640 cm-1) the Cdbnd O stretching at carbonyl groups forming hydrogen bonds between two, often charged, amino acids as well as hydrogen bonds to water along the entire helix. The IR spectrum of films prepared from diluted solutions (c < 50 μg ml-1) corresponds to solution spectra indicating that native collagen molecules interact with water adsorbed on the titania surface. In films prepared from solutions (c ⩾ 50 μg ml-1) collagen multilayers are formed. The amide I mode is blue-shifted by 18 cm-1, indicating that intramolecular hydrogen bonds at imino acid rich fragments are weakened. Simultaneous red-shift of the amide A mode implies that the strength of hydrogen bonds at the imino acid poor fragments increases. Theoretically predicted distortion of the collagen structure upon adsorption on the titania surface is experimentally confirmed.

  7. An Introductory Infrared Spectroscopy Experiment.

    ERIC Educational Resources Information Center

    Hess, Kenneth R.; Smith, Wendy D.; Thomsen, Marcus W.; Yoder, Claude H.

    1995-01-01

    Describes a project designed to introduce infrared spectroscopy as a structure-determination technique. Students are introduced to infrared spectroscopy fundamentals then try to determine the identity of an unknown liquid from its infrared spectrum and molecular weight. The project demonstrates that only rarely can the identity of even simple…

  8. An Introductory Infrared Spectroscopy Experiment.

    ERIC Educational Resources Information Center

    Hess, Kenneth R.; Smith, Wendy D.; Thomsen, Marcus W.; Yoder, Claude H.

    1995-01-01

    Describes a project designed to introduce infrared spectroscopy as a structure-determination technique. Students are introduced to infrared spectroscopy fundamentals then try to determine the identity of an unknown liquid from its infrared spectrum and molecular weight. The project demonstrates that only rarely can the identity of even simple…

  9. Infrared spectroscopy of Mars

    NASA Astrophysics Data System (ADS)

    Kirkland, Laurel Ellyn

    1999-11-01

    When measured with sufficient spectral range, resolution, and signal-to-noise ratio, nearly every mineral has a unique infrared spectral signature. However, determining which minerals are present on Mars using infrared spectroscopy has proven to be very difficult. The goal of this work is to examine complicating factors inherent to spacecraft-based infrared spectral measurements of Mars, and to determine methods to extract mineralogical information from spectra that cover the wavelength range 0.77 to 50 μm. On Earth, infrared spectra of an unknown mineral or gas can be measured under controlled conditions. However, a spacecraft spectrometer measures Mars through both atmospheric gases and aerosols, and at varying viewing geometries. Spectra of the surface of Mars have very subtle variations, so examining them requires well- calibrated spectra of excellent quality, and extended spectral range. These combined effects greatly complicate interpretations. The work presented here details a straightforward method to remove effects of varying viewing geometry on near- infrared spectra of Mars, using 1989 Phobos 2 ISM spectra. Next, it details the recovery and calibration of the 1969 Mariner Mars IRS data set, and presents IRS spectral evidence for goethite on Mars. Finally, a method is developed to utilize night spectra to examine the aerosol mineralogy, followed by a discussion of the importance of accounting for the aerosol re-emission when utilizing day measurements to examine surface mineralogy. This work utilizes spectra from all five infrared spectrometers flown to Mars. It addresses a range of issues, but the unifying theme is how to extract mineralogic information from the spectra. The results show that the most important spectral criteria for determining mineralogy from spacecraft infrared spectra are an extended spectral range, high spectral resolution, and high signal-to-noise ratio. Here, an extended spectral range is defined as coverage of at least two of the

  10. Functional imaging of muscle oxygenation and oxygen consumption in the knee extensor muscles during isometric contractions by spatially resolved near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Kek, Khai Jun; Miyakawa, Takahiro; Kudo, Nobuki; Yamamoto, Katsuyuki

    2007-02-01

    In this study, we showed that exercise type- and intensity-dependent regional differences in muscle oxygenation and oxygen consumption rate (Vo II) of the knee extensor muscles could be imaged in real time with a multi-channel spatially resolved near-infrared spectroscopy (SR-NIRS) imaging device. Healthy subjects performed isometric knee extension exercise for 30 s (without- or with-leg-press action) at different exercise intensities [10%, 40% and 70% of maximum voluntary contraction (MVC)]. "Separation-type" probes were attached to the skin over the major knee extensor muscles: vastus lateralis (VL), rectus femoris (RF) and vastus medialis (VM). Placement of the probes enabled simultaneously measurement of 12 sites over a skin area of about 30 cm2 (temporal resolution = 0.25 s). Local Vo II of each muscle, resting Vo II (Vo II, rest) and recovery Vo II (Vo II, rec ), were determined with arterial occlusion before the start and after the end of contraction, respectively. There was no significant difference between the values of Vo II rest, in the muscles. However, during knee extension exercise without-leg-press action, Vo II rec, value of the RF was significantly greater than the values of the VL and VM at all exercise intensities. In contrast, during exercise with-leg-press action, Vo II rec, values of the RF and VM were greater than those of the VL, especially during exercise at 40% and 70% MVC. In summary, the regional differences in muscle oxygenation and Vo II of the knee extensor muscles, probably due to the differences in relative contributions of muscles to exercise and in muscle architecture, were imaged using SR-NIRS.

  11. Gas-phase photodissociation of CH{sub 3}COCN at 308 nm by time-resolved Fourier-transform infrared emission spectroscopy

    SciTech Connect

    Yeh, Yu-Ying; Chao, Meng-Hsuan; Tsai, Po-Yu; Chang, Yuan-Bin; Tsai, Ming-Tsang; Lin, King-Chuen

    2012-01-28

    By using time-resolved Fourier-transform infrared emission spectroscopy, the fragments of HCN(v= 1, 2) and CO(v= 1-3) are detected in one-photon dissociation of acetyl cyanide (CH{sub 3}COCN) at 308 nm. The S{sub 1}(A'), {sup 1}(n{sub O}, {pi}*{sub CO}) state at 308 nm has a radiative lifetime of 0.46 {+-} 0.01 {mu}s, long enough to allow for Ar collisions that induce internal conversion and enhance the fragment yields. The rate constant of Ar collision-induced internal conversion is estimated to be (1-7) x 10{sup -12} cm{sup 3} molecule{sup -1} s{sup -1}. The measurements of O{sub 2} dependence exclude the production possibility of these fragments via intersystem crossing. The high-resolution spectra of HCN and CO are analyzed to determine the ro-vibrational energy deposition of 81 {+-} 7 and 32 {+-} 3 kJ/mol, respectively. With the aid of ab initio calculations, a two-body dissociation on the energetic ground state is favored leading to HCN + CH{sub 2}CO, in which the CH{sub 2}CO moiety may further undergo secondary dissociation to release CO. The production of CO{sub 2} in the reaction with O{sub 2} confirms existence of CH{sub 2} and a secondary reaction product of CO. The HNC fragment is identified but cannot be assigned, as restricted to a poor signal-to-noise ratio. Because of insufficient excitation energy at 308 nm, the CN and CH{sub 3} fragments that dominate the dissociation products at 193 nm are not detected.

  12. Time-resolved visible and infrared difference spectroscopy for the study of photosystem I with different quinones incorporated into the A1 binding site.

    PubMed

    Makita, Hiroki; Zhao, Nan; Hastings, Gary

    2015-03-01

    Room (298 K) and low (77K) temperature time-resolved visible and infrared difference spectroscopy has been used to study photosystem I particles with phylloquinone (2-methyl-3-phytyl-1,4-naphthoquinone), menadione (2-methyl-1,4-naphthoquinone) and plastoquinone 9 (2,3-dimethyl-5-prenyl-l,4-benzoquinone), incorporated into the A1 binding site. Concentrated samples in short path-length (~5 μm) sample cells are typically used in FTIR experiments. Measurements were undertaken using standard "dilute" samples at 298 K, and concentrated (~5×) samples at both 298 and 77K. No concentration induced alterations in the flash-induced absorption changes were observed. Concentrated samples in short path-length cells form a transparent film at 77K, and could therefore be studied spectroscopically at 77K without addition of a cryoprotectant. At 298 K, for photosystem I with plastoquinone 9/menadione/phylloquinone incorporated, P700+FA/B- radical pair recombination is characterized by a time constant of 3/14/80 ms, and forward electron transfer from A1A- to Fx by a time constant of 211/3.1/0.309 μs, respectively. At 77K, for concentrated photosystem I with menadione/phylloquinone incorporated, P700+A1- radical pair recombination is characterized by a time constant of 240/340 μs, with this process occurring in 58/39% of the PSI particles, respectively. The origin of these differences is discussed. Marcus electron transfer theory in combination with kinetic modeling is used to simulate the observed electron transfer time constants at 298 K. This simulation allows an estimate of the redox potential for the different quinones in the A1 binding site.

  13. Photoionization-induced π↔ H site switching dynamics in phenol(+)-Rg (Rg = Ar, Kr) dimers probed by picosecond time-resolved infrared spectroscopy.

    PubMed

    Miyazaki, Mitsuhiko; Sakata, Yuri; Schütz, Markus; Dopfer, Otto; Fujii, Masaaki

    2016-09-21

    The ionization-induced π↔ H site switching reaction in phenol(+)-Rg (PhOH(+)-Rg) dimers with Rg = Ar and Kr is traced in real time by picosecond time-resolved infrared (ps-TRIR) spectroscopy. The ps-TRIR spectra show the prompt appearance of the non-vanishing free OH stretching band upon resonant photoionization of the π-bound neutral clusters, and the delayed appearance of the hydrogen-bonded (H-bonded) OH stretching band. This result directly proves that the Rg ligand switches from the π-bound site on the aromatic ring to the H-bonded site at the OH group by ionization. The subsequent H →π back reaction converges the dimer to a π↔ H equilibrium. This result is in sharp contrast to the single-step π→ H forward reaction in the PhOH(+)-Ar2 trimer with 100% yield. The reaction mechanism and yield strongly depend on intracluster vibrational energy redistribution. A classical rate equation analysis for the time evolutions of the band intensities of the two vibrations results in similar estimates for the time constants of the π→ H forward reaction of τ+ = 122 and 73 ps and the H →π back reaction of τ- = 155 and 188 ps for PhOH(+)-Ar and PhOH(+)-Kr, respectively. The one order of magnitude slower time constant in comparison to the PhOH(+)-Ar2 trimer (τ+ = 7 ps) is attributed to the decrease in density of states due to the absence of the second Ar in the dimer. The similar time constants for both PhOH(+)-Rg dimers are well rationalized by a classical interpretation based on the comparable potential energy surfaces, reaction pathways, and density of states arising from their similar intermolecular vibrational frequencies.

  14. Using near-infrared spectroscopy to resolve the species, gender, age, and the presence of Wolbachia infection in laboratory-reared Drosophila

    USDA-ARS?s Scientific Manuscript database

    The aim of the study was to determine the accuracy of near-infrared spectroscopy (NIRS) in determining species, gender, age and the presence of the common endosymbiont Wolbachia in laboratory reared Drosophila. NIRS measures absorption of light by organic molecules. Initially, a calibration model wa...

  15. Polarization-modulation infrared reflection-absorption spectroscopy affording time-resolved simultaneous detection of surface and liquid phase species at catalytic solid-liquid interfaces.

    PubMed

    Meier, Daniel M; Urakawa, Atsushi; Baiker, Alfons

    2009-09-01

    Polarization-modulation infrared reflection-absorption spectroscopy (PM-IRRAS) combined with concentration modulation allows simultaneous monitoring of dynamic evolutions of surface and liquid phase species during reactions at catalytic interfaces as demonstrated for the Pt-catalysed oxidation of CO by O2 in cyclohexane.

  16. Infrared diode laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Civiš, S.; Cihelka, J.; Matulková, I.

    2010-12-01

    Three types of lasers (double-heterostructure 66 K InAsSb/InAsSbP laser diode, room temperature, multi quantum wells with distributed feedback (MQW with DFB) (GaInAsSb/AlGaAsSb based) diode laser and vertical cavity surface emitting lasers (VCSELs) (GaSb based) have been characterized using Fourier transform emission spectroscopy and compared. The photoacoustic technique was employed to determine the detection limit of formaldehyde (less than 1 ppmV) for the strongest absorption line of the v3 + v5 band in the emission region of the GaInAsSb/AlGaAsSb diode laser. The detection limit (less than 10 ppbV) of formaldehyde was achieved in the 2820 cm-1 spectral range in case of InAsSb/InAsSbP laser (fundamental bands of v1, v5). Laser sensitive detection (laser absorption together with high resolution Fourier transform infrared technique including direct laser linewidth measurement, infrared photoacoustic detection of neutral molecules (methane, form-aldehyde) is discussed. Additionally, very sensitive laser absorption techniques of such velocity modulation are discussed for case of laser application in laboratory research of molecular ions. Such sensitive techniques (originally developed for lasers) contributed very much in identifying laboratory microwave spectra of a series of anions (C6H-, C4H-, C2H-, CN-) and their discovery in the interstellar space (C6H-, C4H-).

  17. Infrared heterodyne spectroscopy in astronomy

    NASA Technical Reports Server (NTRS)

    Betz, A.

    1980-01-01

    A heterodyne spectrometer was constructed and applied to problems in infrared astronomical spectroscopy. The instrument offers distinct observational advantages for the detection and analysis of individual spectral lines at Doppler-limited resolution. Observations of carbon dioxide in planetary atmospheres and ammonia in circumstellar environments demonstrate the substantial role that infrared heterodyne techniques will play in the astronomical spectroscopy of the future.

  18. Infrared spectroscopy with visible light

    NASA Astrophysics Data System (ADS)

    Kalashnikov, Dmitry A.; Paterova, Anna V.; Kulik, Sergei P.; Krivitsky, Leonid A.

    2016-02-01

    Spectral measurements in the infrared optical range provide unique fingerprints of materials, which are useful for material analysis, environmental sensing and health diagnostics. Current infrared spectroscopy techniques require the use of optical equipment suited for operation in the infrared range, components of which face challenges of inferior performance and high cost. Here, we develop a technique that allows spectral measurements in the infrared range using visible-spectral-range components. The technique is based on nonlinear interference of infrared and visible photons, produced via spontaneous parametric down conversion. The intensity interference pattern for a visible photon depends on the phase of an infrared photon travelling through a medium. This allows the absorption coefficient and refractive index of the medium in the infrared range to be determined from the measurements of visible photons. The technique can substitute and/or complement conventional infrared spectroscopy and refractometry techniques, as it uses well-developed components for the visible range.

  19. Time-resolved nanosecond fluorescence lifetime imaging and picosecond infrared spectroscopy of combretastatin A-4 in solution and in cellular systems

    NASA Astrophysics Data System (ADS)

    Bisby, Roger H.; Botchway, Stanley W.; Greetham, Greg M.; Hadfield, John A.; McGown, Alan T.; Parker, Anthony W.; Scherer, Kathrin M.; Towrie, Mike

    2012-08-01

    Fluorescence lifetime images of intrinsic fluorescence obtained with two-photon excitation at 630 nm are shown following uptake of a series of E-combretastatins into live cells, including human umbilical vein endothelial cells (HUVECs) that are the target for the anticancer activity of combretastatins. Images show distribution of the compounds within the cell cytoplasm and in structures identified as lipid droplets by comparison with images obtained following Nile red staining of the same cells. The intracellular fluorescent lifetimes are generally longer than in fluid solution as a consequence of the high viscosity of the cellular environment. Following incubation, the intracellular concentrations of a fluorinated derivative of E-combretastatin A-4 in HUVECs are between two and three orders of magnitude higher than the concentration in the surrounding medium. Evidence is presented to indicate that at moderate laser powers (up to 6 mW), it is possible to isomerize up to 25% of the combretastatin within the femtolitre focal volume of the femtosecond laser beam. This suggests that it may be possible to activate the E-combretastatin (with low cellular toxicity) to the Z-isomer with high anticancer drug activity using two-photon irradiation. The isomerization of Z- and E-combretastatins by 266 nm irradiation has been probed by ultrafast time-resolved infrared spectroscopy. Results for the E-isomer show a rapid loss of excess vibrational energy in the excited state with a lifetime of 7 ps, followed by a slower process with a lifetime of 500 ps corresponding to the return to the ground state as also determined from the fluorescence lifetime. In contrast, the Z-isomer, whilst also appearing to undergo a rapid cooling of the initial excited state, has a much shorter overall excited state lifetime of 14 ps. DedicationThis paper is dedicated to the memory of Professor Christopher G Morgan (1949-2011). He was a valued colleague and friend at the University of Salford and made

  20. Infrared spectroscopy of comets

    NASA Technical Reports Server (NTRS)

    Disanti, Michael A.; Mumma, M. J.; Hoban, S. M.; Reuter, D.; Espenak, F.; Storrs, A. D.; Lacy, J.; Parmar, R.; Joyce, R.

    1990-01-01

    An observational search for cometary parent molecules using infrared spectroscopy was conducted in the 1 to 5 micron region. The investigation involved two different observing programs, one at moderate spectral resolution and one at fairly high resolution. The lower resolution was used to study cometary spectra in the vicinity of 3.5 micron at wavelength/change in wavelength is approximately or equal to 10(exp 3). Comets P/Brorsen-Metcalf (1989o), Okazaki-Levy-Rudenko (1989r), and Austin (1990c1) were observed with the Cryogenic Spectrometer (CRSP) at Kitt Peak. The detector incorporated an InSb array with 58 spatial elements, each 2.7 min on the sky, and 62 spectral channels per spatial element. An, as yet, unidentified feature was detected at approximately 3.52 micron in Comet Austin (on 1990 May 4, 5, and 6). The feature is possibly present in P/Brorsen-Metcalf (observed on 1989 August 23 and 25), as well. Comet Okazaki-Levy-Rudenko exhibited continuum emission only in this spectral region at the time of the observations (1989 November 14 and 16). The data are presented, and the relationship between the 3.52 micron feature and cometary activity (e.g., water production rate, visibility of the 3.4 micron emission feature) are discussed. The high resolution program probed comet Austin in the 4.8 micron region. These observations were used to search for emission lines comprising the (1-0) vibration-rotation band of the ground electronic state of CO. Retrieval of the lines allows a probe of the population distribution of levels J' = 1 through 4 of the excited (v' = 1) vibrational state within the ground electronic state of CO. Knowledge of this distribution can be used to constrain the rotational temperature. Preliminary analysis suggests the P3 line was present UT May 16 at roughly the 5 sigma level. Results concerning the existence of other lines, and physical conditions inferred therefrom are discussed.

  1. Bondline Infrared Spectroscopy (BIS).

    DTIC Science & Technology

    1983-01-01

    properties can be derived based upon the infrared spectrum of the propellant . The second output from this program will be a prediction of mechanical ...of mechanical properties of the propellant based upon past aging experience. IR Data and Time"i. Infrared spectra of the propellant were taken at each...303 Propellant Data 150 Mechanical Properties and Time/Temperature 150 S IR Data iid’ nme 153 SIR Dý.ta An4d.rveelian’ical

  2. Direct measurement of excited-state intervalence transfer in [(tpy)Ru(III)(tppz(*-))Ru(II)(tpy)](4+) by time-resolved near-infrared spectroscopy.

    PubMed

    Dattelbaum, Dana M; Hartshorn, Chris M; Meyer, Thomas J

    2002-05-08

    Extension of time-resolved infrared (TRIR) measurements into the near-infrared region has allowed the first direct measurement of a mixed-valence band in the metal-to-ligand charge transfer (MLCT) excited state of a symmetrical ligand-bridged complex. Visible laser flash excitation of [(tpy)Ru(tppz)Ru(tpy)]4+ (tppz is 2,3,5,6-tetrakis(2-pyridyl)pyrazine; tpy is 2,2':6',6' '-terpyridine) produces the mixed-valence, MLCT excited state [(tpy)RuIII(tppz*-)RuII(tpy)]4+* with the excited electron localized on the bridging tppz ligand. A mixed-valence band appears at numax = 6300 cm-1 with a bandwidth-at-half- maximum, Deltanu1/2 = 1070 cm-1. In the analogous ground-state complex, [(tpy)Ru(tppz)Ru(tpy)]5+, a mixed-valence band appears at numax = 6550 cm-1 with Deltanu1/2 = 970 cm-1 which allows a comparison to be made of electronic coupling across tppz0 and tppz*- as bridging ligands.

  3. Time-resolved surface infrared spectroscopy during atomic layer deposition of TiO{sub 2} using tetrakis(dimethylamido)titanium and water

    SciTech Connect

    Sperling, Brent A. Hoang, John; Kimes, William A.; Maslar, James E.; Steffens, Kristen L.; Nguyen, Nhan V.

    2014-05-15

    Atomic layer deposition of titanium dioxide using tetrakis(dimethylamido)titanium (TDMAT) and water vapor is studied by reflection-absorption infrared spectroscopy (RAIRS) with a time resolution of 120 ms. At 190 °C and 240 °C, a decrease in the absorption from adsorbed TDMAT is observed without any evidence of an adsorbed product. Ex situ measurements indicate that this behavior is not associated with an increase in the impurity concentration or a dramatic change in the growth rate. A desorbing decomposition product is consistent with these observations. RAIRS also indicates that dehydroxylation of the growth surface occurs only among one type of surface hydroxyl groups. Molecular water is observed to remain on the surface and participates in reactions even at a relatively high temperature (110 °C) and with long purge times (30 s)

  4. Time-resolved Fourier Transform Infrared Spectroscopy of the Nucleotide-binding Domain from the ATP-binding Cassette Transporter MsbA

    PubMed Central

    Syberg, Falk; Suveyzdis, Yan; Kötting, Carsten; Gerwert, Klaus; Hofmann, Eckhard

    2012-01-01

    MsbA is an essential Escherichia coli ATP-binding cassette (ABC) transporter involved in the flipping of lipid A across the cytoplasmic membrane. It is a close homologue of human P-glycoprotein involved in multidrug resistance, and it similarly accepts a variety of small hydrophobic xenobiotics as transport substrates. X-ray structures of three full-length ABC multidrug exporters (including MsbA) have been published recently and reveal large conformational changes during the transport cycle. However, how ATP hydrolysis couples to these conformational changes and finally the transport is still an open question. We employed time-resolved FTIR spectroscopy, a powerful method to elucidate molecular reaction mechanisms of soluble and membrane proteins, to address this question with high spatiotemporal resolution. Here, we monitored the hydrolysis reaction in the nucleotide-binding domain of MsbA at the atomic level. The isolated MsbA nucleotide-binding domain hydrolyzed ATP with Vmax = 45 nmol mg−1 min−1, similar to the full-length transporter. A Hill coefficient of 1.49 demonstrates positive cooperativity between the two catalytic sites formed upon dimerization. Global fit analysis of time-resolved FTIR data revealed two apparent rate constants of ∼1 and 0.01 s−1, which were assigned to formation of the catalytic site and hydrolysis, respectively. Using isotopically labeled ATP, we identified specific marker bands for protein-bound ATP (1245 cm−1), ADP (1101 and 1205 cm−1), and free phosphate (1078 cm−1). Cleavage of the β-phosphate–γ-phosphate bond was found to be the rate-limiting step; no protein-bound phosphate intermediate was resolved. PMID:22593573

  5. In situ determination of transient pKa changes of internal amino acids of bacteriorhodopsin by using time-resolved attenuated total reflection Fourier-transform infrared spectroscopy.

    PubMed

    Zscherp, C; Schlesinger, R; Tittor, J; Oesterhelt, D; Heberle, J

    1999-05-11

    Active proton transfer through membrane proteins is accomplished by shifts in the acidity of internal amino acids, prosthetic groups, and water molecules. The recently introduced step-scan attenuated total reflection Fourier-transform infrared (ATR/FT-IR) spectroscopy was employed to determine transient pKa changes of single amino acid side chains of the proton pump bacteriorhodopsin. The high pKa of D96 (>12 in the ground state) drops to 7.1 +/- 0.2 (in 1 M KCl) during the lifetime of the N intermediate, quantitating the role of D96 as the internal proton donor of the retinal Schiff base. We conclude from experiments on the pH dependence of the proton release reaction and on point mutants where each of the glutamates on the extracellular surface has been exchanged that besides D85 no other carboxylic group changes its protonation state during proton release. However, E194 and E204 interact with D85, the primary proton acceptor of the Schiff base proton. The C==O stretching vibration of D85 undergoes a characteristic pH-dependent shift in frequency during the M state of wild-type bacteriorhodopsin with a pKa of 5.2 (+/-0.3) which is abolished in the single-site mutants E194Q and E204Q and the quadruple mutant E9Q/E74Q/E194Q/E204Q. The double mutation E9Q/E74Q does not affect the lifetime of the intermediates, ruling out any participation of these residues in the proton transfer chain of bacteriorhodopsin. This study demonstrates that transient changes in acidity of single amino acid residues can be quantified in situ with infrared spectroscopy.

  6. Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy

    PubMed Central

    Lórenz-Fonfría, Víctor A.; Heberle, Joachim

    2014-01-01

    Monitoring the dynamics of protonation and protein backbone conformation changes during the function of a protein is an essential step towards understanding its mechanism. Protonation and conformational changes affect the vibration pattern of amino acid side chains and of the peptide bond, respectively, both of which can be probed by infrared (IR) difference spectroscopy. For proteins whose function can be repetitively and reproducibly triggered by light, it is possible to obtain infrared difference spectra with (sub)microsecond resolution over a broad spectral range using the step-scan Fourier transform infrared technique. With ~102-103 repetitions of the photoreaction, the minimum number to complete a scan at reasonable spectral resolution and bandwidth, the noise level in the absorption difference spectra can be as low as ~10-4, sufficient to follow the kinetics of protonation changes from a single amino acid. Lower noise levels can be accomplished by more data averaging and/or mathematical processing. The amount of protein required for optimal results is between 5-100 µg, depending on the sampling technique used. Regarding additional requirements, the protein needs to be first concentrated in a low ionic strength buffer and then dried to form a film. The protein film is hydrated prior to the experiment, either with little droplets of water or under controlled atmospheric humidity. The attained hydration level (g of water / g of protein) is gauged from an IR absorption spectrum. To showcase the technique, we studied the photocycle of the light-driven proton-pump bacteriorhodopsin in its native purple membrane environment, and of the light-gated ion channel channelrhodopsin-2 solubilized in detergent. PMID:24998200

  7. Infrared spectroscopy of stars

    NASA Technical Reports Server (NTRS)

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

    1979-01-01

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

  8. Infrared Spectroscopy of Deuterated Compounds.

    ERIC Educational Resources Information Center

    MacCarthy, Patrick

    1985-01-01

    Background information, procedures used, and typical results obtained are provided for an experiment (based on the potassium bromide pressed-pellet method) involving the infrared spectroscopy of deuterated compounds. Deuteration refers to deuterium-hydrogen exchange at active hydrogen sites in the molecule. (JN)

  9. A Quantitative Infrared Spectroscopy Experiment.

    ERIC Educational Resources Information Center

    Krahling, Mark D.; Eliason, Robert

    1985-01-01

    Although infrared spectroscopy is used primarily for qualitative identifications, it is possible to use it as a quantitative tool as well. The use of a standard curve to determine percent methanol in a 2,2,2-trifluoroethanol sample is described. Background information, experimental procedures, and results obtained are provided. (JN)

  10. A Quantitative Infrared Spectroscopy Experiment.

    ERIC Educational Resources Information Center

    Krahling, Mark D.; Eliason, Robert

    1985-01-01

    Although infrared spectroscopy is used primarily for qualitative identifications, it is possible to use it as a quantitative tool as well. The use of a standard curve to determine percent methanol in a 2,2,2-trifluoroethanol sample is described. Background information, experimental procedures, and results obtained are provided. (JN)

  11. Infrared Spectroscopy of Deuterated Compounds.

    ERIC Educational Resources Information Center

    MacCarthy, Patrick

    1985-01-01

    Background information, procedures used, and typical results obtained are provided for an experiment (based on the potassium bromide pressed-pellet method) involving the infrared spectroscopy of deuterated compounds. Deuteration refers to deuterium-hydrogen exchange at active hydrogen sites in the molecule. (JN)

  12. Charge Photoinjection in Intercalated and Covalently Bound [Re(CO)3(dppz)(py)]+-DNA Constructs Monitored by Time Resolved Visible and Infrared Spectroscopy

    PubMed Central

    Olmon, Eric D.; Sontz, Pamela A.; Blanco-Rodríguez, Ana María; Towrie, Michael; Clark, Ian P.; Vlček, Antonín; Barton, Jacqueline K.

    2011-01-01

    The complex [Re(CO)3(dppz)(py′-OR)]+ (dppz = dipyrido[3,2-a:2′,3′-c]phenazine; py′-OR = 4-functionalized pyridine) offers IR sensitivity and can oxidize DNA directly from the excited state, making it a promising probe for the study of DNA-mediated charge transport (CT). The behavior of several covalent and noncovalent Re-DNA constructs was monitored by time-resolved IR (TRIR) and UV/visible spectroscopies, as well as biochemical methods, confirming the long-range oxidation of DNA by the excited complex. Optical excitation of the complex leads to population of MLCT and at least two distinct intraligand states. Experimental observations that are consistent with charge injection from these excited states include similarity between long-time TRIR spectra and the reduced state spectrum observed by spectroelectrochemistry, the appearance of a guanine radical signal in TRIR spectra, and the eventual formation of permanent guanine oxidation products. The majority of reactivity occurs on the ultrafast timescale, although processes dependent on slower conformational motions of DNA, such as the accumulation of oxidative damage at guanine, are also observed. The ability to measure events on such disparate timescales, its superior selectivity in comparison to other spectroscopic techniques, and the ability to simultaneously monitor carbonyl ligand and DNA IR absorption bands makes TRIR a valuable tool for the study of CT in DNA. PMID:21827149

  13. Cerebral oxygen saturation evaluated by near-infrared time-resolved spectroscopy (TRS) in pregnant women during caesarean section - a promising new method of maternal monitoring.

    PubMed

    Yamazaki, Kaori; Suzuki, Kazunao; Itoh, Hiroaki; Muramatsu, Keiko; Nagahashi, Kotomi; Tamura, Naoaki; Uchida, Toshiyuki; Sugihara, Kazuhiro; Maeda, Hideki; Kanayama, Naohiro

    2013-03-01

    Time-resolved spectroscopy (TRS-20) measures tissue oxygen saturation (%) by evaluating the absolute concentrations of oxygenated, deoxygenated and total haemoglobin based on measurement of the transit time of individual photons through a tissue of interest. We measured tissue oxygen saturation in the prefrontal lobes of the brain by TRS-20 in eighteen pregnant women during caesarean section. In a case of placenta previa, massive bleeding immediately decreased cerebral oxygen saturation from 67·2% to 54·2%, but did not alter peripheral tissue oxygenation as measured by pulse oximetry. Four cases of pre-eclampsia revealed chronic changes in elevated base levels of cerebral oxygen saturation, though peripheral oxygen saturation was similar to that in normotensive pregnant women. Average cerebral oxygen saturation in the cases of pre-eclampsia before the introduction of anaesthesia was 73·6 ± 4·4 (SD)% (n = 4), significantly higher than in normotensive pregnant women, 67·2 ± 4·3% (n = 13, P<0·05). Z-scores of cerebral oxygen saturation prior to anaesthesia positively correlated with those of systolic or diastolic blood pressure. TRS-20 could detect acute as well as chronic changes in brain oxygen saturation in response to pregnancy-associated complications.

  14. Using Near-Infrared Spectroscopy to Resolve the Species, Gender, Age, and the Presence of Wolbachia Infection in Laboratory-Reared Drosophila

    PubMed Central

    Aw, Wen C.; Dowell, Floyd E.; Ballard, J. William O.

    2012-01-01

    The aim of the study was to determine the accuracy of near-infrared spectroscopy (NIRS) in determining species, gender, age, and the presence of the common endosymbiont Wolbachia in laboratory-reared Drosophila. NIRS measures the absorption of light by organic molecules. Initially, a calibration model was developed for each study. An independent set with flies not involved in initial cross-validation was then used to validate the accuracy of each calibration model. Flies from the independent sets were correctly classified into Drosophila melanogaster and Drosophila simulans with 94% and 82% accuracy, respectively, whereas flies were successfully classified by gender with accuracy greater than 90%. In the age grading test, correlation plots of the actual and predicted age for males and females of D. melanogaster and D. simulans were shown to be overlapping between the adjacent age groups. It is, however, possible to predict the age of flies as less than 9 days of age with 62–88% accuracy and flies that are equal to or older than 9 days of age with 91–98% accuracy. Finally, we used NIRS to detect the presence of Wolbachia in flies. Flies from the independent sets were successfully identified as infected or not infected with Wolbachia with approximately 90% accuracy. These results suggest that NIRS has the potential to quantify the species, gender, and presence of Wolbachia in fly populations. However, additional optimization of the protocol may be necessary before the technique can reliably estimate fly age. PMID:22973543

  15. Mechanistic study of electrocatalytic oxidation of formic acid at platinum in acidic solution by time-resolved surface-enhanced infrared absorption spectroscopy.

    PubMed

    Samjeské, Gabor; Miki, Atsushi; Ye, Shen; Osawa, Masatoshi

    2006-08-24

    Surface-enhanced infrared absorption spectroscopy (SEIRAS) combined with cyclic voltammetry or chronoamperometry has been utilized to examine kinetic and mechanistic aspects of the electrocatalytic oxidation of formic acid on a polycrystalline Pt surface at the molecular scale. Formate is adsorbed on the electrode in a bridge configuration in parallel to the adsorption of linear and bridge CO produced by dehydration of formic acid. A solution-exchange experiment using isotope-labeled formic acids (H(12)COOH and H(13)COOH) reveals that formic acid is oxidized to CO(2) via adsorbed formate and the decomposition (oxidation) of formate to CO(2) is the rate-determining step of the reaction. The adsorption/oxidation of CO and the oxidation/reduction of the electrode surface strongly affect the formic acid oxidation by blocking active sites for formate adsorption and also by retarding the decomposition of adsorbed formate. The interplay of the involved processes also affects the kinetics and complicates the cyclic voltammograms of formic acid oxidation. The complex voltammetric behavior is comprehensively explained at the molecular scale by taking all these effects into account.

  16. In vivo swine myocardial tissue characterization and monitoring during open chest surgery by time-resolved diffuse near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Spinelli, Lorenzo; Contini, Davide; Farina, Andrea; Torricelli, Alessandro; Pifferi, Antonio; Cubeddu, Rinaldo; Ascari, Luca; Potì, Luca; Trivella, Maria Giovanna; L'Abbate, Antonio; Puzzuoli, Stefano

    2011-03-01

    Cardiovascular diseases are the main cause of death in industrialized countries. Worldwide, a large number of patients suffering from cardiac diseases are treated by surgery. Despite the advances achieved in the last decades with myocardial protection, surgical failure can still occur. This is due at least in part to the imperfect control of the metabolic status of the heart in the various phases of surgical intervention. At present, this is indirectly controlled by the electrocardiogram and the echographic monitoring of cardiac mechanics as direct measurements are lacking. Diffuse optical technologies have recently emerged as promising tools for the characterization of biological tissues like breast, muscles and bone, and for the monitoring of important metabolic parameters such as blood oxygenation, volume and flow. As a matter of fact, their utility has been demonstrated in a variety of applications for functional imaging of the brain, optical mammography and monitoring of muscle metabolism. However, due to technological and practical difficulties, their potential for cardiac monitoring has not yet been exploited. In this work we show the feasibility of the in-vivo determination of absorption and scattering spectra of the cardiac muscle in the 600-1100 nm range, and of monitoring myocardial tissue hemodynamics by time domain near-infrared spectroscopy at 690 nm and 830 nm. Both measurements have been performed on the exposed beating heart during open chest surgery in pigs, an experimental model closely mimicking the clinical cardio-surgical setting.

  17. Infrared spectroscopy of aerosols

    NASA Astrophysics Data System (ADS)

    Mentel, Th.; Sebald, H.

    2003-04-01

    In our large Aerosol Chamber at the FZ Jülich we apply HR FTIR absorption spectroscopy for the determination of trace gases. In the FTIR spectra we also observe broad absorptions of several 10 to a few 100 cm-1 widths that arise from species in the condensed aerosol phase: liquid H_2O, NO_3^-, SO_42-, HSO_4^-, or dicarboxylic acids. Moreover, the aerosol droplets caused extinctions over several 1000 cm-1 by IR scattering. This allows for in-situ observation of changes in the condensed aerosol phase e.g. on HNO_3 uptake, like the shift of the sulfate/bisulfate equilibrium or the growth by water condensation. The IR absorptions of the condensed aerosol phase provide useful extra information in process studies, if they can be quantified. Therefore the absorption cross section, respective, the absorption index which is the imaginary part of the complex refractive index is needed. We set up an aerosol flow tube in which IR spectroscopy on a 8 m light path and aerosol size distribution measurements in the range from 20 nm - 10 μm can be performed simultaneously. We measured sulfate aerosols at several relative humidities (dry, metastable, deliquescent). We will demonstrate an iterative procedure based on Mie calculations and Kramers Kronig transformation to retrieve the absorption index from the observed IR spectra and the corresponding size distribution (for dry ammonium sulfate). We will compare resulting absorption indices for aqueous sodium bisulfate aerosols at several relative humidties with thermodynamic model calculations for the Na^+/H^+/HSO_4^-/SO_42-/H_2O system.

  18. Reaction Dynamics of O(1D,3P) + OCS Studied with Time-Resolved Fourier Transform Infrared Spectroscopy and Quantum Chemical Calculations

    NASA Astrophysics Data System (ADS)

    Chiang, Hung-Chu; Wang, Niann-Shiah; Tsuchiya, Soji; Chen, Hsin-Tsung; Lee, Yuan-Pern; Lin, M. C.

    2009-07-01

    Time-resolved infrared emission of CO2 and OCS was observed in reactions O(3P) + OCS and O(1D) + OCS with a step-scan Fourier transform spectrometer. The CO2 emission involves Δν3 = -1 transitions from highly vibrationally excited states, whereas emission of OCS is mainly from the transition (0, 0°, 1) → (0, 0°, 0); the latter derives its energy via near-resonant V-V energy transfer from highly excited CO2. Rotationally resolved emission lines of CO (v ≤ 4 and J ≤ 30) were also observed in the reaction O(1D) + OCS. For O(3P) + OCS, weak emission of CO2 diminishes when Ar is added, indicating that O(3P) is translationally hot to overcome the barrier for CO2 formation. The band contour of CO2 agrees with a band shape simulated on the basis of a Dunham expansion model of CO2; the average vibrational energy of CO2 in this channel is 49% of the available energy. This vibrational distribution fits with that estimated through a statistical partitioning of energy E* ≅ 18 000 ± 500 cm-1 into all vibrational modes of CO2. For the reaction of O(1D) + OCS, approximately 51% of the available energy is converted into vibrational energy of CO2, and a statistical prediction using E* ≅ 30 000 ± 500 cm-1 best fits the data. The mechanisms of these reactions are also investigated with the CCSD(T)/6-311+G(3df)//B3LYP/6-311+G(3df) method. The results indicate that the triplet O(3P) + OCS(X1Σ+) surface proceeds via direct abstraction and substitution channels with barriers of 27.6 and 36.4 kJ mol-1, respectively, to produce SO(X3Σ-) + CO(X1Σ+) and S(3P) + CO2(X1A1), whereas two intermediates, OSCO and SC(O)O, are formed from the singlet O(1D) + OCS(X1Σ+) surface without barrier, followed by decomposition to SO(a1Δ) + CO(X1Σ+) and S(1D) + CO2(X1A1), respectively. For the ground-state reaction O(3P) + OCS(X1Σ+), the singlet-triplet curve crossings play important roles in the observed kinetics and chemiluminescence.

  19. Conformation-Specific and Mass-Resolved Infrared-Population Transfer Spectroscopy of the Model γ^{2}-PEPTIDE Ac-γ^{2}-hPhe-NHMe: Evidence for the Presence of Intramolecular Amide-Amide Stacking Interactions.

    NASA Astrophysics Data System (ADS)

    James, William H. James, III; Buchanan, Evan G.; Müller, Christian W.; Zwier, Timothy S.; Nix, Michael G. D.; Guo, Li; Gellman, Samuel H.

    2009-06-01

    Recently, double resonance spectroscopy has been utilized to elucidate the conformational preferences of natural peptide mimetics. These studies demonstrated the power of double resonance methods and highlighted the ability of even short peptide mimetics to form a variety of intramolecular hydrogen bonded architectures. Currently, we have undertaken a detailed study of a model γ^{2}-peptide using double resonance spectroscopy. Conformation-specific IR spectra in the amide NH and amide I stretch spectral regions of Ac-γ^{2}-hPhe-NHMe provide evidence for three unique conformational isomers in a jet-cooled environment. The results of DFT and MP2 calculations will be presented as a basis for assignment of the experimentally resolved conformers. Two conformers form nine atom, intramolecular hydrogen bonded rings, which differ by the position of the aromatic ring relative to the peptide backbone. The third conformer does not contain intramolecular hydrogen bonding, but forms an intramolecular, amide-amide stacking structural motif, which when analyzed with the quantum theory of Atoms In Molecules is shown to contain an interaction between the carbon atom of the acetylated N-terminal amide and the nitrogen atom of the methylated C-terminal amide. In an effort to quantitatively assess the competition between hydrogen bonded and amide-amide stacked conformers, mass-resolved, infrared-population transfer spectroscopy was developed, where the IR and molecular beams are counter-propagated allowing for a re-cooling step prior to detection via resonant two-photon ionization spectroscopy. Using this method the fractional abundances of each conformer were experimentally determined. W. Chin, F. Piuzzi, I. Dimicoli, and M. Mons, PCCP, 2006, 8, 1033. E. E. Baquero, W. H. James III, S. H. Choi, S. H. Gellman, and T. S. Zwier, J. Am. Chem. Soc., 2008, 130, 4784.

  20. Photochemistry of (η6-anisole)Cr(CO)3 and (η6-thioanisole)Cr(CO)3: evidence for a photoinduced haptotropic shift of the thioanisole ligand, a picosecond time-resolved infrared spectroscopy and density functional theory investigation.

    PubMed

    Clark, Ian P; George, Michael W; Greetham, Gregory M; Harvey, Emma C; Long, Conor; Manton, Jennifer C; McArdle, Hazel; Pryce, Mary T

    2012-01-26

    The photochemistry of (η(6)-anisole)Cr(CO)(3) and (η(6)-thioanisole)Cr(CO)(3) was investigated by picosecond time-resolved infrared spectroscopy in n-heptane solution at 298 K. Two independent excited states are populated following 400 nm excitation of each of these complexes. An excited state with some metal-to-CO charge-transfer character is responsible for the CO-loss process, which is slow compared to CO-loss from Cr(CO)(6). Observed first order rate constants of 1.8 × 10(10) s(-1) and 2.5 × 10(10) s(-1) were obtained for the anisole and thioanisole complexes, respectively. The second excited state has metal-to-arene charge transfer character and results in a haptotropic shift of the thioanisole ligand. DFT calculations characterized the excited states involved and the nature of the haptotropic shift intermediate observed for the thioanisole species.

  1. Time-resolved Fourier-transform infrared emission spectroscopy of Ag in the (1300-3600)-cm{sup -1} region: Transitions involving f and g states and oscillator strengths

    SciTech Connect

    Civis, S.; Matulkova, I.; Cihelka, J.; Kubelik, P.; Kawaguchi, K.; Chernov, V. E.

    2010-08-15

    We report on a study of the emission spectra of Ag vapor in a vacuum (10{sup -2} Torr) formed in ablation of an Ag metal target by a high-repetition rate (1.0 kHz) pulsed nanosecond ArF laser ({lambda}=193 nm, output energy of 15 mJ). The time-resolved infrared emission spectrum of Ag was recorded in the 1300- to 3600-cm{sup -1} spectral region using the Fourier transform infrared spectroscopy technique with a resolution of 0.02 cm{sup -1}. The time profiles of the measured lines have maxima at 5-6 {mu}s after a laser shot and display nonexponential decay with a decay time of 3-7 {mu}s. The lines reported here are given with an uncertainty of 0.0005-0.016 cm{sup -1}. The line classification is performed using relative line strengths expressed in terms of transition dipole matrix elements calculated with the help of the Fues model potential; these calculations show agreement with the large experimental and calculated data sets available in the literature. In addition to these data we also calculate transition probabilities and line and oscillator strengths for a number of transitions in the 1300- to 5000-cm{sup -1} range between (4d{sup 10})nl{sub j} states of Ag.

  2. Time-resolved infrared diode laser spectroscopy of the ν3 band of the jet-cooled Fe(CO)2 radical produced by ultraviolet photolysis of Fe(CO)5

    NASA Astrophysics Data System (ADS)

    Tanaka, Keiichi; Tachikawa, Yasuhisa; Sakaguchi, Kouichi; Hikida, Toshihide; Tanaka, Takehiko

    1999-09-01

    The infrared spectrum of the iron dicarbonyl radical Fe(CO)2 produced in a supersonic jet expansion by the excimer laser photolysis of iron pentacarbonyl Fe(CO)5 was observed by time-resolved infrared diode laser spectroscopy. About 170 transitions, each split into one or two fine structure components, were assigned to the ν3 (CO antisymmetric stretch) band of Fe(CO)2. The assignment was greatly facilitated by spectral simplification caused by rotational as well as vibrational cooling in the supersonic jet. It was observed that lines are missing at alternate J quantum numbers in each spin component, which confirmed that Fe(CO)2 is a linear molecule with D∞h symmetry and that the electronic ground state is of 3Σg- symmetry. The rotational and centrifugal distortion constants in the ground state were determined to be B0=1414.675(46) MHz and D0=0.3077(74) kHz, respectively. The spin-spin interaction constants obtained, λ0=655.3(42) GHz, is comparable with that of the FeCO radical, λ0=684.470(51) GHz. The ν3 band origin was determined to be 1928.184335 (82) cm-1. The figures in parentheses are uncertainties (1σ) in units of the last digit.

  3. Mid infrared emission spectroscopy of carbon plasma.

    PubMed

    Nemes, Laszlo; Brown, Ei Ei; S-C Yang, Clayton; Hommerich, Uwe

    2017-01-05

    Mid infrared time-resolved emission spectra were recorded from laser-induced carbon plasma. These spectra constitute the first study of carbon materials LIB spectroscopy in the mid infrared range. The carbon plasma was induced using a Q-switched Nd: YAG laser. The laser beam was focused to high purity graphite pellets mounted on a translation stage. Mid infrared emission from the plasma in an atmospheric pressure background gas was detected by a cooled HgCdTe detector in the range 4.4-11.6μm, using long-pass filters. LIB spectra were taken in argon, helium and also in air. Despite a gate delay of 10μs was used there were strong backgrounds in the spectra. Superimposed on this background broad and noisy emission bands were observed, the form and position of which depended somewhat on the ambient gas. The spectra were digitally smoothed and background corrected. In argon, for instance, strong bands were observed around 4.8, 6.0 and 7.5μm. Using atomic spectral data by NIST it could be concluded that carbon, argon, helium and nitrogen lines from neutral and ionized atoms are very weak in this spectral region. The width of the infrared bands supports molecular origin. The infrared emission bands were thus compared to vibrational features of carbon molecules (excluding C2) of various sizes on the basis of previous carbon cluster infrared absorption and emission spectroscopic analyses in the literature and quantum chemical calculations. Some general considerations are given about the present results.

  4. Mid infrared emission spectroscopy of carbon plasma

    NASA Astrophysics Data System (ADS)

    Nemes, Laszlo; Brown, Ei Ei; Yang, Clayton S.-C.; Hommerich, Uwe

    2017-01-01

    Mid infrared time-resolved emission spectra were recorded from laser-induced carbon plasma. These spectra constitute the first study of carbon materials LIB spectroscopy in the mid infrared range. The carbon plasma was induced using a Q-switched Nd: YAG laser. The laser beam was focused to high purity graphite pellets mounted on a translation stage. Mid infrared emission from the plasma in an atmospheric pressure background gas was detected by a cooled HgCdTe detector in the range 4.4-11.6 μm, using long-pass filters. LIB spectra were taken in argon, helium and also in air. Despite a gate delay of 10 μs was used there were strong backgrounds in the spectra. Superimposed on this background broad and noisy emission bands were observed, the form and position of which depended somewhat on the ambient gas. The spectra were digitally smoothed and background corrected. In argon, for instance, strong bands were observed around 4.8, 6.0 and 7.5 μm. Using atomic spectral data by NIST it could be concluded that carbon, argon, helium and nitrogen lines from neutral and ionized atoms are very weak in this spectral region. The width of the infrared bands supports molecular origin. The infrared emission bands were thus compared to vibrational features of carbon molecules (excluding C2) of various sizes on the basis of previous carbon cluster infrared absorption and emission spectroscopic analyses in the literature and quantum chemical calculations. Some general considerations are given about the present results.

  5. Infrared spectroscopy of ionic clusters

    SciTech Connect

    Price, J.M. . Dept. of Chemistry Lawrence Berkeley Lab., CA )

    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.

  6. Time-Resolved Infrared (TRIR) Studies of Oxycarbonylnitrenes.

    PubMed

    Chavez, Tyler A; Liu, Yonglin; Toscano, John P

    2016-08-05

    N-Ethyloxycarbonyl-S,S-dibenzothiphene sulfilimine and N-t-butyloxycarbonyl-S,S-dibenzothiphene sulfilimine have been utilized as precursors to ethoxycarbonylnitrene and t-butyloxycarbonylnitrene. B3LYP/6-31G(d) calculations predict triplet ground states for both oxycarbonylnitrenes, albeit by small margins. Triplet ethoxycarbonylnitrene and triplet t-butyloxycarbonylnitrene have been observed following photolysis of these sulfilimine precursors by time-resolved infrared (TRIR) spectroscopy. Kinetic studies show that ethoxycarbonylnitrene reacts with solvents such as acetonitrile and cyclohexane, while t-butyloxycarbonylnitrene undergoes an intramolecular insertion reaction to produce 5,5-dimethyl oxazolidinone. Product analysis following photolysis of N-t-butyloxycarbonyl-S,S-dibenzothiphene sulfilimine confirms that the oxazolidinone is the major product with an estimated yield of 90%. The products from these two nitrenes are derived from the corresponding singlet nitrene, either directly or via thermal repopulation of the singlet from the lower-energy triplet nitrene.

  7. Resolving shocked and UV excited components of H2 emission in planetary nebulae with high-resolution near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Kaplan, Kyle; Dinerstein, Harriet L.; Jaffe, Daniel Thomas

    2016-06-01

    Planetary nebulae (PNe) form when low and intermediate-mass stars eject their outer layers into the ISM at the end of the AGB phase. Many PNe exhibit near-infrared (NIR) emission from molecular hydrogen (H2). This NIR emission arises from radiative decay out of excited rotation-vibration (rovibrational) states. The rovibrational states can be populated by excitation to higher electronic states through absorption of a far-UV photon followed by a radiative cascade to the electronic ground state, or by collisions (e.g., in a hot gas). The two processes populate the rovibrational levels of H2 differently, so the observed emergent emission spectrum provides an effective probe of the mechanisms that excite the H2. Many PNe display line intensity ratios that are intermediate between these two processes (Otsuka et al. 2013). With the advantages of the high spectral resolution (R~40000), broad wavelength coverage (1.45-2.45 μm), and high spatial resolution of the Immersion GRating Infrared Spectrometer (IGRINS, Park et al. 2014), we are able to differentiate components in position-velocity space: we see a slowly expanding UV-excited H2 shell in the PN M 1-11 and two faster moving “bullets” of thermalized H2 that we interpret as shocked gas from a bipolar outflow. We also present observations of several other PNe that exhibit similar morphologies of thermalized and UV-excited H2 components.

  8. Infrared spectroscopy of NGC 1068

    NASA Astrophysics Data System (ADS)

    Depoy, D. L.

    Spectroscopy of the nucleus of the nearby Seyfert 2 galaxy NGC 1068 has been obtained using the IRTF and the facility Cooled-Grating Array Spectrometer (CGAS). The wavelengths observed covered the expected wavelengths of the Bry (n = 7 4), Br (n = 5 4), and the Pf (n = 7 5) hydrogen recombination lines between 2.2 m and 4.6 m. The CGAS has a 32-element InSb array multiplexed by a Reticon and was used at a resolution of 250 km s-1, allowing accurate determination of the line profiles and surrounding continua simultaneously. For example, the S/N at each spectral position in the Br line spectrum was 100. The data show that the infrared lines are not more broadened than the optical hydrogen recombination lines, suggesting that the presence of an obscured Seyfert 1-like active nucleus is unlikely unless the visual extinction through any obscuring material present is larger than 100 mag.

  9. Infrared spectroscopy in biomedical diagnostics

    NASA Astrophysics Data System (ADS)

    Afanasyeva, Natalia I.; Kolyakov, Sergei F.; Letokhov, Vladilen S.; Artioushenko, Vjacheslav G.; Golovkina, Viktoriya N.

    1998-01-01

    Fiberoptic evanescent wave Fourier transform infrared (FEW- FTIR) spectroscopy using fiberoptic sensors operated in the attenuated total reflection (ATR) regime in the middle infrared (IR) region of the spectrum (850 - 1850 cm-1) has recently found application in the diagnostics of tissues. The method is suitable for noninvasive and rapid (seconds) direct measurements of the spectra of normal and pathological tissues in vitro, ex vivo and in vivo. The aim of our studies is the express testing of various tumor tissues at the early stages of their development. The method is expected to be further developed for endoscopic and biopsy applications. We measured in vivo the skin normal and malignant tissues on surface (directly on patients) in various cases of basaloma, melanoma and nevus. The experiments were performed in the operating room for measurements of skin in the depth (under/in the layers of epidermis), human breast, stomach, lung, kidney tissues. The breast and skin tissues at different stages of tumor or cancer were distinguished very clearly in spectra of amide, side cyclic and noncyclic hydrogen bonded fragments of amino acid residuals, phosphate groups and sugars. Computer monitoring is being developed for diagnostics.

  10. Ultrafast time-resolved vibrational spectroscopies of carotenoids in photosynthesis.

    PubMed

    Hashimoto, Hideki; Sugisaki, Mitsuru; Yoshizawa, Masayuki

    2015-01-01

    This review discusses the application of time-resolved vibrational spectroscopies to the studies of carotenoids in photosynthesis. The focus is on the ultrafast time regime and the study of photophysics and photochemistry of carotenoids by femtosecond time-resolved stimulated Raman and four-wave mixing spectroscopies. This article is part of a Special Issue entitled: Vibrational spectroscopies and bioenergetic systems.

  11. Diffusion-weighted J-resolved spectroscopy.

    PubMed

    Landheer, Karl; Schulte, Rolf; Geraghty, Ben; Hanstock, Christopher; Chen, Albert P; Cunningham, Charles H; Graham, Simon J

    2017-10-01

    To develop a novel diffusion-weighted magnetic resonance spectroscopy (DW-MRS) technique in conjunction with J-resolved spatially localized spectroscopy (JPRESS) to measure the apparent diffusion coefficients (ADCs) of brain metabolites beyond N-acetylaspartic acid (NAA), creatine (Cr), and choline (Cho) at 3T. This technique will be useful to probe tissue microstructures in vivo, as the various metabolites have different physiological characteristics. Two JPRESS spectra were collected (high b-value and low b-value), and the ADCs of 16 different metabolites were estimated. Two analysis pipelines were developed: 1) a 2D pipeline that uses ProFit software to extract ADCs from metabolites not typically accessible at 3T and 2) a 1D pipeline that uses TARQUIN software to extract the metabolite concentrations from each line in the 2D dataset, allowing for scaling as well as validation. The ADCs of 16 different metabolites were estimated from within six subjects in parietal white matter. There was excellent agreement between the results obtained from the 1D and 2D pipelines for NAA, Cr, and Cho. The proposed technique provided consistent estimates for the ADCs of NAA, Cr, Cho, glutamate + glutamine, and myo-inositol in all subjects and additionally glutathione and scyllo-inositol in all but one subject. Magn Reson Med 78:1235-1245, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

  12. Time-resolved infrared spectroscopic techniques as applied to channelrhodopsin

    PubMed Central

    Ritter, Eglof; Puskar, Ljiljana; Bartl, Franz J.; Aziz, Emad F.; Hegemann, Peter; Schade, Ulrich

    2015-01-01

    Among optogenetic tools, channelrhodopsins, the light gated ion channels of the plasma membrane from green algae, play the most important role. Properties like channel selectivity, timing parameters or color can be influenced by the exchange of selected amino acids. Although widely used, in the field of neurosciences for example, there is still little known about their photocycles and the mechanism of ion channel gating and conductance. One of the preferred methods for these studies is infrared spectroscopy since it allows observation of proteins and their function at a molecular level and in near-native environment. The absorption of a photon in channelrhodopsin leads to retinal isomerization within femtoseconds, the conductive states are reached in the microsecond time scale and the return into the fully dark-adapted state may take more than minutes. To be able to cover all these time regimes, a range of different spectroscopical approaches are necessary. This mini-review focuses on time-resolved applications of the infrared technique to study channelrhodopsins and other light triggered proteins. We will discuss the approaches with respect to their suitability to the investigation of channelrhodopsin and related proteins. PMID:26217670

  13. Development of ultrafast time-resolved dual-comb spectroscopy

    NASA Astrophysics Data System (ADS)

    Asahara, Akifumi; Minoshima, Kaoru

    2017-04-01

    Ultrafast time-resolved dual-comb spectroscopy (TR-DCS) has been demonstrated, which enables direct observations of transient responses of complex optical spectra by combining dual-comb spectroscopy with the pump-probe method. TR-DCS achieves two-dimensional spectroscopy with a wide dynamic range for both the temporal and frequency axes. As a demonstration, we investigated the femtosecond relaxation dynamics of a photo-excited InGaAs saturable absorber in the near-infrared frequency region. The transient response of the interferogram was successfully obtained, and both the amplitude and phase spectra of the dynamic complex transmittance were independently deduced without using the Kramers-Kronig relations. A high phase resolution in the order of milliradian was achieved by suppressing the effect from the slow phase drift caused in the experimental system. Our proof-of-principle experiment promotes a pathway to coherent, highly accurate, and multi-dimensional pump-probe spectroscopy using the optical frequency comb technology.

  14. Hemoglobin concentration determination based on near infrared spatially resolved transmission spectra

    NASA Astrophysics Data System (ADS)

    Zhang, Linna; Li, Gang; Lin, Ling

    2016-10-01

    Spatially resolved diffuse reflectance spectroscopy method has been proved to be more effective than single point spectroscopy method in the experiment to predict the concentration of the Intralipid diluted solutions. However, Intralipid diluted solution is simple, cannot be the representative of turbid liquids. Blood is a natural and meaningful turbid liquid, more complicate. Hemoglobin is the major constituent of the whole blood. And hemoglobin concentration is commonly used in clinical medicine to diagnose many diseases. In this paper, near infrared spatially resolved transmission spectra (NIRSRTS) and Partial Least Square Regression (PLSR) were used to predict the hemoglobin concentration of human blood. The results showed the prediction ability for hemoglobin concentration of the proposed method is better than single point transmission spectroscopy method. This paper demonstrated the feasibility of the spatially resolved diffuse reflectance spectroscopy method for practical liquid composition analysis. This research provided a new thinking of practical turbid liquid composition analysis.

  15. Angle-resolved spectroscopy: a tissue-mimicking phantom study

    NASA Astrophysics Data System (ADS)

    Zhang, Yan; Vasefi, Fartash; Chamson-Reig, Astrid; Najiminainia, Mohamadreza; Kaminska, Bozena; Carson, Jeffrey J. L.

    2012-03-01

    The Radial Angular Filter Array (RAFA) is a novel optical filter consisting of a radially-distributed series of micromachined channels with a focal length of a few millimeters. The RAFA filters photons passing through the focal point according to the propagation direction and has proven to be capable of collecting the angular distribution and the spectral information of photons simultaneously and non-invasively, which allows angle-resolved spectroscopic measurement of a turbid medium. To explore the feasibility of using this device to characterize the optical abnormalities in human tissues, we tested the performance of an angle-resolved RAFA-based spectroscopy system to detect absorption targets embedded within a tissue-mimicking phantom. The body of the phantom was made of 0.1% IntralipidTM/agarose gel (7 mm in thickness) and the targets were spherical (1.5 mm in radius) and contained 10 μM Indocyanine Green (ICG). The illumination source was a broadband near infrared (NIR) collimated beam. Photons were angularly filtered by the RAFA and spectrally resolved by a pushbroom spectrometer. The experimental results confirmed that the RAFA preferentially filtered photons that carried absorption and scattering information of the embedded targets.

  16. A time-resolved infrared vibrational spectroscopic study of the photo-dynamics of crystalline materials.

    PubMed

    Towrie, Mike; Parker, Anthony W; Ronayne, Kate L; Bowes, Katharine F; Cole, Jacqueline M; Raithby, Paul R; Warren, John E

    2009-01-01

    Time-resolved infrared vibrational spectroscopy is a structurally sensitive probe of the excited-state properties of matter. The technique has found many applications in the study of molecules in dilute solution phase but has rarely been applied to crystalline samples. We report on the use of a sensitive pump-probe time-resolved infrared spectrometer and sample handling techniques for studies of the ultrafast excited-state dynamics of crystalline materials. The charge transfer excited states of crystalline metal carbonyls and the proton transfer of dihydroxyquinones are presented and compared with the solution phase.

  17. Angle resolved photoemission spectroscopy and surface states

    NASA Astrophysics Data System (ADS)

    Kar, Nikhiles

    2016-10-01

    Angle Resolved Photo Emission Spectroscopy (ARPES) has been a very effective tool to study the electronic states of solids, from simple metals to complex systems like cuprate superconductors. For photon energy in the range of 10 - 100 eV, it is a surface sensitive process as the free path of the photo emitted electrons is of the order of a few lattice parameters. However to interpret the experimental data one needs to have a theoretical foundation for the photoemission process. From the theory of photoemission it may be seen that one can get information about the state from which the electron has been excited. As the translational periodicity is broken normal to the surface, a new type of electron state in the forbidden energy gap can exist localized in the surface region. ARPES can reveal the existence and the property of such surface states. We shall also discuss briefly how the electromagnetic field of the photons are influenced by the presence of the surface and how one can try to take that into account in photoemission theory.

  18. Fourier Transform Infrared Spectroscopy Part III. Applications.

    ERIC Educational Resources Information Center

    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)

  19. Fourier Transform Infrared Spectroscopy Part III. Applications.

    ERIC Educational Resources Information Center

    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. Enhanced visible and near-infrared capabilities of the JET mirror-linked divertor spectroscopy system

    SciTech Connect

    Lomanowski, B. A. Sharples, R. M.; Meigs, A. G.; Conway, N. J.; Zastrow, K.-D.; Heesterman, P.; Kinna, D. [EURATOM Collaboration: JET-EFDA Team

    2014-11-15

    The mirror-linked divertor spectroscopy diagnostic on JET has been upgraded with a new visible and near-infrared grating and filtered spectroscopy system. New capabilities include extended near-infrared coverage up to 1875 nm, capturing the hydrogen Paschen series, as well as a 2 kHz frame rate filtered imaging camera system for fast measurements of impurity (Be II) and deuterium Dα, Dβ, Dγ line emission in the outer divertor. The expanded system provides unique capabilities for studying spatially resolved divertor plasma dynamics at near-ELM resolved timescales as well as a test bed for feasibility assessment of near-infrared spectroscopy.

  1. Enhanced visible and near-infrared capabilities of the JET mirror-linked divertor spectroscopy systema)

    NASA Astrophysics Data System (ADS)

    Lomanowski, B. A.; Meigs, A. G.; Conway, N. J.; Zastrow, K.-D.; Sharples, R. M.; Heesterman, P.; Kinna, D.

    2014-11-01

    The mirror-linked divertor spectroscopy diagnostic on JET has been upgraded with a new visible and near-infrared grating and filtered spectroscopy system. New capabilities include extended near-infrared coverage up to 1875 nm, capturing the hydrogen Paschen series, as well as a 2 kHz frame rate filtered imaging camera system for fast measurements of impurity (Be II) and deuterium Dα, Dβ, Dγ line emission in the outer divertor. The expanded system provides unique capabilities for studying spatially resolved divertor plasma dynamics at near-ELM resolved timescales as well as a test bed for feasibility assessment of near-infrared spectroscopy.

  2. Thymine Dimer Formation probed by Time-Resolved Vibrational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Schreier, Wolfgang J.; Schrader, Tobias E.; Roller, Florian O.; Gilch, Peter; Zinth, Wolfgang; Kohler, Bern

    Cyclobutane pyrimidine dimers are the major photoproducts formed when DNA is exposed to UV light. Femtosecond time-resolved vibrational spectroscopy reveals that thymine dimers are formed in thymidine oligonucleotides in an ultrafast photoreaction.

  3. [Investigation of near infrared spectroscopy of rosewood].

    PubMed

    Yang, Zhong; Jiang, Ze-Hui; Lü, Bin

    2012-09-01

    Rosewood is a kind of precious wood which include many wood species. It's difficult to most people to identify rosewood species. Near infrared spectroscopy (NIR) of eight rosewood species was investigated in the present paper. The results showed that (1) there was significant correlation between near infrared spectroscopy and color parameters expressed by L*, a* and b* values of rosewood, the correlation coefficients between NIR predicted and laboratory measured L* , a* and b* values were 0.988, 0.991 and 0.993, respectively; (2) The eight rosewood samples can be distinctly divided into eight categories by principal component analysis (PCA), the differences in the NIR among the eight rosewood species were more distinctly revealed by the three-dimensional PCA score plot than that of the two-dimensional. The results illustrated that it was feasible to identify rosewood species by near infrared spectroscopy coupled with chemometrics, and also provided a new method to rapidly identify or classify rosewood.

  4. Infrared Spectroscopy of New Molecules and Clusters

    NASA Astrophysics Data System (ADS)

    Zhou, Mingfei

    2017-06-01

    Gas phase infrared photodissociation spectroscopy and matrix isolation infrared absorption spectroscopy have proven to be effective spectroscopic methods to investigate novel molecular and cluster species. Vibrational spectroscopy combined with state-of-the-art quantum chemical calculations provides detailed information on geometric and electronic structures as well as chemical bonding of the observed species. In this presentation, I will highlight our recent studies on the formation and infrared spectroscopic characterization of a number of neutral and charged metal-containing compounds including high oxidation state transition metal and lanthanide oxide species and metal carbonyl clusters featuring unprecedented metal-metal multiple bonds. These findings help to expand chemical understanding of the behavior of elements and their compounds.

  5. [Infrared spectroscopy based on quantum cascade lasers].

    PubMed

    Wen, Zhong-Quan; Chen, Gang; Peng, Chen; Yuan, Wei-Qing

    2013-04-01

    Quantum cascade lasers (QCLs) are promising infrared coherent sources. Thanks to the quantum theory and band-gap engineering, QCL can access the wavelength in the range from 3 to 100 microm. Since the fingerprint spectrum of most gases are located in the mid-infrared range, mid-infrared quantum cascade laser based gas sensing technique has become the research focus world wide because of its high power, narrow linewidth and fast scanning. Recent progress in the QCL technology leads to a great improvement in laser output power and efficiency, which stimulates a fast development in the infrared laser spectroscopy. The present paper gives a broad review on the QCL based spectroscopy techniques according to their working principles. A discussion on their applications in gas sensing and explosive detecting is also given at the end of the paper.

  6. Time-resolved inverse Raman spectroscopy.

    PubMed

    Rahn, L A

    1982-02-01

    A technique for obtaining sensitive, highly reproducible, time-resolved inverse Raman measurements is reported. Experimental results are presented for the nitrogen vibrational Q branch at a pressure of 10 atm. For these measurements the signal, normalized to the pump-laser energy, exhibits fluctuations of 1.4% (rms) about the average of 500 measurements; these deviations are within a factor of 2 of the quantum noise limit.

  7. Nanoscale Infrared Spectroscopy of Biopolymeric Materials

    Treesearch

    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...

  8. Flap monitoring using infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Keller, Alex; Wright, Leigh P.; Elmandjra, Mohamed; Mao, Jian-min

    2006-02-01

    We report results of clinical trials on flap monitoring in 65 plastic surgeries. Hemoglobin oxygen saturation of flap tissue (StO II) was monitored non-invasively by using ODISsey TM tissue oximeter, an infrared spectroscopic device. StO II measurements were conducted both intra-operatively and post-operatively. From the intra-operative measurements, we observed that StO II values dropped when the main blood vessels supplying the flap were clamped in surgery, and that StO II jumped after anastomosis to a value close to its pre-operative value. From post-operative monitoring measurements for the 65 flap cases, each lasted two days or so, we found that the StO II values approach to a level close to the baseline if the surgery was successful, and that the StO II value dropped to a value below 30% if there is a perfusion compromise, such as vascular thrombosis.

  9. Time-resolved orbital angular momentum spectroscopy

    SciTech Connect

    Noyan, Mehmet A.; Kikkawa, James M.

    2015-07-20

    We introduce pump-probe magneto-orbital spectroscopy, wherein Laguerre-Gauss optical pump pulses impart orbital angular momentum to the electronic states of a material and subsequent dynamics are studied with 100 fs time resolution. The excitation uses vortex modes that distribute angular momentum over a macroscopic area determined by the spot size, and the optical probe studies the chiral imbalance of vortex modes reflected off the sample. First observations in bulk GaAs yield transients that evolve on time scales distinctly different from population and spin relaxation, as expected, but with surprisingly large lifetimes.

  10. Rotationally resolved electronic spectroscopy of 5-methoxyindole.

    PubMed

    Brand, Christian; Oeltermann, Olivia; Pratt, David; Weinkauf, Rainer; Meerts, W Leo; van der Zande, Wim; Kleinermanns, Karl; Schmitt, Michael

    2010-07-14

    Rotationally resolved electronic spectra of the vibrationless origin and of eight vibronic bands of 5-methoxyindole (5MOI) have been measured and analyzed using an evolutionary strategy approach. The experimental results are compared to the results of ab initio calculations. All vibronic bands can be explained by absorption of a single conformer, which unambiguously has been shown to be the anti-conformer from its rotational constants and excitation energy. For both anti- and syn-conformers, a (1)L(a)/(1)L(b) gap larger than 4000 cm(-1) is calculated, making the vibronic coupling between both states very small, thereby explaining why the spectrum of 5MOI is very different from that of the parent molecule, indole.

  11. Infrared microcalorimetric spectroscopy using uncooled thermal detectors

    SciTech Connect

    Datskos, P.G. |; Rajic, S.; Datskou, I.; Egert, C.M.

    1997-10-01

    The authors have investigated a novel infrared microcalorimetric spectroscopy technique that can be used to detect the presence of trace amounts of target molecules. The chemical detection is accomplished by obtaining the infrared photothermal spectra of molecules absorbed on the surface of an uncooled thermal detector. Traditional gravimetric based chemical detectors (surface acoustic waves, quartz crystal microbalances) require highly selective coatings to achieve chemical specificity. In contrast, infrared microcalorimetric based detection requires only moderately specific coatings since the specificity is a consequence of the photothermal spectrum. They have obtained infrared photothermal spectra for trace concentrations of chemical analytes including diisopropyl methylphosphonate (DIMP), 2-mercaptoethanol and trinitrotoluene (TNT) over the wavelength region2.5 to 14.5 {micro}m. They found that in the wavelength region 2.5 to 14.5 {micro}m DIMP exhibits two strong photothermal peaks. The photothermal spectra of 2-mercaptoethanol and TNT exhibit a number of peaks in the wavelength region 2.5 to 14.5 {micro}m and the photothermal peaks for 2-mercaptoethanol are in excellent agreement with infrared absorption peaks present in its IR spectrum. The photothermal response of chemical detectors based on microcalorimetric spectroscopy has been found to vary reproducibly and sensitively as a consequence of adsorption of small number of molecules on a detector surface followed by photon irradiation and can be used for improved chemical characterization.

  12. Infrared Spectroscopy of Blood for Disease Identification

    NASA Astrophysics Data System (ADS)

    Pichardo, J. L.; Huerta-Franco, R.; Álvarez, R. R.; Bernal, J.; Gutiérrez-Juárez, G.; Palomares-Anda, P.

    2003-09-01

    Total reflectance attenuated infrared Fourier transform spectroscopy was used to analyze blood samples. Plasma and red blood cells were separated by centrifugation. The spectra were recorded from 200 to 4000 cm-1 under the same conditions for all samples. Samples of healthy donors were compared with those patients with different diseases (polycythemia and high blood pressure). Patients were under medical control at the time of the study. However, the preliminary results reveal that blood samples from healthy subjects had different infrared spectra compared to the non healthy patients.

  13. Spatially resolved spectroscopy using tapered stripline NMR

    NASA Astrophysics Data System (ADS)

    Tijssen, Koen C. H.; Bart, Jacob; Tiggelaar, Roald M.; Janssen, J. W. G. (Hans); Kentgens, Arno P. M.; van Bentum, P. Jan M.

    2016-02-01

    Magnetic field B0 gradients are essential in modern Nuclear Magnetic Resonance spectroscopy and imaging. Although RF/B1 gradients can be used to fulfill a similar role, this is not used in common practice because of practical limitations in the design of B1 gradient coils. Here we present a new method to create B1 gradients using stripline RF coils. The conductor-width of a stripline NMR chip and the strength of its radiofrequency field are correlated, so a stripline chip can be tapered to produce any arbitrary shaped B1 field gradient. Here we show the characterization of this tapered stripline configuration and demonstrate three applications: magnetic resonance imaging on samples with nL-μL volumes, reaction monitoring of fast chemical reactions (10-2-101 s) and the compensation of B0 field gradients to obtain high-resolution spectra in inhomogeneous magnetic fields.

  14. Seventh international conference on time-resolved vibrational spectroscopy

    SciTech Connect

    Dyer, R.B.; Martinez, M.A.D.; Shreve, A.; Woodruff, W.H.

    1997-04-01

    The International Conference on Time-Resolved Vibrational Spectroscopy (TRVS) is widely recognized as the major international forum for the discussion of advances in this rapidly growing field. The 1995 conference was the seventh in a series that began at Lake Placid, New York, 1982. Santa Fe, New Mexico, was the site of the Seventh International Conference on Time-Resolved Vibrational Spectroscopy, held from June 11 to 16, 1995. TRVS-7 was attended by 157 participants from 16 countries and 85 institutions, and research ranging across the full breadth of the field of time-resolved vibrational spectroscopy was presented. Advances in both experimental capabilities for time-resolved vibrational measurements and in theoretical descriptions of time-resolved vibrational methods continue to occur, and several sessions of the conference were devoted to discussion of these advances and the associated new directions in TRVS. Continuing the interdisciplinary tradition of the TRVS meetings, applications of time-resolved vibrational methods to problems in physics, biology, materials science, and chemistry comprised a large portion of the papers presented at the conference.

  15. Time Resolved Spectroscopy of Eclipsing Polars

    NASA Technical Reports Server (NTRS)

    Barrett, Paul

    2005-01-01

    No changes have been made since the last annual progress report was submitted in conjunction with a unilateral NCX. Dr. Barrett was affected by an STScI Reduction in Force (RIF). He is now employed by the Johns Hopkins University and plans to continue his research there. No expenses have been charged to this grant, however the FUSE data for the eclipsing polar V1432 Aql has been received and processed using CALFWSE v3.0.6. The resulting summed spectrum has been used for a preliminary analysis of the interstellar absorption towards V1432 Aql. We find a hydrogen column density of less than 1.5e21 cm^-2. We have used this result in the paper "X-Ray Emission and Optical Polarization of V1432 Aquilae: An Asynchronous Polar" to fix the hydrogen column density in the soft (<0.5 keV) X-ray band when analyzing the XMM-Newton spectra of this polar. This has enabled us to find an accurate temperature for the blackbody component of 88+/-2 eV, which is significantly higher than that of other polars (20 - 40 eV). We hope to complete our analysis of the phase-resolved emission line spectra of V1432 Aql and to prepare the results for publication in a refereed journal. We hope to begin work on this star within the next few months.

  16. Time Resolved Spectroscopy of Eclipsing Polars

    NASA Astrophysics Data System (ADS)

    Barrett, Paul

    2005-09-01

    No changes have been made since the last annual progress report was submitted in conjunction with a unilateral NCX. Dr. Barrett was affected by an STScI Reduction in Force (RIF). He is now employed by the Johns Hopkins University and plans to continue his research there. No expenses have been charged to this grant, however the FUSE data for the eclipsing polar V1432 Aql has been received and processed using CALFWSE v3.0.6. The resulting summed spectrum has been used for a preliminary analysis of the interstellar absorption towards V1432 Aql. We find a hydrogen column density of less than 1.5e21 cm^-2. We have used this result in the paper "X-Ray Emission and Optical Polarization of V1432 Aquilae: An Asynchronous Polar" to fix the hydrogen column density in the soft (<0.5 keV) X-ray band when analyzing the XMM-Newton spectra of this polar. This has enabled us to find an accurate temperature for the blackbody component of 88+/-2 eV, which is significantly higher than that of other polars (20 - 40 eV). We hope to complete our analysis of the phase-resolved emission line spectra of V1432 Aql and to prepare the results for publication in a refereed journal. We hope to begin work on this star within the next few months.

  17. Time-resolved spectroscopy and imaging

    NASA Astrophysics Data System (ADS)

    Chance, Britton

    1995-05-01

    In response to the conference organizer's request, I am presenting a summary of the current status of medical optical imaging and spectroscopy. This is a topic which is advancing rapidly and on which there have been a number of conferences recently, and yet there has not been presented an overview of the field and some idea of what the advantages and disadvantages of the photon diffusion technology may be. Thus, this paper emphasizes diffusion waves for spectroscopy and imaging deep within the tissue and, at the same time, for providing specificity information of both absorption and scattering. In achieving this goal, I will not be able to cite all of the advantages of technologies that view the superficial layers of skin, retina, etc., on the one hand, nor those that measure the photons that have been scattered minimally on the transit between input and output. One of the main reasons for this is that specificity of the optical methods requires all of the information available: absorption and scattering of intrinsic signals naturally in the tissue, and of extrinsic signal due to contrast agents that have been artificially lodged in strategic tissue volumes. Since this paper is essentially the transcript of a lecture, it is not proposed as a topic review and does not contain full-scale bibliographic references, some of which may be found in a recent review elsewhere. This paper highlights what we all might accomplish in order to bring to bear with maximal effectiveness the optical method for altering the outcome of medical problems. I have not emphasized the mathematics of photon diffusion so well represented by the papers of this symposium volume. The achievable goals of the optical methods are to speed detection, improve diagnosis, guide therapy, and what appears in the minds of most, contribute to the improvement of medical economics. In order to fulfill these objectives, we will in the end have to demonstrate by lengthy and expensive clinical studies that the

  18. Observing Resolved Stellar Populations with the JWST Near-Infrared Spectrograph

    NASA Astrophysics Data System (ADS)

    Gilbert, K. M.; Beck, T. L.; Karakla, D. M.

    2016-10-01

    The James Webb Space Telescope's (JWST) Near Infrared Spectrograph (NIRSpec) will provide a multi-object spectroscopy (MOS) mode through the Micro-Shutter Array (MSA). Each MSA quadrant is a grid of contiguous shutters that can be configured to form slits on more than 100 astronomical targets simultaneously. The combination of JWST's sensitivity and superb resolution in the infrared and NIRSpec's full wavelength coverage over 0.6 to 5 μm will open new parameter space for studies of galaxies and resolved stellar populations alike. We describe a NIRSpec MSA observing scenario of spectroscopy of individual stars in an external galaxy, and investigate the technical challenges posed by this scenario. This use case and others, including a deep galaxy survey and observations of Galactic HII regions, are guiding development of the NIRSpec user interfaces including proposal planning and pipeline calibrations.

  19. [Infrared spectroscopy application in soil organic matter].

    PubMed

    Wu, J; Xi, S; Jiang, Y

    1998-02-01

    As an important method to study the constitution and properties of macromolecular organic compounds, the infrared spectroscopy has been more and more widely taken in the researches of soil organic matters (SOM). Especially,the application of FTIR and the combined uses of FTIR with chromatogram etc. have made the researches of SOM get a great progress in many aspects. In this paper, the infrared spectroscopy applications were reviewed in SOM. It includes the following contents: the methods to study SOM by IR, studies on the constitution of soil humic substances (SHS), extraction of SOM and classification of SHS, decomposition, transformation and humification of organic matters, the differences of SOM in different situations, the interactions of SHS with metais, clay minerals and other organics in soil.

  20. Nonlinear photothermal mid-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Totachawattana, Atcha; Erramilli, Shyamsunder; Sander, Michelle Y.

    2016-10-01

    Mid-infrared photothermal spectroscopy is a pump-probe technique for label-free and non-destructive sample characterization by targeting intrinsic vibrational modes. In this method, the mid-infrared pump beam excites a temperature-induced change in the refractive index of the sample. This laser-induced change in the refractive index is measured by a near-infrared probe laser using lock-in detection. At increased pump powers, emerging nonlinear phenomena not previously demonstrated in other mid-infrared techniques are observed. Nonlinear study of a 6 μm-thick 4-Octyl-4'-Cyanobiphenyl (8CB) liquid crystal sample is conducted by targeting the C=C stretching band at 1606 cm-1. At high pump powers, nonlinear signal enhancement and multiple pitchfork bifurcations of the spectral features are observed. An explanation of the nonlinear peak splitting is provided by the formation of bubbles in the sample at high pump powers. The discontinuous refractive index across the bubble interface results in a decrease in the forward scatter of the probe beam. This effect can be recorded as a bifurcation of the absorption peak in the photothermal spectrum. These nonlinear effects are not present in direct measurements of the mid-infrared beam. Evolution of the nonlinear photothermal spectrum of 8CB liquid crystal with increasing pump power shows enhancement of the absorption peak at 1606 cm-1. Multiple pitchfork bifurcations and spectral narrowing of the photothermal spectrum are demonstrated. This novel nonlinear regime presents potential for improved spectral resolution as well as a new regime for sample characterization in mid-infrared photothermal spectroscopy.

  1. Model for quantitative tip-enhanced spectroscopy and the extraction of nanoscale-resolved optical constants

    NASA Astrophysics Data System (ADS)

    McLeod, Alexander S.; Kelly, P.; Goldflam, M. D.; Gainsforth, Z.; Westphal, A. J.; Dominguez, Gerardo; Thiemens, Mark H.; Fogler, Michael M.; Basov, D. N.

    2014-08-01

    Near-field infrared spectroscopy by elastic scattering of light from a probe tip resolves optical contrasts in materials at dramatically subwavelength scales across a broad energy range, with the demonstrated capacity for chemical identification at the nanoscale. However, current models of probe-sample near-field interactions still cannot provide a sufficiently quantitatively interpretation of measured near-field contrasts, especially in the case of materials supporting strong surface phonons. We present a model of near-field spectroscopy derived from basic principles and verified by finite-element simulations, demonstrating superb predictive agreement both with tunable quantum cascade laser near-field spectroscopy of SiO2 thin films and with newly presented nanoscale Fourier transform infrared (nanoFTIR) spectroscopy of crystalline SiC. We discuss the role of probe geometry, field retardation, and surface mode dispersion in shaping the measured near-field response. This treatment enables a route to quantitatively determine nanoresolved optical constants, as we demonstrate by inverting newly presented nanoFTIR spectra of an SiO2 thin film into the frequency dependent dielectric function of its mid-infrared optical phonon. Our formalism further enables tip-enhanced spectroscopy as a potent diagnostic tool for quantitative nanoscale spectroscopy.

  2. Time-Resolved Emission Spectroscopy of Field Reversed Configuration Thruster

    DTIC Science & Technology

    2016-08-31

    Field Reversed Configuration (FRC) thrusters are candidates for next generation high -powered electric propulsion (EP) • Advantages over competing...16468 Introduction • Field Reversed Configuration (FRC) thrusters are candidates for next generation high -powered electric propulsion (EP) • Advantages...Briefing Charts 3. DATES COVERED (From - To) 06 September 2016 - 01 November 2016 4. TITLE AND SUBTITLE Time-Resolved Emission Spectroscopy of Field

  3. Infrared and infrared emission spectroscopy of the zinc carbonate mineral smithsonite

    NASA Astrophysics Data System (ADS)

    Frost, Ray L.; Martens, Wayde N.; Wain, Daria L.; Hales, Matt C.

    2008-10-01

    Infrared emission and infrared spectroscopy has been used to study a series of selected natural smithsonites from different origins. An intense broad infrared band at 1440 cm -1 is assigned to the ν CO 32- antisymmetric stretching vibration. An additional band is resolved at 1335 cm -1. An intense sharp Raman band at 1092 cm -1 is assigned to the CO 32- symmetric stretching vibration. Infrared emission spectra show a broad antisymmetric band at 1442 cm -1 shifting to lower wavenumbers with thermal treatment. A band observed at 870 cm -1 with a band of lesser intensity at 842 cm -1 shifts to higher wavenumbers upon thermal treatment and is observed at 865 cm -1 at 400 °C and is assigned to the CO 32-ν mode. No ν bending modes are observed in the Raman spectra for smithsonite. The band at 746 cm -1 shifts to 743 cm -1 at 400 °C and is attributed to the CO 32-ν in phase bending modes. Two infrared bands at 744 and around 729 cm -1 are assigned to the ν in phase bending mode. Multiple bands may be attributed to the structural distortion ZnO 6 octahedron. This structural distortion is brought about by the substitution of Zn by some other cation. A number of bands at 2499, 2597, 2858, 2954 and 2991 cm -1 in both the IE and infrared spectra are attributed to combination bands.

  4. Background-Limited Infrared-Submillimeter Spectroscopy (BLISS)

    NASA Technical Reports Server (NTRS)

    Bradford, Charles Matt

    2004-01-01

    The bulk of the cosmic far-infrared background light will soon be resolved into its individual sources with Spitzer, Astro-F, Herschel, and submm/mm ground-based cameras. The sources will be dusty galaxies at z approximately equal to 1-4. Their physical conditions and processes in these galaxies are directly probed with moderate-resolution spectroscopy from 20 micrometers to 1 mm. Currently large cold telescopes are being combined with sensitive direct detectors, offering the potential for mid-far-IR spectroscopy at the background limit (BLISS). The capability will allow routine observations of even modest high-redshift galaxies in a variety of lines. The BLISS instrument's capabilities are described in this presentation.

  5. Time-resolved resonance Raman spectroscopy: exploring reactive intermediates.

    PubMed

    Sahoo, Sangram Keshari; Umapathy, Siva; Parker, Anthony W

    2011-10-01

    The study of reaction mechanisms involves systematic investigations of the correlation between structure, reactivity, and time. The challenge is to be able to observe the chemical changes undergone by reactants as they change into products via one or several intermediates such as electronic excited states (singlet and triplet), radicals, radical ions, carbocations, carbanions, carbenes, nitrenes, nitrinium ions, etc. The vast array of intermediates and timescales means there is no single "do-it-all" technique. The simultaneous advances in contemporary time-resolved Raman spectroscopic techniques and computational methods have done much towards visualizing molecular fingerprint snapshots of the reactive intermediates in the microsecond to femtosecond time domain. Raman spectroscopy and its sensitive counterpart resonance Raman spectroscopy have been well proven as means for determining molecular structure, chemical bonding, reactivity, and dynamics of short-lived intermediates in solution phase and are advantageous in comparison to commonly used time-resolved absorption and emission spectroscopy. Today time-resolved Raman spectroscopy is a mature technique; its development owes much to the advent of pulsed tunable lasers, highly efficient spectrometers, and high speed, highly sensitive multichannel detectors able to collect a complete spectrum. This review article will provide a brief chronological development of the experimental setup and demonstrate how experimentalists have conquered numerous challenges to obtain background-free (removing fluorescence), intense, and highly spectrally resolved Raman spectra in the nanosecond to microsecond (ns-μs) and picosecond (ps) time domains and, perhaps surprisingly, laid the foundations for new techniques such as spatially offset Raman spectroscopy. © 2011 Society for Applied Spectroscopy

  6. Rotationally resolved near-infrared spectrum of HCBr

    SciTech Connect

    Chang, Bor-Chen; Sears, T.J.

    1996-12-31

    The rotationally resolved spectrum of bromomethylene (HCBr) in the vicinity of 12800 cm{sup -1} was obtained at Doppler-limited resolution using a transient frequency-modulation absorption technique. In contrast to the better studied halo-methylenes (HCF and HCCl), the number of experimental investigations on HCBr is very limited. Xu et al. reported the spectrum at visible wavelengths, but no rotational structure was resolved. Gilles et al. have used photoelectron spectroscopy to determine the singlet-triplet separation to be 2.6{+-}2.2 kcal/mol. Based upon previous studies, the authors tentatively assign the observed band to be the A{sup 1}A{double_prime}(0,2,0){r_arrow}x{sup 1}A{prime}(0,0,0) transition. The analysis of the observed spectrum will be discussed.

  7. High resolution infrared spectroscopy: Some new approaches and applications to planetary atmospheres

    NASA Technical Reports Server (NTRS)

    Mumma, M. J.

    1978-01-01

    The principles of spectral line formation and of techniques for retrieval of atmospheric temperature and constituent profiles are discussed. Applications to the atmospheres of Earth, Mars, Venus, and Jupiter are illustrated by results obtained with Fourier transform and infrared heterodyne spectrometers at resolving powers (lambda/delta hyperon lambda of approximately 10,000 and approximately 10 to the seventh power), respectively, showing the high complementarity of spectroscopy at these two widely different resolving powers. The principles of heterodyne spectroscopy are presented and its applications to atmospheric probing and to laboratory spectroscopy are discussed. Direct absorption spectroscopy with tuneable semiconductor lasers is discussed in terms of precision frequency-and line strength-measurements, showing substantial advances in laboratory infrared spectroscopy.

  8. Infrared polarization spectroscopy of CO 2 at atmospheric pressure

    NASA Astrophysics Data System (ADS)

    Alwahabi, Z. T.; Li, Z. S.; Zetterberg, J.; Aldén, M.

    2004-04-01

    Polarisation spectroscopy (PS) was used to probe CO 2 gas concentration in a CO 2/N 2 binary mixture at atmospheric pressure and ambient temperature. The CO 2 molecules were probed by a direct laser excitation to an overtone and combination vibrational state. The tuneable narrow linewidth infrared laser radiation at 2 μm was obtained by Raman shifting of the output from a single-longitudinal-mode pulsed alexandrite laser-system to the second Stokes component in a H 2 gas cell. Infrared polarisation spectroscopy (IRPS) and time-resolved infrared laser-induced fluorescence (IRLIF) spectra were collected. A linear dependence of the IRPS signal on the CO 2 mole fraction has been found. This indicates that the IRPS signal is only weakly affected by the molecular collisions and that the inter- and intra- molecular energy transfer processes do not strongly influence the molecular alignment at the time scale of the measurements. Thus IRPS holds great potential for quantitative instantaneous gas concentration diagnostics in general. This is especially important for molecules which do not posses an accessible optical transition such as CO, CO 2 and N 2O. In addition, an accurate experimental method to measure the extinction ratio of the IR polarisers employed in this study has been developed and applied. With its obvious merits as simplicity, easy alignment and high accuracy, the method can be generalized to all spectral regions, different polarisers and high extinction ratios.

  9. Resolving molecular vibronic structure using high-sensitivity two-dimensional electronic spectroscopy.

    PubMed

    Bizimana, Laurie A; Brazard, Johanna; Carbery, William P; Gellen, Tobias; Turner, Daniel B

    2015-10-28

    Coherent multidimensional optical spectroscopy is an emerging technique for resolving structure and ultrafast dynamics of molecules, proteins, semiconductors, and other materials. A current challenge is the quality of kinetics that are examined as a function of waiting time. Inspired by noise-suppression methods of transient absorption, here we incorporate shot-by-shot acquisitions and balanced detection into coherent multidimensional optical spectroscopy. We demonstrate that implementing noise-suppression methods in two-dimensional electronic spectroscopy not only improves the quality of features in individual spectra but also increases the sensitivity to ultrafast time-dependent changes in the spectral features. Measurements on cresyl violet perchlorate are consistent with the vibronic pattern predicted by theoretical models of a highly displaced harmonic oscillator. The noise-suppression methods should benefit research into coherent electronic dynamics, and they can be adapted to multidimensional spectroscopies across the infrared and ultraviolet frequency ranges.

  10. Resolving molecular vibronic structure using high-sensitivity two-dimensional electronic spectroscopy

    SciTech Connect

    Bizimana, Laurie A.; Brazard, Johanna; Carbery, William P.; Gellen, Tobias; Turner, Daniel B.

    2015-10-28

    Coherent multidimensional optical spectroscopy is an emerging technique for resolving structure and ultrafast dynamics of molecules, proteins, semiconductors, and other materials. A current challenge is the quality of kinetics that are examined as a function of waiting time. Inspired by noise-suppression methods of transient absorption, here we incorporate shot-by-shot acquisitions and balanced detection into coherent multidimensional optical spectroscopy. We demonstrate that implementing noise-suppression methods in two-dimensional electronic spectroscopy not only improves the quality of features in individual spectra but also increases the sensitivity to ultrafast time-dependent changes in the spectral features. Measurements on cresyl violet perchlorate are consistent with the vibronic pattern predicted by theoretical models of a highly displaced harmonic oscillator. The noise-suppression methods should benefit research into coherent electronic dynamics, and they can be adapted to multidimensional spectroscopies across the infrared and ultraviolet frequency ranges.

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

    NASA Astrophysics Data System (ADS)

    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).

  12. Fourier transform infrared difference and time-resolved infrared detection of the electron and proton transfer dynamics in photosynthetic water oxidation.

    PubMed

    Noguchi, Takumi

    2015-01-01

    Photosynthetic water oxidation, which provides the electrons necessary for CO₂ reduction and releases O₂ and protons, is performed at the Mn₄CaO₅ cluster in photosystem II (PSII). In this review, studies that assessed the mechanism of water oxidation using infrared spectroscopy are summarized focusing on electron and proton transfer dynamics. Structural changes in proteins and water molecules between intermediates known as Si states (i=0-3) were detected using flash-induced Fourier transform infrared (FTIR) difference spectroscopy. Electron flow in PSII and proton release from substrate water were monitored using the infrared changes in ferricyanide as an exogenous electron acceptor and Mes buffer as a proton acceptor. Time-resolved infrared (TRIR) spectroscopy provided information on the dynamics of proton-coupled electron transfer during the S-state transitions. In particular, a drastic proton movement during the lag phase (~200μs) before electron transfer in the S3→S0 transition was detected directly by monitoring the infrared absorption of a polarizable proton in a hydrogen bond network. Furthermore, the proton release pathways in the PSII proteins were analyzed by FTIR difference measurements in combination with site-directed mutagenesis, isotopic substitutions, and quantum chemical calculations. Therefore, infrared spectroscopy is a powerful tool for understanding the molecular mechanism of photosynthetic water oxidation. This article is part of a Special Issue entitled: Vibrational spectroscopies and bioenergetic systems.

  13. Drill hole logging with infrared spectroscopy

    USGS Publications Warehouse

    Calvin, W.M.; Solum, J.G.

    2005-01-01

    Infrared spectroscopy has been used to identify rocks and minerals for over 40 years. The technique is sensitive to primary silicates as well as alteration products. Minerals can be uniquely identified based on multiple absorption features at wavelengths from the visible to the thermal infrared. We are currently establishing methods and protocols in order to use the technique for rapid assessment of downhole lithology on samples obtained during drilling operations. Initial work performed includes spectral analysis of chip cuttings and core sections from drill sites around Desert Peak, NV. In this paper, we report on a survey of 10,000 feet of drill cuttings, at 100 foot intervals, from the San Andreas Fault Observatory at Depth (SAFOD). Data from Blue Mountain geothermal wells will also be acquired. We will describe the utility of the technique for rapid assessment of lithologic and mineralogic discrimination.

  14. Infrared Spectroscopy of Anhydrous Interplanetary Dust Particles

    NASA Technical Reports Server (NTRS)

    Keller, L. P.; Flynn, G. J.

    2003-01-01

    Infrared (IR) spectroscopy is the primary means of mineralogical analysis of materials outside our solar system. The identity and properties of circumstellar grains are inferred from spectral comparisons between astronomical observations and laboratory data from natural and synthetic materials. These comparisons have been facilitated by the Infrared Space Observatory (ISO), which obtained IR spectra from numerous astrophysical objects over a wide spectral range (out to 50/cm) where crystalline silicates and other phases have distinct features. The anhydrous interplanetary dust particles (IDPs) are particularly important comparison materials because some IDPs contain carbonaceous material with non-solar D/H and N-15/N-14 ratios and amorphous and crystalline silicates with non-solar 0- isotopic ratios, demonstrating that these IDPs contain preserved interstellar material. Here, we report on micro- Fourier transform (FT) IR spectrometry of IDPs, focusing on the inorganic components of primitive IDPs (FTIR spectra from the organic/carbonacecous materials in IDPs are described elsewhere).

  15. Fourier transform infrared spectroscopy for Mars science

    NASA Astrophysics Data System (ADS)

    Anderson, Mark S.; Andringa, Jason M.; Carlson, Robert W.; Conrad, Pamela; Hartford, Wayne; Shafer, Michael; Soto, Alejandro; Tsapin, Alexandre I.; Dybwad, Jens Peter; Wadsworth, Winthrop; Hand, Kevin

    2005-03-01

    Presented here is a Fourier transform infrared spectrometer (FTIR) for field studies that serves as a prototype for future Mars science applications. Infrared spectroscopy provides chemical information that is relevant to a number of Mars science questions. This includes mineralogical analysis, nitrogen compound recognition, truth testing of remote sensing measurements, and the ability to detect organic compounds. The challenges and scientific opportunities are given for the in situ FTIR analysis of Mars soil and rock samples. Various FTIR sampling techniques are assessed and compared to other analytical instrumentation. The prototype instrument presented is capable of providing field analysis in a Mars analog Antarctic environment. FTIR analysis of endolithic microbial communities in Antarctic rocks and a Mars meteor are given as analytical examples.

  16. Infrared Spectroscopy of Anhydrous Interplanetary Dust Particles

    NASA Technical Reports Server (NTRS)

    Keller, L. P.; Flynn, G. J.

    2003-01-01

    Infrared (IR) spectroscopy is the primary means of mineralogical analysis of materials outside our solar system. The identity and properties of circumstellar grains are inferred from spectral comparisons between astronomical observations and laboratory data from natural and synthetic materials. These comparisons have been facilitated by the Infrared Space Observatory (ISO), which obtained IR spectra from numerous astrophysical objects over a wide spectral range (out to 50/cm) where crystalline silicates and other phases have distinct features. The anhydrous interplanetary dust particles (IDPs) are particularly important comparison materials because some IDPs contain carbonaceous material with non-solar D/H and N-15/N-14 ratios and amorphous and crystalline silicates with non-solar 0- isotopic ratios, demonstrating that these IDPs contain preserved interstellar material. Here, we report on micro- Fourier transform (FT) IR spectrometry of IDPs, focusing on the inorganic components of primitive IDPs (FTIR spectra from the organic/carbonacecous materials in IDPs are described elsewhere).

  17. Infrared spectroscopy of wafer-scale graphene.

    PubMed

    Yan, Hugen; Xia, Fengnian; Zhu, Wenjuan; Freitag, Marcus; Dimitrakopoulos, Christos; Bol, Ageeth A; Tulevski, George; Avouris, Phaedon

    2011-12-27

    We report spectroscopy results from the mid- to far-infrared on wafer-scale graphene, grown either epitaxially on silicon carbide or by chemical vapor deposition. The free carrier absorption (Drude peak) is simultaneously obtained with the universal optical conductivity (due to interband transitions) and the wavelength at which Pauli blocking occurs due to band filling. From these, the graphene layer number, doping level, sheet resistivity, carrier mobility, and scattering rate can be inferred. The mid-IR absorption of epitaxial two-layer graphene shows a less pronounced peak at 0.37 ± 0.02 eV compared to that in exfoliated bilayer graphene. In heavily chemically doped single-layer graphene, a record high transmission reduction due to free carriers approaching 40% at 250 μm (40 cm(-1)) is measured in this atomically thin material, supporting the great potential of graphene in far-infrared and terahertz optoelectronics.

  18. Size resolved infrared spectroscopy of Na(CH3OH)n (n = 4-7) clusters in the OH stretching region: unravelling the interaction of methanol clusters with a sodium atom and the emergence of the solvated electron.

    PubMed

    Forck, Richard M; Pradzynski, Christoph C; Wolff, Sabine; Ončák, Milan; Slavíček, Petr; Zeuch, Thomas

    2012-03-07

    Size resolved IR action spectra of neutral sodium doped methanol clusters have been measured using IR excitation modulated photoionisation mass spectroscopy. The Na(CH(3)OH)(n) clusters were generated in a supersonic He seeded expansion of methanol by subsequent Na doping in a pick-up cell. A combined analysis of IR action spectra, IP evolutions and harmonic predictions of IR spectra (using density functional theory) of the most stable structures revealed that for n = 4, 5 structures with an exterior Na atom showing high ionisation potentials (IPs) of ~4 eV dominate, while for n = 6, 7 clusters with lower IPs (~3.2 eV) featuring fully solvated Na atoms and solvated electrons emerge and dominate the IR action spectra. For n = 4 simulations of photoionisation spectra using an ab initio MD approach confirm the dominance of exterior structures and explain the previously reported appearance IP of 3.48 eV by small fractions of clusters with partly solvated Na atoms. Only for this cluster size a shift in the isomer composition with cluster temperature has been observed, which may be related to kinetic stabilisation of less Na solvated clusters at low temperatures. Features of slow fragmentation dynamics of cationic Na(+)(CH(3)OH)(6) clusters have been observed for the photoionisation near the adiabatic limit. This finding points to the relevance of previously proposed non-vertical photoionisation dynamics of this system.

  19. Infrared Heterodyne Spectroscopy and its Unique Application to Planetary Studies

    NASA Technical Reports Server (NTRS)

    Kostiuk, Theodore

    2009-01-01

    Since the early 1970's the infrared heterodyne technique has evolved into a powerful tool for the study of molecular constituents, temperatures, and dynamics in planetary atmospheres. Its extremely high spectral resolution (Lambda/(Delta)Lambda/>10(exp 6)) and highly accurate frequency measurement (to 1 part in 10(exp 8)) enabled the detection of nonthermal/natural lasing phenomena on Mars and Venus; direct measurements of winds on Venus, Mars, and Titan; study of mid-infrared aurorae on Jupiter; direct measurement of species abundances on Mars (ozone, isotopic CO2), hydrocarbons on Jupiter, Saturn., Neptune, and Titan, and stratospheric composition in the Earth's stratosphere (O3, CIO, N2O, CO2 ....). Fully resolved emission and absorption line shapes measured by this method enabled the unambiguous retrieval of molecular abundances and local temperatures and thermal structure in regions not probed by other techniques. The mesosphere of Mars and thermosphere of Venus are uniquely probed by infrared heterodyne spectroscopy. Results of these studies tested and constrained photochemical and dynamical theoretical models describing the phenomena measured. The infrared heterodyne technique will be described. Highlights in its evolution to today's instrumentation and resultant discoveries will be presented, including work at Goddard Space Flight Center and the University of Koln. Resultant work will include studies supporting NASA and ESA space missions and collaborations between instrumental and theoretical groups.

  20. Infrared Heterodyne Spectroscopy and its Unique Application to Planetary Studies

    NASA Technical Reports Server (NTRS)

    Kostiuk, Theodore

    2009-01-01

    Since the early 1970's the infrared heterodyne technique has evolved into a powerful tool for the study of molecular constituents, temperatures, and dynamics in planetary atmospheres. Its extremely high spectral resolution (Lambda/(Delta)Lambda/>10(exp 6)) and highly accurate frequency measurement (to 1 part in 10(exp 8)) enabled the detection of nonthermal/natural lasing phenomena on Mars and Venus; direct measurements of winds on Venus, Mars, and Titan; study of mid-infrared aurorae on Jupiter; direct measurement of species abundances on Mars (ozone, isotopic CO2), hydrocarbons on Jupiter, Saturn., Neptune, and Titan, and stratospheric composition in the Earth's stratosphere (O3, CIO, N2O, CO2 ....). Fully resolved emission and absorption line shapes measured by this method enabled the unambiguous retrieval of molecular abundances and local temperatures and thermal structure in regions not probed by other techniques. The mesosphere of Mars and thermosphere of Venus are uniquely probed by infrared heterodyne spectroscopy. Results of these studies tested and constrained photochemical and dynamical theoretical models describing the phenomena measured. The infrared heterodyne technique will be described. Highlights in its evolution to today's instrumentation and resultant discoveries will be presented, including work at Goddard Space Flight Center and the University of Koln. Resultant work will include studies supporting NASA and ESA space missions and collaborations between instrumental and theoretical groups.

  1. Detection of Endolithes Using Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Dumas, S.; Dutil, Y.; Joncas, G.

    2009-12-01

    On Earth, the Dry Valleys of Antarctica provide the closest martian-like environment for the study of extremophiles. Colonies of bacterias are protected from the freezing temperatures, the drought and UV light. They represent almost half of the biomass of those regions. Due to their resilience, endolithes are one possible model of martian biota. We propose to use infrared spectroscopy to remotely detect those colonies even if there is no obvious sign of their presence. This remote sensing approach reduces the risk of contamination or damage to the samples.

  2. Infrared spectroscopy study of irradiated PVDF

    SciTech Connect

    Chappa, Veronica; Grosso, Mariela del; Garcia Bermudez, Gerardo; Behar, Moni

    2007-10-26

    The effects induced by 1 MeV/amu ion irradiations were compared to those induced by 4-12 MeV/amu irradiations. Structural analysis with infrared spectroscopy (FTIR) was carried out on PVDF irradiated using C and He beams with different fluences. From these spectra it was observed, as a function of fluence, an overall destruction of the polymer, amorphization of the crystalline regions and the creation of in-chain unsaturations. The track dimensions were determined using a previously developed Monte Carlo simulation code and these results were compared to a semiempirical model.

  3. Mid-infrared time-resolved photoconduction in black phosphorus

    NASA Astrophysics Data System (ADS)

    Suess, Ryan J.; Leong, Edward; Garrett, Joseph L.; Zhou, Tong; Salem, Reza; Munday, Jeremy N.; Murphy, Thomas E.; Mittendorff, Martin

    2016-12-01

    Black phosphorus has attracted interest as a material for use in optoelectronic devices due to many favorable properties such as a high carrier mobility, field-effect, and a direct bandgap that can range from 0.3 eV in its bulk crystalline form to 1.7-2.0 eV for a single atomic layer. The low bandgap energy for multilayer black phosphorus consisting of more than approximately five atomic layers allows for direct transition photoabsorption that enables detection of light out to mid-infrared frequencies. In this work, we characterize the room temperature optical response of a black phosphorus photoconductive detector at wavelengths ranging from 1.56 to 3.75 μm. Pulsed autocorrelation measurements in the near-infrared regime reveal a strong, sub-linear photocurrent nonlinearity with a response time of 1 ns, indicating that gigahertz electrical bandwidth is feasible. Time resolved photoconduction measurements covering near- and mid-infrared frequencies show a fast 65 ps rise time, followed by a carrier relaxation with a time scale that matches the intrinsic limit determined by autocorrelation. The sublinear photoresponse is shown to be caused by a reduction in the carrier relaxation time as more energy is absorbed in the black phosphorus flake and is well described by a carrier recombination model that is nonlinear with excess carrier density. The device exhibits a measured noise-equivalent power of 530 pW Hz-1/2, which is the value expected for Johnson noise limited performance. The fast and sensitive room temperature photoresponse demonstrates that black phosphorus is a promising new material for mid-infrared optoelectronics.

  4. Near- and mid-Infrared Resolved Imaging of Titan's Atmosphere

    NASA Astrophysics Data System (ADS)

    Roe, H. G.; de Pater, I.; Gibbard, S. G.; Macintosh, B.; Max, C. E.; McKay, C. P.

    2000-10-01

    We present spatially resolved images of Titan in the near-infrared (1-2.5 μ m) with the W.M. Keck Observatory Adaptive Optics (AO) system and in the mid-infrared (8-13 μ m) with the Keck Long Wave Spectometer (LWS). On 30 October 1999 (UT) we observed a bright cloud band at 70° S latitude in two narrowband filters (each ~1% bandwidth centered on 1.158 μ m and 1.702 μ m) chosen such that they selectively probe the atmosphere above the tropopause. The feature was spatially unresolved in latitude and extended over all visible longitudes. From measurements of a star, the AO system achieved a spatial resolution at 1.158 μ m of 0.032'', or 190 km on Titan. Further, we observed a broad haze band extending over approximately 60o of latitude centered slightly south of Titan's equator. This feature is apparent in near-infrared AO images from October 1999. Mid-infrared LWS images from September and November 1999 with a resolution of ~0.2'' show structure across the disk of Titan, and we compare these with models of haze thermal emission in order to determine the haze distribution. HGR is funded by a NASA-GSRP fellowship. This research was supported in part by the STC Program of the National Science Foundation under Agreement No. AST-9876783, and in part under the auspices of the US Department of Energy at Lawrence Livermore National Laboratory, Univ. of Calif. under contract No. W-7405-Eng-48.

  5. EMCCD-based spectrally resolved fluorescence correlation spectroscopy.

    PubMed

    Bestvater, Felix; Seghiri, Zahir; Kang, Moon Sik; Gröner, Nadine; Lee, Ji Young; Im, Kang-Bin; Wachsmuth, Malte

    2010-11-08

    We present an implementation of fluorescence correlation spectroscopy with spectrally resolved detection based on a combined commercial confocal laser scanning/fluorescence correlation spectroscopy microscope. We have replaced the conventional detection scheme by a prism-based spectrometer and an electron-multiplying charge-coupled device camera used to record the photons. This allows us to read out more than 80,000 full spectra per second with a signal-to-noise ratio and a quantum efficiency high enough to allow single photon counting. We can identify up to four spectrally different quantum dots in vitro and demonstrate that spectrally resolved detection can be used to characterize photophysical properties of fluorophores by measuring the spectral dependence of quantum dot fluorescence emission intermittence. Moreover, we can confirm intracellular cross-correlation results as acquired with a conventional setup and show that spectral flexibility can help to optimize the choice of the detection windows.

  6. Studying the Stereochemistry of Naproxen Using Rotationally Resolved Electronic Spectroscopy.

    NASA Astrophysics Data System (ADS)

    Young, Justin W.; Alvarez-Valtierra, Leonardo; Pratt, David W.

    2009-06-01

    Many biochemical processes are stereospecific. An example is the physiological response to a drug that depends on its enantiomeric form. Naproxen is a drug which shows this stereo-specific physiological response. To better understand the stereo specificity of chiral substances, we observed the S_1←S_0 transitions of R- and S-naproxen in the gas phase using rotationally resolved electronic spectroscopy. The results will be discussed.

  7. Momentum Resolved Radio Frequency Spectroscopy in Trapped Fermi Gases

    SciTech Connect

    Chen Qijin; Levin, K.

    2009-05-15

    We address recent momentum-resolved radio frequency (rf) spectroscopy experiments, showing how they yield more stringent tests than other comparisons with theory, associated with the ultracold Fermi gases. We demonstrate that, by providing a clear dispersion signature of pairing, they remove the ambiguity plaguing the interpretation of previous rf experiments. Our calculated spectral intensities are in semiquantitative agreement with the data. Even in the presence of a trap, the spectra are predicted to exhibit two BCS-like branches.

  8. Depth-resolved measurements with elliptically polarized reflectance spectroscopy

    PubMed Central

    Bailey, Maria J.; Sokolov, Konstantin

    2016-01-01

    The ability of elliptical polarized reflectance spectroscopy (EPRS) to detect spectroscopic alterations in tissue mimicking phantoms and in biological tissue in situ is demonstrated. It is shown that there is a linear relationship between light penetration depth and ellipticity. This dependence is used to demonstrate the feasibility of a depth-resolved spectroscopic imaging using EPRS. The advantages and drawbacks of EPRS in evaluation of biological tissue are analyzed and discussed. PMID:27446712

  9. Infrared spectroscopy of mass-selected carbocations

    SciTech Connect

    Duncan, Michael A.

    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.

  10. Infrared Spectroscopy as a Chemical Fingerprinting Tool

    NASA Technical Reports Server (NTRS)

    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.

  11. The RESOLVE Survey: REsolved Spectroscopy Of a Local VolumE

    NASA Astrophysics Data System (ADS)

    Kannappan, Sheila; Norris, M. A.; Eckert, K. D.; Moffett, A. J.; Stark, D. V.; Haynes, M. P.; Giovanelli, R.; Berlind, A. A.; Wei, L. H.; Baker, A. J.; Vogel, S. N.; Hendel, D. A.; RESOLVE Team

    2011-01-01

    The RESOLVE Survey is a volume-limited census of stellar, gas, and dynamical mass as well as merging and star formation within 53,000 cubic Mpc of the nearby cosmic web in two long equatorial strips. The survey's primary science drivers include relating the galaxy velocity and mass functions to environment, constraining the "missing baryons" problem from a complete accounting perspective, and understanding galaxy disk building in large-scale context. RESOLVE's unique data product is high-resolution multiple-longslit spectroscopy, targeting all 1500 galaxies with baryonic (stellar + cold gas) mass > 109 Msun in the volume. Combined with a complete redshift survey, this spectroscopy will enable an unprecedented high dynamic-range view of how kinematically estimated mass is distributed on scales from dwarf galaxies to clusters. To trace stellar and gas mass, RESOLVE is drawing on deep public surveys at UV, optical, IR, and radio wavelengths, most notably the 21cm ALFALFA Survey. Here we present early results: (1) statistics of our efforts to recover galaxies missed by RESOLVE's parent survey, the SDSS; (2) calibration of indirect atomic and molecular gas estimators to supplement direct observations; (3) progress toward optimizing stellar mass and environment measures; and (4) a first installment of kinematic data focusing on S0 galaxies. This work is supported by the National Science Foundation under CAREER award 0955368.

  12. Infrared spectroscopy of exoplanets: observational constraints

    PubMed Central

    Encrenaz, Thérèse

    2014-01-01

    The exploration of transiting extrasolar planets is an exploding research area in astronomy. With more than 400 transiting exoplanets identified so far, these discoveries have made possible the development of a new research field, the spectroscopic characterization of exoplanets' atmospheres, using both primary and secondary transits. However, these observations have been so far limited to a small number of targets. In this paper, we first review the advantages and limitations of both primary and secondary transit methods. Then, we analyse what kind of infrared spectra can be expected for different types of planets and discuss how to optimize the spectral range and the resolving power of the observations. Finally, we propose a list of favourable targets for present and future ground-based observations. PMID:24664918

  13. Infrared spectroscopy of exoplanets: observational constraints.

    PubMed

    Encrenaz, Thérèse

    2014-04-28

    The exploration of transiting extrasolar planets is an exploding research area in astronomy. With more than 400 transiting exoplanets identified so far, these discoveries have made possible the development of a new research field, the spectroscopic characterization of exoplanets' atmospheres, using both primary and secondary transits. However, these observations have been so far limited to a small number of targets. In this paper, we first review the advantages and limitations of both primary and secondary transit methods. Then, we analyse what kind of infrared spectra can be expected for different types of planets and discuss how to optimize the spectral range and the resolving power of the observations. Finally, we propose a list of favourable targets for present and future ground-based observations.

  14. Stratospheric sounding by infrared heterodyne spectroscopy

    NASA Technical Reports Server (NTRS)

    Abbas, M. M.; Kunde, V. G.; Mumma, M. J.; Kostiuk, T.; Buhl, D.; Frerking, M. A.

    1978-01-01

    Intensity profiles of infrared spectral lines of stratospheric constituents can be fully resolved with a heterodyne spectrometer of sufficiently high resolution. The constituents' vertical distributions can then be evaluated accurately by analytic inversion of the measured line profiles. Estimates of the detection sensitivity of a heterodyne receiver are given in terms of minimum detectable volume mixing ratios of stratospheric constituents, indicating a large number of minor constituents which can be studied. Stratospheric spectral line shapes, and the resolution required to measure them are discussed in light of calculated synthetic line profiles for some stratospheric molecules in a model atmosphere. The inversion technique for evaluation of gas concentration profiles is briefly described and applications to synthetic lines of O3, CO2, CH4 and N2O are given.

  15. Spectrally resolved infrared radiances from AIRS observation and GCM simulation

    NASA Astrophysics Data System (ADS)

    Huang, Y.; Ramaswamy, V.

    2007-12-01

    Global multi-year spectrally resolved infrared radiances observed by the Atmospheric Infrared Sound (AIRS) satellite instrument and simulated from the General Circulation Models (GCMs) of the Geophysical Fluid Dynamics Lab (GFDL) are processed to obtain long-term global and regional means as well as the associated spatial and temporal variability. The accumulated radiance data comprise a host of phenomena that are still largely unrecognized but reveal important physical processes. For instance, the correlation between the radiances and the Sea Surface Temperatures (SSTs) discloses the roles of water vapor in both upper (via its v2 band) and lower (via the continuum in the window region) troposphere, and that of clouds regarding the so called "super greenhouse effect" in Tropics. A comparison between observed and simulated radiances demonstrates that radiance affords a stricter and more insightful metric than the broadband flux. A seemingly good agreement of OLR flux may arise from cancellation of errors of opposite signs in different spectral regions; radiance biases are indicative of physical causes because the radiances at each frequency are sensitive to factor(s) at different levels. Model validation at the radiance level thus provides a complementary and integrative perspective to that obtained using meteorological variables. It is demonstrated that the radiance discrepancies between the GFDL model and the observation are consistent with the model biases in temperature, water vapor and clouds.

  16. Visualizing Infrared (IR) Spectroscopy with Computer Animation

    NASA Technical Reports Server (NTRS)

    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.

  17. Visualizing Infrared (IR) Spectroscopy with Computer Animation

    NASA Technical Reports Server (NTRS)

    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.

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

    PubMed

    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.

  19. Time-resolved Raman spectroscopy for in situ planetary mineralogy.

    PubMed

    Blacksberg, Jordana; Rossman, George R; Gleckler, Anthony

    2010-09-10

    Planetary mineralogy can be revealed through a variety of remote sensing and in situ investigations that precede any plans for eventual sample return. We briefly review those techniques and focus on the capabilities for on-surface in situ examination of Mars, Venus, the Moon, asteroids, and other bodies. Over the past decade, Raman spectroscopy has continued to develop as a prime candidate for the next generation of in situ planetary instruments, as it provides definitive structural and compositional information of minerals in their natural geological context. Traditional continuous-wave Raman spectroscopy using a green laser suffers from fluorescence interference, which can be large (sometimes saturating the detector), particularly in altered minerals, which are of the greatest geophysical interest. Taking advantage of the fact that fluorescence occurs at a later time than the instantaneous Raman signal, we have developed a time-resolved Raman spectrometer that uses a streak camera and pulsed miniature microchip laser to provide picosecond time resolution. Our ability to observe the complete time evolution of Raman and fluorescence spectra in minerals makes this technique ideal for exploration of diverse planetary environments, some of which are expected to contain strong, if not overwhelming, fluorescence signatures. We discuss performance capability and present time-resolved pulsed Raman spectra collected from several highly fluorescent and Mars-relevant minerals. In particular, we have found that conventional Raman spectra from fine grained clays, sulfates, and phosphates exhibited large fluorescent signatures, but high quality spectra could be obtained using our time-resolved approach.

  20. Buccal microbiology analyzed by infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    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.

  1. Infrared spectroscopy of different phosphates structures.

    PubMed

    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.

  2. Surface Inspection using fourier transform infrared spectroscopy

    SciTech Connect

    Powell, G.L.; Smyrl, N.R.; Williams, D.M.; Meyers, H.M. III; Barber, T.E.; Marrero-Rivera, M.

    1994-08-08

    The use of reflectance Fourier transform infrared (FTIR) spectroscopy as a tool for surface inspection is described. Laboratory instruments and portable instruments can support remote sensing probes that can map chemical contaminants on surfaces. Detection limits under the best of conditions are in the subnanometer range (i.e., near absolute cleanliness), excellent performance is obtained in the submicrometer range, and useful performance may exist for films tens of microns thick. Identifying and quantifying contamination such as mineral oils and greases, vegetable oils, and silicone oils on aluminum foil, galvanized sheet steel, smooth aluminum tubing, and gritblasted 7075 aluminum alloy and D6AC steel are described. The ability to map in time and space the distribution of oil stains on metals is demonstrated. Techniques for quantitatively applying oils to metals, subsequently verifying the application, and nonlinear relationships between reflectance and the quantity of oil are discussed.

  3. High sensitivity transient infrared spectroscopy: a UV/Visible transient grating spectrometer with a heterodyne detected infrared probe.

    PubMed

    Donaldson, Paul M; Strzalka, Halina; Hamm, Peter

    2012-06-04

    We describe here a high sensitivity means of performing time resolved UV/Visible pump, infrared probe spectroscopy using optically Heterodyne Detected UV-IR Transient Gratings. The experiment design employed is simple, robust and includes a novel means of generating phase locked pulse pairs that relies on only mirrors and a beamsplitter. A signal to noise ratio increase of 24 compared with a conventional pump-probe arrangement is demonstrated.

  4. Mass loss from red giants - Infrared spectroscopy

    NASA Technical Reports Server (NTRS)

    Wannier, P. G.

    1985-01-01

    A discussion is presented of IR spectroscopy, particularly high-resolution spectroscopy in the approximately 1-20 micron band, as it impacts the study of circumstellar envelopes. The molecular bands within this region contain an enormous amount of information, especially when observed with sufficient resolution to obtain kinematic information. In a single spectrum, it is possible to resolve lines from up to 50 different rotational/vibrational levels of a given molecule and to detect several different isotopic variants. When high resolution techniques are combined with mapping techniques and/or time sequence observations of variable stars, the resulting information can paint a very detailed picture of the mass-loss phenomenon. To date, near-IR observations have been made of 20 molecular species. CO is the most widely observed molecule and useful information has been gleaned from the observed rotational excitation, kinematics, time variability and spatial structure of its lines. Examples of different observing techniques are discussed in the following sections.

  5. Infrared Spectroscopy as a Chemical Fingerprinting Tool

    NASA Technical Reports Server (NTRS)

    Huff, Tim; Munafo, Paul M. (Technical Monitor)

    2002-01-01

    Infrared (IR) spectroscopy is a powerful analytical tool in the chemical fingerprinting of materials. The technique is rapid, reproducible and usually non-invasive. With the appropriate accessories, the technique can be used to examine samples in either a solid, liquid or gas phase. Solid samples of varying sizes and shapes may be used, and with the addition of microscopic IR (microspectroscopy) capabilities, minute materials such as single fibers and threads may be examined. 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. Both aqueous and non-aqueous free-flowing solutions can be analyzed using appropriate IR techniques, as can viscous liquids such as heavy oils and greases. 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.

  6. Optical & Infrared Spectroscopy of Transiting Exoplanets

    NASA Astrophysics Data System (ADS)

    Griffith, C. A.; Tinetti, G.

    2010-10-01

    Two types of spectra can be measured from transiting extrasolar planets. The primary eclipse provides a transmission spectra of the exoplanet's limb as the planet passes in front of the star. These data probe the gas and particle composition of the atmosphere, as well as the atmospheric scale height. The secondary eclipse measures the emission of mainly the planet's dayside atmosphere from the planet plus star's emission minus the emission of star alone, when it eclipses the planet. These data probe the temperature and composition structure of the exoplanet. Only in the past 3 years, have infrared transmission and emission spectroscopy revealed the presence of the primary carbon and oxygen species (CH4, CO2, CO, and H2O). Efforts to constrain the abundances of these molecules are hindered by degenerate effects of the temperature and composition in the emission spectra. Transmission spectra, while less sensitive to the atmospheric temperatures, are difficult to interpret because the composition derived depends delicately on the assumed radius at a specified pressure level. This talk will discuss the correlations in the degenerate solutions that result from the radiative transfer analyses of both emission and transmission spectroscopy. The physical implications of these correlations are assessed in order to determine the temperature and composition structure of extrasolar planets, and their significance with respect to the exoplanet's chemistry and dynamics.

  7. Nonlinear infrared spectroscopy free from spectral selection

    PubMed Central

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

    2017-01-01

    Infrared (IR) spectroscopy is an indispensable tool for many practical applications including material analysis and sensing. Existing IR spectroscopy techniques face challenges related to the inferior performance and the high cost of IR-grade components. Here, we develop a new method, which allows studying properties of materials in the IR range using only visible light optics and detectors. It is based on the nonlinear interference of entangled photons, generated via Spontaneous Parametric Down Conversion (SPDC). In our interferometer, the phase of the signal photon in the visible range depends on the phase of an entangled IR photon. When the IR photon is traveling through the media, its properties can be found from observations of the visible photon. We directly acquire the SPDC signal with a visible range CCD camera and use a numerical algorithm to infer the absorption coefficient and the refraction index of the sample in the IR range. Our method does not require the use of a spectrometer and a slit, thus it allows achieving higher signal-to-noise ratio than the earlier developed method. PMID:28218302

  8. Infrared spectroscopy of Jupiter and Saturn

    NASA Technical Reports Server (NTRS)

    Knacke, Roger

    1988-01-01

    High resolution infrared spectoscopy provides unique insights into the chemistry and dynamics of the atmospheres of Jupiter and Saturn. The 5 micrometer spectral region, which is transparent to deep levels, is particularly useful for the identification of molecules that are present at very low (parts per billion) concentrations. These are tracers of convective and strongly non-equilibrium processes in the atmosphere. High resolution ground-based spectroscopy complements Voyager and Galileo measurements. Spectroscopy is sensitive to lower mixing levels for selected molecules, while the on-board mass spectrometers probe molecules that are spectroscopically inaccessible. Analysis and modeling of the 4.7 micrometer carbon monoxide in Jupiter was completed. CO is present at a mole fraction of 1.6 plus or minus 0.3 x 10 to the 9th power and concentrated in the troposphere. At this abundance, it must be convected upward from much deeper levels in Jupiter where the temperature is near 1100 K. Thus CO is a tracer of the deep atmosphere which is otherwise unobservable. The oxygen abundance in Jupiter (as measured by the CO abundance) is near solar. Chemical or physical process must deplete the major oxygen carrier, water. Germane, GeH4, was discovered on Saturn at amole fraction of 4 plus or minus 2 x 10 to the 10th power.

  9. Infrared spectroscopy of Jupiter and Saturn

    NASA Astrophysics Data System (ADS)

    Knacke, Roger

    1988-08-01

    High resolution infrared spectoscopy provides unique insights into the chemistry and dynamics of the atmospheres of Jupiter and Saturn. The 5 micrometer spectral region, which is transparent to deep levels, is particularly useful for the identification of molecules that are present at very low (parts per billion) concentrations. These are tracers of convective and strongly non-equilibrium processes in the atmosphere. High resolution ground-based spectroscopy complements Voyager and Galileo measurements. Spectroscopy is sensitive to lower mixing levels for selected molecules, while the on-board mass spectrometers probe molecules that are spectroscopically inaccessible. Analysis and modeling of the 4.7 micrometer carbon monoxide in Jupiter was completed. CO is present at a mole fraction of 1.6 plus or minus 0.3 x 10 to the 9th power and concentrated in the troposphere. At this abundance, it must be convected upward from much deeper levels in Jupiter where the temperature is near 1100 K. Thus CO is a tracer of the deep atmosphere which is otherwise unobservable. The oxygen abundance in Jupiter (as measured by the CO abundance) is near solar. Chemical or physical process must deplete the major oxygen carrier, water. Germane, GeH4, was discovered on Saturn at amole fraction of 4 plus or minus 2 x 10 to the 10th power.

  10. Nonlinear infrared spectroscopy free from spectral selection

    NASA Astrophysics Data System (ADS)

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

    2017-02-01

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

  11. Time Resolved Phonon Spectroscopy, Version 1.0

    SciTech Connect

    Goett, Johnny; Zhu, Brian

    2016-12-22

    TRPS code was developed for the project "Time Resolved Phonon Spectroscopy". Routines contained in this piece of software were specially created to model phonon generation and tracking within materials that interact with ionizing radiation, particularly applicable to the modeling of cryogenic radiation detectors for dark matter and neutrino research. These routines were created to link seamlessly with the open source Geant4 framework for the modeling of radiation transport in matter, with the explicit intent of open sourcing them for eventual integration into that code base.

  12. Sensitive, time-resolved, broadband spectroscopy of single transient processes

    NASA Astrophysics Data System (ADS)

    Fjodorow, Peter; Baev, Ivan; Hellmig, Ortwin; Sengstock, Klaus; Baev, Valery M.

    2015-09-01

    Intracavity absorption spectroscopy with a broadband Er3+-doped fiber laser is applied to time-resolved measurements of transient gain and absorption in electrically excited Xe and Kr plasmas. The achieved time resolution for broadband spectral recording of a single process is 25 µs. For pulsed-periodic processes, the time resolution is limited by the laser pulse duration, which is set here to 3 µs. This pulse duration also predefines the effective absorption path length, which amounts to 900 m. The presented technique can be applied to multicomponent analysis of single transient processes such as shock tube experiments, pulse detonation engines, or explosives.

  13. [Application of near-infrared diffuse reflectance spectroscopy to the detection and identification of transgenic corn].

    PubMed

    Rui, Yu-kui; Luo, Yun-bo; Huang, Kun-lun; Wang, Wei-min; Zhang, Lu-da

    2005-10-01

    With the rapid development of the GMO, more and more GMO food has been pouring into the market. Much attention has been paid to GMO labeling under the controversy of GMO safety. Transgenic corns and their parents were scanned by continuous wave of near infrared diffuse reflectance spectroscopy range of 12000-4000 cm(-1); the resolution was 4 cm(-1); scanning was carried out for 64 times; BP algorithm was applied for data processing. The GMO food was easily resolved. Near-infrared diffuse reflectance spectroscopy is unpolluted and inexpensive compared with PCR and ELISA, so it is a very promising detection method for GMO food.

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

    SciTech Connect

    Yu, S.-W.; Tobin, J. G.; Chung, B. W.

    2011-01-01

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

  15. Multidimensional Time-Resolved Spectroscopy of Vibrational Coherence in Biopolyenes

    NASA Astrophysics Data System (ADS)

    Buckup, Tiago; Motzkus, Marcus

    2014-04-01

    Multidimensional femtosecond time-resolved vibrational coherence spectroscopy allows one to investigate the evolution of vibrational coherence in electronic excited states. Methods such as pump-degenerate four-wave mixing and pump-impulsive vibrational spectroscopy combine an initial ultrashort laser pulse with a nonlinear probing sequence to reinduce vibrational coherence exclusively in the excited states. By carefully exploiting specific electronic resonances, one can detect vibrational coherence from 0 cm-1 to over 2,000 cm-1 and map its evolution. This review focuses on the observation and mapping of high-frequency vibrational coherence for all-trans biological polyenes such as β-carotene, lycopene, retinal, and retinal Schiff base. We discuss the role of molecular symmetry in vibrational coherence activity in the S1 electronic state and the interplay of coupling between electronic states and vibrational coherence.

  16. Examining Electron-Boson Coupling Using Time-Resolved Spectroscopy

    SciTech Connect

    Sentef, Michael; Kemper, Alexander F.; Moritz, Brian; Freericks, James K.; Shen, Zhi-Xun; Devereaux, Thomas P.

    2013-12-26

    Nonequilibrium pump-probe time-domain spectroscopies can become an important tool to disentangle degrees of freedom whose coupling leads to broad structures in the frequency domain. Here, using the time-resolved solution of a model photoexcited electron-phonon system, we show that the relaxational dynamics are directly governed by the equilibrium self-energy so that the phonon frequency sets a window for “slow” versus “fast” recovery. The overall temporal structure of this relaxation spectroscopy allows for a reliable and quantitative extraction of the electron-phonon coupling strength without requiring an effective temperature model or making strong assumptions about the underlying bare electronic band dispersion.

  17. Momentum-resolved spectroscopy of a Fermi liquid

    PubMed Central

    Doggen, Elmer V. H.; Kinnunen, Jami J.

    2015-01-01

    We consider a recent momentum-resolved radio-frequency spectroscopy experiment, in which Fermi liquid properties of a strongly interacting atomic Fermi gas were studied. Here we show that by extending the Brueckner-Goldstone model, we can formulate a theory that goes beyond basic mean-field theories and that can be used for studying spectroscopies of dilute atomic gases in the strongly interacting regime. The model hosts well-defined quasiparticles and works across a wide range of temperatures and interaction strengths. The theory provides excellent qualitative agreement with the experiment. Comparing the predictions of the present theory with the mean-field Bardeen-Cooper-Schrieffer theory yields insights into the role of pair correlations, Tan's contact, and the Hartree mean-field energy shift. PMID:25941948

  18. Application of supercontinuum radiation for mid-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Kilgus, Jakob; Müller, Petra; Moselund, Peter M.; Brandstetter, Markus

    2016-04-01

    The emergence of new laser-based mid-infrared (MIR) sources, such as quantum cascade lasers (QCL), led to substantial developments in the field of MIR spectroscopy in the last decade. Recently, also MIR supercontinuum (SC) sources became available. They combine broadband spectral emission known from thermal sources emission with coherent properties known from laser sources like QCLs. Nevertheless, while the latter already find practical application in the field of optical sensing, SC sources have yet to prove their applicability. In this contribution we present the development, characterization and application of a measurement concept consisting of a fiber-coupled broadband MIR SC source (1.75 μm-4.2 μm, 75 mW optical power) and a fully-integrated MOEMS-based Fabry-Pérot microspectrometer (FPMS) for MIR spectroscopy. The main hindrance for the use of SC sources in spectroscopy so far, are the significant pulse-to-pulse fluctuations arising from the non-linear nature of the SC generation process. We show to what extent spectral averaging makes sense and evaluate the noise performance. By combining a SC source and a FPMS it was possible to significantly reduce noise in spectral, time and polarization domain, resulting in a set-up suitable for MIR spectroscopy. The performance of the set-up was characterized both in transmission and reflection geometry. Low-noise absorption spectra of oils, polymers and aqueous solutions of acetic acid were acquired . Furthermore, time-resolved measurements of the curing process of ethyl-2-cyanoacrylate and results of the chemical mapping of a painted metal surface are reported. The obtained results prove the concept of SC-FPMS promising for MIR spectroscopy, characterized by its simplicity and versatility.

  19. Stacking-Dependent Electronic Structure of Trilayer Graphene Resolved by Nanospot Angle-Resolved Photoemission Spectroscopy.

    PubMed

    Bao, Changhua; Yao, Wei; Wang, Eryin; Chen, Chaoyu; Avila, José; Asensio, Maria C; Zhou, Shuyun

    2017-03-08

    The crystallographic stacking order in multilayer graphene plays an important role in determining its electronic structure. In trilayer graphene, rhombohedral stacking (ABC) is particularly intriguing, exhibiting a flat band with an electric-field tunable band gap. Such electronic structure is distinct from simple hexagonal stacking (AAA) or typical Bernal stacking (ABA) and is promising for nanoscale electronics and optoelectronics applications. So far clean experimental electronic spectra on the first two stackings are missing because the samples are usually too small in size (μm or nm scale) to be resolved by conventional angle-resolved photoemission spectroscopy (ARPES). Here, by using ARPES with a nanospot beam size (NanoARPES), we provide direct experimental evidence for the coexistence of three different stackings of trilayer graphene and reveal their distinctive electronic structures directly. By fitting the experimental data, we provide important experimental band parameters for describing the electronic structure of trilayer graphene with different stackings.

  20. Temporally resolved infrared spectra from the detonation of advanced munitions

    NASA Astrophysics Data System (ADS)

    Gordon, Joe Motos; Gross, Kevin C.; Perram, Glen P.

    2009-05-01

    A suite of instruments including a 100 kHz 4-channel radiometer, a rapid scanning Fourier-transform infrared spectrometer, and two high-speed visible imagers was used to observe the detonation of several novel insensitive munitions being developed by the Air Force Research Laboratory. The spectral signatures exhibited from several different explosive compositions are discernable and may be exploited for event classification. The spectra are initially optically thick, resembling a Planckian distribution. In time, selective emission in the wings of atmospheric absorption bands becomes apparent, and the timescale and degree to which this occurs is correlated with aluminum content in the explosive formulation. By analyzing the high-speed imagery in conjunction with the time-resolved spectral measurements, it may be possible to interpret these results in terms of soot production and oxidation rates. These variables allow for an investigation into the chemical kinetics of explosions and perhaps reveal other phenomenology not yet readily apparent. With an increased phenomenological understanding, a model could be created to explain the kinetic behavior of the temperature and by-product concentration profiles and thus improve the ability of military sensing platforms to identify explosive types and sources.

  1. Fluorescence Instrument Response Standards in Two-Photon Time-Resolved Spectroscopy

    PubMed Central

    LUCHOWSKI, RAFAL; SZABELSKI, MARIUSZ; SARKAR, PABAK; APICELLA, ELISA; MIDDE, KRISHNA; RAUT, SANGRAM; BOREJDO, JULIAN; GRYCZYNSKI, ZYGMUNT; GRYCZYNSKI, IGNACY

    2011-01-01

    We studied the fluorescence properties of several potential picosecond lifetime standards suitable for two-photon excitation from a Ti : sapphire femtosecond laser. The fluorescence emission of the selected fluorophores (rose bengal, pyridine 1, and LDS 798) covered the visible to near-infrared wavelength range from 550 to 850 nm. We suggest that these compounds can be used to measure the appropriate instrument response functions needed for accurate deconvolution of fluorescence lifetime data. Lifetime measurements with multiphoton excitation that use scatterers as a reference may fail to properly resolve fluorescence intensity decays. This is because of the different sensitivities of photodetectors in different spectral regions. Also, detectors often lose sensitivity in the near-infrared region. We demonstrate that the proposed references allow a proper reconvolution of measured lifetimes. We believe that picosecond lifetime standards for two-photon excitation will find broad applications in multiphoton spectroscopy and in fluorescence lifetime imaging microscopy (FLIM). PMID:20719056

  2. Rotationally resolved IR spectroscopy of hexamethylenetetramine (HMT) C6N4H12

    NASA Astrophysics Data System (ADS)

    Pirali, O.; Boudon, V.; Carrasco, N.; Dartois, E.

    2014-01-01

    Context. Hexamethylenetetramine (HMT) appears to be a potential constituent of several objects in space, including comets or Titan's atmosphere and, as an organic residue of ice irradiation in the laboratory, it may be present in the interstellar medium. Aims: We performed a laboratory study of rotationally resolved intense IR bands of HMT to provide accurate line positions and synthetic spectra to be used for potential astronomical detections. Methods: We used synchrotron-based high-resolution Fourier transform infrared spectroscopy to record the experimental data. A formalism and programs dedicated to the assignment, analysis, and simulation of absorption spectra of tetrahedral molecules were used to exploit the spectra. Results: Infrared spectra of gas phase HMT were recorded and accurate wavenumbers and molecular parameters for four intense bands located in the 1000-1500 cm-1 spectral range suitable for astronomical searches were derived.

  3. ULTRAFAST CHEMISTRY: Using Time-Resolved Vibrational Spectroscopy for Interrogation of Structural Dynamics

    NASA Astrophysics Data System (ADS)

    Nibbering, Erik T. J.; Fidder, Henk; Pines, Ehud

    2005-05-01

    Time-resolved infrared (IR) and Raman spectroscopy elucidates molecular structure evolution during ultrafast chemical reactions. Following vibrational marker modes in real time provides direct insight into the structural dynamics, as is evidenced in studies on intramolecular hydrogen transfer, bimolecular proton transfer, electron transfer, hydrogen bonding during solvation dynamics, bond fission in organometallic compounds and heme proteins, cis-trans isomerization in retinal proteins, and transformations in photochromic switch pairs. Femtosecond IR spectroscopy monitors the site-specific interactions in hydrogen bonds. Conversion between excited electronic states can be followed for intramolecular electron transfer by inspection of the fingerprint IR- or Raman-active vibrations in conjunction with quantum chemical calculations. Excess internal vibrational energy, generated either by optical excitation or by internal conversion from the electronic excited state to the ground state, is observable through transient frequency shifts of IR-active vibrations and through nonequilibrium populations as deduced by Raman resonances.

  4. Development of nanosecond time-resolved infrared detection at the LEAF pulse radiolysis facility

    SciTech Connect

    Grills, David C.; Farrington, Jaime A.; Layne, Bobby H.; Preses, Jack M.; Bernstein, Herbert J.; Wishart, James F.

    2015-04-27

    When coupled with transient absorption spectroscopy, pulse radiolysis, which utilizes high-energy electron pulses from an accelerator, is a powerful tool for investigating the kinetics and thermodynamics of a wide range of radiation-induced redox and electron transfer processes. The majority of these investigations detect transient species in the UV, visible, or near-IR spectral regions. Unfortunately, the often-broad and featureless absorption bands in these regions can make the definitive identification of intermediates difficult. Time-resolved vibrational spectroscopy would offer much improved structural characterization, but has received only limited application in pulse radiolysis. In this paper, we describe in detail the development of a unique nanosecond time-resolved infrared (TRIR) detection capability for condensed-phase pulse radiolysis on a new beam line at the LEAF facility of Brookhaven National Laboratory. The system makes use of a suite of high-power, continuous wave external-cavity quantum cascade lasers as the IR probe source, with coverage from 2330-1051 cm⁻¹. The response time of the TRIR detection setup is ~40 ns, with a typical sensitivity of ~100 µOD after 4-8 signal averages using a dual-beam probe/reference normalization detection scheme. As a result, this new detection method has enabled mechanistic investigations of a range of radiation-induced chemical processes, some of which are highlighted here.

  5. Development of nanosecond time-resolved infrared detection at the LEAF pulse radiolysis facility

    SciTech Connect

    Grills, David C. Farrington, Jaime A.; Layne, Bobby H.; Preses, Jack M.; Wishart, James F.; Bernstein, Herbert J.

    2015-04-15

    When coupled with transient absorption spectroscopy, pulse radiolysis, which utilizes high-energy electron pulses from an accelerator, is a powerful tool for investigating the kinetics and thermodynamics of a wide range of radiation-induced redox and electron transfer processes. The majority of these investigations detect transient species in the UV, visible, or near-IR spectral regions. Unfortunately, the often-broad and featureless absorption bands in these regions can make the definitive identification of intermediates difficult. Time-resolved vibrational spectroscopy would offer much improved structural characterization, but has received only limited application in pulse radiolysis. In this paper, we describe in detail the development of a unique nanosecond time-resolved infrared (TRIR) detection capability for condensed-phase pulse radiolysis on a new beam line at the LEAF facility of Brookhaven National Laboratory. The system makes use of a suite of high-power, continuous wave external-cavity quantum cascade lasers as the IR probe source, with coverage from 2330 to 1051 cm{sup −1}. The response time of the TRIR detection setup is ∼40 ns, with a typical sensitivity of ∼100 μOD after 4-8 signal averages using a dual-beam probe/reference normalization detection scheme. This new detection method has enabled mechanistic investigations of a range of radiation-induced chemical processes, some of which are highlighted here.

  6. Development of nanosecond time-resolved infrared detection at the LEAF pulse radiolysis facility.

    PubMed

    Grills, David C; Farrington, Jaime A; Layne, Bobby H; Preses, Jack M; Bernstein, Herbert J; Wishart, James F

    2015-04-01

    When coupled with transient absorption spectroscopy, pulse radiolysis, which utilizes high-energy electron pulses from an accelerator, is a powerful tool for investigating the kinetics and thermodynamics of a wide range of radiation-induced redox and electron transfer processes. The majority of these investigations detect transient species in the UV, visible, or near-IR spectral regions. Unfortunately, the often-broad and featureless absorption bands in these regions can make the definitive identification of intermediates difficult. Time-resolved vibrational spectroscopy would offer much improved structural characterization, but has received only limited application in pulse radiolysis. In this paper, we describe in detail the development of a unique nanosecond time-resolved infrared (TRIR) detection capability for condensed-phase pulse radiolysis on a new beam line at the LEAF facility of Brookhaven National Laboratory. The system makes use of a suite of high-power, continuous wave external-cavity quantum cascade lasers as the IR probe source, with coverage from 2330 to 1051 cm(-1). The response time of the TRIR detection setup is ∼40 ns, with a typical sensitivity of ∼100 μOD after 4-8 signal averages using a dual-beam probe/reference normalization detection scheme. This new detection method has enabled mechanistic investigations of a range of radiation-induced chemical processes, some of which are highlighted here.

  7. Development of nanosecond time-resolved infrared detection at the LEAF pulse radiolysis facility

    DOE PAGES

    Grills, David C.; Farrington, Jaime A.; Layne, Bobby H.; ...

    2015-04-27

    When coupled with transient absorption spectroscopy, pulse radiolysis, which utilizes high-energy electron pulses from an accelerator, is a powerful tool for investigating the kinetics and thermodynamics of a wide range of radiation-induced redox and electron transfer processes. The majority of these investigations detect transient species in the UV, visible, or near-IR spectral regions. Unfortunately, the often-broad and featureless absorption bands in these regions can make the definitive identification of intermediates difficult. Time-resolved vibrational spectroscopy would offer much improved structural characterization, but has received only limited application in pulse radiolysis. In this paper, we describe in detail the development of amore » unique nanosecond time-resolved infrared (TRIR) detection capability for condensed-phase pulse radiolysis on a new beam line at the LEAF facility of Brookhaven National Laboratory. The system makes use of a suite of high-power, continuous wave external-cavity quantum cascade lasers as the IR probe source, with coverage from 2330-1051 cm⁻¹. The response time of the TRIR detection setup is ~40 ns, with a typical sensitivity of ~100 µOD after 4-8 signal averages using a dual-beam probe/reference normalization detection scheme. As a result, this new detection method has enabled mechanistic investigations of a range of radiation-induced chemical processes, some of which are highlighted here.« less

  8. Bioprocess monitoring using near-infrared spectroscopy.

    PubMed

    Suehara, Ken-ichiro; Yano, Takuo

    2004-01-01

    Near-infrared spectroscopy (NIR) is a nondestructive analytical technique that has been used for simultaneous prediction of the concentrations of several substrates, products and constructs in mixtures sampled from fermentation processes. In this chapter, we discuss applications of NIR for the monitoring of bioprocesses involving rice vinegar, compost, glycolipid, L-glutamic acid, lactic acid fermentation, mushroom cultivation, and Koji production. This includes detailed discussion of applications of NIR to process management of rice vinegar fermentation and compost fermentation. In the present study, absorbance at wavelengths between 400 and 2500 nm was measured at 2 nm intervals. To obtain calibration equations, multiple linear regression (MLR) was performed on NIR spectral data and conventional analysis values of a calibration sample set. To validate these calibration equations, they were used to calculate concentrations of a prediction sample set, which were then compared with concentrations measured by conventional methods. There was excellent agreement between the results of the conventional method and those of the NIR method, when both were used to analyze culture broth of rice vinegar fermentation and solid-state fermented compost. These results indicate that NIR is a useful method for monitoring and control of bioprocesses.

  9. Infrared spectroscopy of anionic hydrated fluorobenzenes

    NASA Astrophysics Data System (ADS)

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

    2007-09-01

    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 C6F6-•H2O, 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.

  10. Infrared Spectroscopy of SN 1987A

    NASA Astrophysics Data System (ADS)

    Polomski, Elisha; Gehrz, Robert; Sugerman, Ben; Wooden, Diane; Woodward, Charles

    2005-06-01

    We propose to conduct deep spectroscopic observations of SN 1987A with the IRS instrument on the Spitzer Space Telescope. Supernova 1987A in the Large Magellanic Cloud was the brightest and nearest supernova in almost 400 years and has been intensely scrutinized with both ground and space-based observatories (for a review see Arnett et al. 1989; Sugerman et al. 2005). Since its outburst the remnant has faded significantly and no infrared spectroscopy (with the exception of our Spitzer GTO observations), and only limited IR photometry has been possible since day 2000 (Bouchet et al. 2004; Wooden et al. 1993; Dwek et al. 1992). We will focus our study on determining the dust mass and mineralogy as well as the physical state and composition of the circumstellar material and the ejecta. These observations will provide insight into the abundances of heavy elements in Type II SN ejecta and the relative importance of SN for the production of dust. The spectral evolution of the SN 1987A was studied until 1990, when it became too faint for all IR instrumentation. Our observations will be an important contribution to nearly 20 years of temporal monitoring of this object.

  11. Femtosecond Time-Resolved Infrared Spectra of Organometallic Complexes Bound to a Dinuclear Metal Center

    NASA Astrophysics Data System (ADS)

    Brown-Xu, Samantha E.; Durr, Christopher B.

    2012-06-01

    Compounds of the form M2L2L'2, where M2 is a quadruply bonded metal center (M = Mo or W) and L and L' are conjugated organic ligands, are known to show interesting photophysical properties and exhibit intense metal-to-ligand charge transfer (MLCT) transitions throughout the visible spectrum. Recently, we have modified one of the ligands to incorporate a transition metal carbonyl complex bound to an organic moiety. Following excitation into the MLCT band, the vibrational modes of the organometallic ligand can be observed by fs time-resolved infrared (TRIR) spectroscopy. This allows for a visualization of where the electron density resides in the excited states, which provides useful information for designing new materials that could later be incorporated into solar devices.

  12. Time-resolved near-infrared spectroscopic study of the dissolution of crystalline lactose.

    PubMed

    Hattori, Yusuke; Otsuka, Makoto

    2012-12-18

    In the present study, initial dissolution of crystalline α-lactose monohydrate was investigated via time-resolved Fourier Transform near-infrared (FT-NIR) spectroscopy using the liquid penetration method. The process of water penetration is classically characterized by a two-step increment in the combination bands between OH stretching and bending modes of water; however, only one-step increment in the combination bands was induced by penetration of lactose saturated solution. These results suggest that a first phase occurs in which penetrating water adsorbs to solid lactose surface creating a saturated layer, followed by a second phase of dissolution of the hydrated lactose. Decomposition of differential spectra at 2-min intervals supports the existence of an adsorption-diffusion model and gives a threshold as the amount of adsorbed water to dissolve solid lactose. Copyright © 2012 Elsevier B.V. All rights reserved.

  13. Fourier Transform Infrared Spectroscopy and Photoacoustic Spectroscopy for Saliva Analysis.

    PubMed

    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.

  14. PAH Infrared Spectroscopy in the JWST Era

    NASA Astrophysics Data System (ADS)

    Ricca, Alesandra

    The extraordinary infrared instruments on the James Webb Space Telescope (JWST) will transform the field of cosmic spectroscopy. We propose to supply the astronomical community with theoretical and experimental spectra of a wide range of Polycyclic Aromatic Hydrocarbons (PAHs) and PAH clusters and to use our IR absorption spectra to calculate emission spectra that will be crucial in interpreting the new observational data. The Infrared Space Observatory and Spitzer Space Telescopes have shown that the midIR emission spectrum of the interstellar medium is dominated by strong bands at 3.3, 6.2, 7.7, 8.6, 11.3 and 12.7 microns superimposed upon broad underlying plateaus generally attributed to PAHs, PAH clusters and very small grains. Despite the limited spectral and spatial resolution of these data, detailed analysis has revealed that each band is, in fact, a blend of multiple emission features. Subtle variations in the band blending can be detected even for spectra measured at different positions within a single astronomical source. These variations can be seen to arise from multiple PAH and PAH-related carriers that are each responding differently to the local physical conditions. The James Webb Space Telescope has near-IR and mid-IR instruments, NIRSpec and MIRI, with an extremely high spectral resolution, spatial resolution, and sensitivity that will revolutionize infrared astronomy. These instruments will provide spatial maps on a subarcsecond scale with an unprecedented level of spectral detail, allowing detailed study of the interrelationship of the individual components within each emission band. This will provide a critical insight into the molecular characteristics of the emitting species and their (photo)chemical evolution in space. Exploitation of these astronomical spectra requires fundamental data on potential emitting species that fully account for all astrophysically relevant materials. Over the last two decades, spectra of neutral and charged PAHs

  15. Trace water vapor determination in corrosive gases by infrared spectroscopy

    SciTech Connect

    Stallard, B.R.; Rowe, R.K.; Garcia, M.J.; Haaland, D.M.; Espinoza, L.H.; Niemczyk, T.M.

    1993-12-01

    To extend the life of gas delivery systems and improve wafer yields, there is a need for an in-line monitor of H{sub 2}O contamination. Goal of this project is to develop such an instrument, based on infrared spectroscopy, that has a detection limit of 30 ppB or better and costs $50K or less. This year`s work considered the application of Fourier transform infrared (FTIR) spectroscopy to H{sub 2}O detection in N{sub 2} and HCl. Using a modified commercial FTIR spectrometer and a long-path gas cell, a detection limit of about 10 ppB was demonstrated for H{sub 2}O in N{sub 2} and HCl. This includes about a factor of three improvement achieved by applying quantitative multivariate calibration methods to the problem. Absolute calibration of the instrument was established from absorptivities of prominent H{sub 2}O bands between 3600 and 3910 cm{sup {minus}1}. Methods are described to minimize background moisture in the beam path. Spectral region, detector type, resolution, cell type, and path length were optimized. Resolving the narrow H{sub 2}O bands (FWHM {approx} 0.20 cm{sup {minus}1}) is not necessary to achieve optimal sensitivity. In fact, optimal sensitivity is achieved at 2 to 4 cm{sup {minus}1} resolution, allowing the use of an inexpensive interferometer. A much smaller, second generation instrument is described that will have a conservatively estimated detection limit of 1 ppB. Since the present laboratory instrument can be duplicated in its essential parts for about $90K, it is realistic to project a cost of $50K for the new instrument. An accessory for existing FTIR spectrometers was designed that may be marketed for as little as $10K.

  16. Nonselective and polarization effects in time-resolved optogalvanic spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhechev, D.; Steflekova, V.

    2016-02-01

    Three interfering effects in optogalvanic (OG) spectroscopy are identified in a hollow cathode discharge (HCD) - OG detector. The laser beam is found to generate two nonselective processes, namely photoelectron emission (PE) from the cathode surface with a sub-breakdown bias applied, and nonresonant space ionization. The convolution of these galvanic contributions was determined experimentally as an instrumental function and a deconvolution procedure to determine the actual OG signal was developed. Specific plasma conductance is detected dependent on the polarization of the laser beam irradiating. Linearly/circularly polarized light beam is found to induce OG signals differ in amplitude (and their shape parameters in the time-resolved OG signals (TROGS)). The phenomena coherence and specific conductance are found to be in causal relationship. The additional conductance due to coherent states of atoms manifests itself as an intrinsic instrumental property of OG detector.

  17. Time-resolved, dual heterodyne phase collection transient grating spectroscopy

    NASA Astrophysics Data System (ADS)

    Dennett, Cody A.; Short, Michael P.

    2017-05-01

    The application of optical heterodyne detection for transient grating spectroscopy (TGS) using a fixed, binary phase mask often relies on taking the difference between signals captured at multiple heterodyne phases. To date, this has been accomplished by manually controlling the heterodyne phase between measurements with an optical flat. In this letter, an optical configuration is presented which allows for collection of TGS measurements at two heterodyne phases concurrently through the use of two independently phase controlled interrogation paths. This arrangement allows for complete, heterodyne amplified TGS measurements to be made in a manner not constrained by a mechanical actuation time. Measurements are instead constrained only by the desired signal-to-noise ratio. A temporal resolution of between 1 and 10 s, demonstrated here on single crystal metallic samples, will allow TGS experiments to be used as an in-situ, time-resolved monitoring technique for many material processing applications.

  18. Raman and infrared spectroscopy of selected vanadates.

    PubMed

    Frost, Ray L; Erickson, Kristy L; Weier, Matt L; Carmody, Onuma

    2005-03-01

    Raman and infrared spectroscopy has been used to study the structure of selected vanadates including pascoite, huemulite, barnesite, hewettite, metahewettite, hummerite. Pascoite, rauvite and huemulite are examples of simple salts involving the decavanadates anion (V10O28)6-. Decavanadate consists of four distinct VO6 units which are reflected in Raman bands at the higher wavenumbers. The Raman spectra of these minerals are characterised by two intense bands at 991 and 965 cm(-1). Four pascoite Raman bands are observed at 991, 965, 958 and 905 cm(-1) and originate from four distinct VO6 sites. The other minerals namely barnesite, hewettite, metahewettite and hummerite have similar layered structures to the decavanadates but are based upon (V5O14)3- units. Barnesite is characterised by a single Raman band at 1010 cm(-1), whilst hummerite has Raman bands at 999 and 962 cm(-1). The absence of four distinct bands indicates the overlap of the vibrational modes from two of the VO6 sites. Metarossite is characterised by a strong band at 953 cm(-1). These bands are assigned to nu1 symmetric stretching modes of (V6O16)2- units and terminal VO3 units. In the infrared spectra of these minerals, bands are observed in the 837-860 cm(-1) and in the 803-833 cm(-1) region. In some of the Raman spectra bands are observed for pascoite, hummerite and metahewettite in similar positions. These bands are assigned to nu3 antisymmetric stretching of (V10O28)6- units or (V5O14)3- units. Because of the complexity of the spectra in the low wavenumber region assignment of bands is difficult. Bands are observed in the 404-458 cm(-1) region and are assigned to the nu2 bending modes of (V10O28)6- units or (V5O14)3- units. Raman bands are observed in the 530-620 cm(-1) region and are assigned to the nu4 bending modes of (V10O28)6- units or (V5O14)3- units. The Raman spectra of the vanadates in the low wavenumber region are complex with multiple overlapping bands which are probably due to VO

  19. Raman and infrared spectroscopy of selected vanadates

    NASA Astrophysics Data System (ADS)

    Frost, Ray L.; Erickson, Kristy L.; Weier, Matt L.; Carmody, Onuma

    2005-03-01

    Raman and infrared spectroscopy has been used to study the structure of selected vanadates including pascoite, huemulite, barnesite, hewettite, metahewettite, hummerite. Pascoite, rauvite and huemulite are examples of simple salts involving the decavanadates anion (V 10O 28) 6-. Decavanadate consists of four distinct VO 6 units which are reflected in Raman bands at the higher wavenumbers. The Raman spectra of these minerals are characterised by two intense bands at 991 and 965 cm -1. Four pascoite Raman bands are observed at 991, 965, 958 and 905 cm -1 and originate from four distinct VO 6 sites. The other minerals namely barnesite, hewettite, metahewettite and hummerite have similar layered structures to the decavanadates but are based upon (V 5O 14) 3- units. Barnesite is characterised by a single Raman band at 1010 cm -1, whilst hummerite has Raman bands at 999 and 962 cm -1. The absence of four distinct bands indicates the overlap of the vibrational modes from two of the VO 6 sites. Metarossite is characterised by a strong band at 953 cm -1. These bands are assigned to ν1 symmetric stretching modes of (V 6O 16) 2- units and terminal VO 3 units. In the infrared spectra of these minerals, bands are observed in the 837-860 cm -1 and in the 803-833 cm -1 region. In some of the Raman spectra bands are observed for pascoite, hummerite and metahewettite in similar positions. These bands are assigned to ν 3 antisymmetric stretching of (V 10O 28) 6- units or (V 5O 14) 3- units. Because of the complexity of the spectra in the low wavenumber region assignment of bands is difficult. Bands are observed in the 404-458 cm -1 region and are assigned to the ν2 bending modes of (V 10O 28) 6- units or (V 5O 14) 3- units. Raman bands are observed in the 530-620 cm -1 region and are assigned to the ν4 bending modes of (V 10O 28) 6- units or (V 5O 14) 3- units. The Raman spectra of the vanadates in the low wavenumber region are complex with multiple overlapping bands which are

  20. Ultrafast two dimensional infrared chemical exchange spectroscopy

    NASA Astrophysics Data System (ADS)

    Fayer, Michael

    2011-03-01

    The method of ultrafast two dimensional infrared (2D IR) vibrational echo spectroscopy is described. Three ultrashort IR pulses tuned to the frequencies of the vibrational transitions of interest are directed into the sample. The interaction of these pulses with the molecular vibrational oscillators produces a polarization that gives rise to a fourth pulse, the vibrational echo. The vibrational echo pulse is combined with another pulse, the local oscillator, for heterodyne detection of the signal. For fixed time between the second and third pulses, the waiting time, the first pulse is scanned. Two Fourier transforms of the data yield a 2D IR spectrum. The waiting time is increased, and another spectrum is obtained. The change in the 2D IR spectra with increased waiting time provides information on the time evolution of the structure of the molecular system under observation. In a 2D IR chemical exchange experiment, two species A and B, are undergoing chemical exchange. A's are turning into B's, and B's are turning into A's, but the overall concentrations of the species are not changing. The kinetics of the chemical exchange on the ground electronic state under thermal equilibrium conditions can be obtained 2D IR spectroscopy. A vibration that has a different frequency for the two species is monitored. At very short time, there will be two peaks on the diagonal of the 2D IR spectrum, one for A and one for B. As the waiting time is increased, chemical exchange causes off-diagonal peaks to grow in. The time dependence of the growth of these off-diagonal peaks gives the chemical exchange rate. The method is applied to organic solute-solvent complex formation, orientational isomerization about a carbon-carbon single bond, migration of a hydrogen bond from one position on a molecule to another, protein structural substate interconversion, and water hydrogen bond switching between ions and water molecules. This work was supported by the Air Force Office of Scientific

  1. Complete momentum and energy resolved TOF electron spectrometerfor time-resolved photoemission spectroscopy

    SciTech Connect

    Hussain, Zahid; Lebedev, G.; Tremsin, A.; Siegmund, O.; Chen, Y.; Shen, Z.X.; Hussain, Z.

    2007-08-12

    Over the last decade, high-resolution Angle-Resolved Photoemission Spectroscopy (ARPES) has emerged as a tool of choice for studying the electronic structure of solids, in particular, strongly correlated complex materials such as cuprate superconductors. In this paper we present the design of a novel time-of-flight based electron analyzer with capability of 2D in momentum space (kx and ky) and all energies (calculated from time of flight) in the third dimension. This analyzer will utilize an improved version of a 2D delay linedetector capable of imaging with<35 mm (700x700 pixels) spatial resolution and better than 120 ps FWHM timing resolution. Electron optics concepts and optimization procedure are considered for achieving an energy resolution less than 1 meV and an angular resolution better than 0.11.

  2. Infrared spectroscopy of Jupiter and Saturn

    NASA Technical Reports Server (NTRS)

    Knacke, Roger F.

    1993-01-01

    Infrared spectroscopy provides unique insights into the chemistry and dynamics of the atmospheres of Jupiter, Saturn, and Titan. In 1991 we obtained data at J, H, K, and M and made repeated observations of Titan's albedo as the satellite orbited Saturn. The J albedo is 12% +/- 3% greater than the albedo measured in 1979; the H and K albedos are the same. There was no evidence for variations at any wavelength over the eastern half of Titan's orbit. We also obtained low resolution (R=50) spectra of Titan between 3.1 and 5.1 microns. The spectra contain evidence for CO and CH3D absorptions. Spectra of Callisto and Ganymede in the 4.5 micron spectral region are featureless and give albedos of 0.08 and 0.04 respectively. If Titan's atmosphere is transparent near 5 microns, its surface albedo there is similar to Callisto's. In 1992 and 1993 we obtained further spectroscopic data of Titan with the UKIRT CGS4 spectrometer. We discovered two unexpected and unexplained spectral features in the 3-4 micron spectrum of Titan. An apparent emission feature near the 3 micron (nu sub 3) band of methane indicated temperatures higher than known to be present in Titan's upper stratosphere and may be caused by unexpected non-LTE emission. An absorption feature near 3.47 microns may be caused by absorption in solid grains or aerosols in Titan's clouds. The feature is similar but not identical to organics in the interstellar matter and in comets.

  3. Fourier Transform Infrared Spectroscopy of Radicals

    NASA Astrophysics Data System (ADS)

    Rohrs, Henry William

    Radicals occur in many areas of chemistry as they are intermediates in reactions. They arise in combustion processes and several atmospheric phenomena and they have been located in interstellar space. In order to elucidate these areas of chemistry it is important to understand radicals. This is no easy task as these species are short -lived. This work focuses on determining the structure and bonding of these species using experimental measurements. Since it is specifically aimed at gas phase radicals, spectroscopy is the tool of choice for probing the radicals. This work developed a general technique for taking the rotation-vibration spectra of jet-cooled radicals. The work was based in the infrared since the desired structural information can be obtained in this region of the spectrum. The jet-cooling simplifies the enormous task of spectral assignment. A BOMEM FTIR was optically coupled to a supersonic expansion of radicals streaming from a homemade silicon carbide pyrolysis nozzle. This nozzle was heated to wall temperatures of 1500 K. A suitable organic precursor was entrained in an inert carrier gas, usually helium. Conditions were adjusted such that this precursor was nearly completely decomposed to produce high number densities of the radical of choice. The gas flows were adjusted such that the time for recombination and other radical destroying reactions were minimized. The first radical species observed was nitric oxide, NO, made from the pyrolysis of alkyl nitrites. Spectra with rotational temperatures from 20 K to 80 K were observed. This proved the viability of the method. It also demonstrated that fluid dynamics modeling and a separate photoionization mass spectrometry experiment would be invaluable aids in maximizing radical concentrations since the best chance of recording the spectra is when the most radicals are present.

  4. Infrared Spectroscopy of Disilicon-Carbide Si_2C

    NASA Astrophysics Data System (ADS)

    Witsch, Daniel; Lutter, Volker; Fuchs, Guido W.; Gauss, Jürgen; Giesen, Thomas

    2017-06-01

    Small silicon and carbon containing molecules are thought to be important building blocks of interstellar grains. Some of them have been detected in circumstellar environments of late-type stars by means of rotational spectroscopy e.g., SiC, SiC_2, Si_2C, c-SiC_3, SiC_4, while centro-symmetric species, e.g., C_3, C_4, C_5, Si_2C_2, Si_2C_3, can only be detected by vibrational transitions, mainly in the infrared. In view of a new generation of high resolution infrared telescope instruments, e.g., EXES (Echelon-Cross-Echelle Spectrograph) onboard SOFIA (Observatory for Infrared Astronomy) and TEXES (Texas Echelon Cross Echelle Spectrograph) at the Gemini-North observatory, accurate laboratory data of small silicon-carbides in the infrared region are of high demand. In this talk we present first laboratory data of the Si_2C asymmetric stretching mode at 1200 cm^{-1}. A pulsed Nd:YAG-laser is used to vaporize a solid target of silicon exposed to a dilute sample of methane in helium buffer gas. Si_2C is formed in an adiabatic expansion of a supersonic jet and radiation of a quantum cascade laser is used to record rotationally resolved spectra. To date, 160 ro-vibrational lines and have been assigned to the asymmetric stretching vibration of Si_2C, and derived molecular parameters are in excellent agreement with ab initio calculations. In our global fit analysis recently published microwave laboratory data (McCarthy et al. 2015) and astronomical data (Cernicharo et al. 2015) were taken into account. Our new results allow for the identification of Si_2C by means of high resolution infrared astronomy towards the warm background of carbon-rich stars. McCarthy M.C., Baraban J.H., Changala P.B., Stanton J.F., Martin-Drumel M.A, Thorwirth S., et al., J. Chem. Phys. Lett. 6, 2107-2111 (2015). Cernicharo J., McCarthy M.C., Gottlieb C.A., Agundez M., Velilla Prieto L., Baraban J.H., et al. Astrophys. J. Lett. 806,L3 (2015).

  5. RESOLVED NEAR-INFRARED STELLAR POPULATIONS IN NEARBY GALAXIES

    SciTech Connect

    Dalcanton, Julianne J.; Williams, Benjamin F.; Rosenfield, Philip A.; Gilbert, Karoline E-mail: ben@astro.washington.edu E-mail: kgilbert@astro.washington.edu; and others

    2012-01-01

    We present near-infrared (NIR) color-magnitude diagrams (CMDs) for the resolved stellar populations within 26 fields of 23 nearby galaxies ({approx}< 4 Mpc), based on images in the F110W and F160W filters taken with the Wide-Field Camera 3 (WFC3) on the Hubble Space Telescope (HST). The CMDs are measured in regions spanning a wide range of star formation histories, including both old dormant and young star-forming populations. We match key NIR CMD features with their counterparts in more familiar optical CMDs, and identify the red core helium-burning (RHeB) sequence as a significant contributor to the NIR flux in stellar populations younger than a few 100 Myr old. The strength of this feature suggests that the NIR mass-to-light ratio can vary significantly on short timescales in star-forming systems. The NIR luminosity of star-forming galaxies is therefore not necessarily proportional to the stellar mass. We note that these individual RHeB stars may also be misidentified as old stellar clusters in images of nearby galaxies. For older stellar populations, we discuss the CMD location of asymptotic giant branch (AGB) stars in the HST filter set and explore the separation of AGB subpopulations using a combination of optical and NIR colors. We empirically calibrate the magnitude of the NIR tip of the red giant branch in F160W as a function of color, allowing future observations in this widely adopted filter set to be used for distance measurements. We also analyze the properties of the NIR red giant branch (RGB) as a function of metallicity, showing a clear trend between NIR RGB color and metallicity. However, based on the current study, it appears unlikely that the slope of the NIR RGB can be used as an effective metallicity indicator in extragalactic systems with comparable data. Finally, we highlight issues with scattered light in the WFC3, which becomes significant for exposures taken close to a bright Earth limb.

  6. Broadband infrared vibrational nano-spectroscopy using thermal blackbody radiation

    DOE PAGES

    O’Callahan, Brian T.; Lewis, William E.; Möbius, Silke; ...

    2015-12-03

    Infrared vibrational nano-spectroscopy based on scattering scanning near-field optical microscopy (s-SNOM) provides intrinsic chemical specificity with nanometer spatial resolution. Here we use incoherent infrared radiation from a 1400 K thermal blackbody emitter for broadband infrared (IR) nano-spectroscopy.With optimized interferometric heterodyne signal amplification we achieve few-monolayer sensitivity in phonon polariton spectroscopy and attomolar molecular vibrational spectroscopy. Near-field localization and nanoscale spatial resolution is demonstrated in imaging flakes of hexagonal boron nitride (hBN) and determination of its phonon polariton dispersion relation. The signal-to-noise ratio calculations and analysis for different samples and illumination sources provide a reference for irradiance requirements and the attainablemore » near-field signal levels in s-SNOM in general. As a result, the use of a thermal emitter as an IR source thus opens s-SNOM for routine chemical FTIR nano-spectroscopy.« less

  7. Broadband infrared vibrational nano-spectroscopy using thermal blackbody radiation

    SciTech Connect

    O’Callahan, Brian T.; Lewis, William E.; Möbius, Silke; Stanley, Jared C.; Muller, Eric A.; Raschke, Markus B.

    2015-12-03

    Infrared vibrational nano-spectroscopy based on scattering scanning near-field optical microscopy (s-SNOM) provides intrinsic chemical specificity with nanometer spatial resolution. Here we use incoherent infrared radiation from a 1400 K thermal blackbody emitter for broadband infrared (IR) nano-spectroscopy.With optimized interferometric heterodyne signal amplification we achieve few-monolayer sensitivity in phonon polariton spectroscopy and attomolar molecular vibrational spectroscopy. Near-field localization and nanoscale spatial resolution is demonstrated in imaging flakes of hexagonal boron nitride (hBN) and determination of its phonon polariton dispersion relation. The signal-to-noise ratio calculations and analysis for different samples and illumination sources provide a reference for irradiance requirements and the attainable near-field signal levels in s-SNOM in general. As a result, the use of a thermal emitter as an IR source thus opens s-SNOM for routine chemical FTIR nano-spectroscopy.

  8. Fourier transform infrared spectroscopy and near infrared spectroscopy for the quantification of defects in roasted coffees.

    PubMed

    Craig, Ana Paula; Franca, Adriana S; Oliveira, Leandro S; Irudayaraj, Joseph; Ileleji, Klein

    2015-03-01

    The coffee strip-picking harvesting method, preferred in Brazil, results in high percentages of immature and overripe beans, as the fruits in a single tree branch do not reach ripeness at the same time. This practice, together with inappropriate processing and storage conditions, contribute to the production of high amounts of defective coffee beans in Brazil, which upon roasting will impart negative sensory aspects to the beverage. Therefore, the development of analytical methodologies that will enable the discrimination and quantification of defective and non-defective coffees after roasting is rather desirable. Given that infrared spectroscopy has been successfully applied to coffee analysis, the objective of this work was to evaluate and to compare the performances of Fourier transform infrared (FTIR) and near infrared (NIR) spectroscopies for the quantification of defective beans in roasted coffees. Defective and non-defective Arabica coffee beans were manually selected, roasted, ground and sieved. Mixtures of defective and non-defective roasted and ground coffees were produced and analyzed, with % defects ranging from 0% to 30%. FTIR and NIR spectra were recorded, respectively, within a range of 3100-800 cm(-1) and 1200-2400 nm and submitted to mathematical processing. Quantitative models were developed by partial least squares regression (PLSR). Excellent predictive results were obtained indicating that defective coffees could be satisfactorily quantified. The correlation coefficients and the root mean squared errors of validation for the FTIR and NIR models developed to quantify the amount of defective roasted coffees mixed with non-defective ones were, respectively, as high as 0.891 and as low as 0.032, and as high as 0.953 and as low as 0.026. A comparison between the two techniques indicated that NIR provided more robust models.

  9. Ultrafast infrared near-field molecular nano-spectroscopy

    NASA Astrophysics Data System (ADS)

    Xu, Xiaoji; Craig, Ian M.; Rang, Matthias; Raschke, Markus B.

    2013-03-01

    We demonstrate molecular radiative infrared vibrational free-induction decay on the nano-scale and its control via near-field coupling between the transient molecular polarization and optical antenna properties of the metallic scanning near-field probe tip. This allows for pushing the sensitivity of infrared vibrational spectroscopy into the single molecule regime.

  10. Far-infrared spectroscopy of galaxies

    NASA Technical Reports Server (NTRS)

    Stacey, G. J.

    1989-01-01

    Far infrared (FIR) spectral line emission from galaxies is discussed with respect to past, present and near future observations. A review of the importance of the FIR lines as probes of the interstellar medium is presented. The various fine structure emission lines detected from the archetypal starburst galaxy M82, and the (C II) line radiation which is now observed toward a large variety of external galaxies are discussed. The improvements allowed by the advent of the Stratospheric Observatory For Infrared Astronomy (SOFIA), the Infrared Space Observatory (ISO) and the Space Infrared Telescope Facility (SIRTF) are underlined.

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

    ERIC Educational Resources Information Center

    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. IR Cards: Inquiry-Based Introduction to Infrared Spectroscopy

    ERIC Educational Resources Information Center

    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…

  13. Ultrafast dynamics of surface plasmons in InAs by time-resolved infrared nanospectroscopy.

    PubMed

    Wagner, Martin; McLeod, Alexander S; Maddox, Scott J; Fei, Zhe; Liu, Mengkun; Averitt, Richard D; Fogler, Michael M; Bank, Seth R; Keilmann, Fritz; Basov, D N

    2014-08-13

    We report on time-resolved mid-infrared (mid-IR) near-field spectroscopy of the narrow bandgap semiconductor InAs. The dominant effect we observed pertains to the dynamics of photoexcited carriers and associated surface plasmons. A novel combination of pump-probe techniques and near-field nanospectroscopy accesses high momentum plasmons and demonstrates efficient, subpicosecond photomodulation of the surface plasmon dispersion with subsequent tens of picoseconds decay under ambient conditions. The photoinduced change of the probe intensity due to plasmons in InAs is found to exceed that of other mid-IR or near-IR media by 1-2 orders of magnitude. Remarkably, the required control pulse fluence is as low as 60 μJ/cm(2), much smaller than fluences of ∼ 1-10 mJ/cm(2) previously utilized in ultrafast control of near-IR plasmonics. These low excitation densities are easily attained with a standard 1.56 μm fiber laser. Thus, InAs--a common semiconductor with favorable plasmonic properties such as a low effective mass--has the potential to become an important building block of optically controlled plasmonic devices operating at infrared frequencies.

  14. Vibrationally resolved anion photoelectron spectroscopy of metal clusters

    NASA Astrophysics Data System (ADS)

    Miller, Stephen R.

    Vibrationally resolved anion photoelectron spectroscopy of metal clusters Vibrationally resolved anion photoelectron spectroscopy (APES) and density functional theory (DFT) are applied to the study of structure and reactivity in small metal containing molecules. The studies described fall into two general categories: the study of bare metal clusters and the study of metal/organic ligand reactions. The current lack of spectroscopic data for small, bare gas-phase metal compounds makes the experimental study of such compounds important for understanding structure and bonding in open-shell metallic species. The heteronuclear diatomic anions MCu- (M = Cr, Mo) were prepared in a flowing afterglow ion-molecule reactor, and studied experimentally with APES. Anion and neutral vibrational frequencies and MCu electron affinities were obtained for both systems. The experiments were supplemented by DFT calculations. The combined use of experiment and theory allows for the assignment of both photoelectron spectra, including a reassignment of the CrCu ground state reported in the literature. Similarly, DFT was used to assign the anionic/neutral electronic states observed in the photoelectron spectra of Al3- and Al3O-. The study of partially ligated organometallic complexes offers a means of examining the interactions between metal atoms and individual ligand molecules. DFT was used to assign electronic states observed in the photoelectron spectra of NbC2H2-, NbC4H4 -NbC6H6- and VC6H 6-. Comparison of the NbnHn - (n = 2, 4, 6) spectra (obtained through the reaction of C2 H4 and Nb) with DFT results provides the first direct spectroscopic evidence of the conversion of ethylene to benzene by a gas phase metal atom. Experiments were used to probe the reactivity of Y with C2H 4 in an effort to examine the generality of the metal induced C 2H4 dehydrogenation/cyclization reactions. Some of the key products in the Y reactions were YC2H-, YC 2H2-, and YC6H5 -. However, the results

  15. Near infrared spectroscopy of stearic acid adsorbed on montmorillonite.

    PubMed

    Lu, Longfei; Cai, Jingong; Frost, Ray L

    2010-03-01

    The adsorption of stearic acid on both sodium montmorillonites and calcium montmorillonites has been studied by near infrared spectroscopy complimented with infrared spectroscopy. Upon adsorption of stearic acid on Ca-Mt additional near infrared bands are observed at 8236 cm(-1) and is assigned to an interaction of stearic acid with the water of hydration. Upon adsorption of the stearic acid on Na-Mt, the NIR bands are now observed at 5671, 5778, 5848 and 5912 cm(-1) and are assigned to the overtone and combination bands of the CH fundamentals. Additional bands at 4177, 4250, 4324, 4337, 4689 and 4809 cm(-1) are attributed to CH combination bands resulting from the adsorption of the stearic acid. Stearic acid is used as a model molecule for adsorption studies. The application of near infrared spectroscopy to the study of this adsorption proved most useful.

  16. Coherent sources for mid-infrared laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Honzátko, Pavel; Baravets, Yauhen; Mondal, Shyamal; Peterka, Pavel; Todorov, Filip

    2016-12-01

    Mid-infrared laser absorption spectroscopy (LAS) is useful for molecular trace gas concentration measurements in gas mixtures. While the gas chromatography-mass spectrometry is still the gold standard in gas analysis, LAS offers several advantages. It takes tens of minutes for a gas mixture to be separated in the capillary column precluding gas chromatography from real-time control of industrial processes, while LAS can measure the concentration of gas species in seconds. LAS can be used in a wide range of applications such as gas quality screening for regulation, metering and custody transfer,1 purging gas pipes to avoid explosions,1 monitoring combustion processes,2 detection and quantification of gas leaks,3 by-products monitoring to provide feedback for the real-time control of processes in petrochemical industry,4 real-time control of inductively coupled plasma etch reactors,5, 6 and medical diagnostics by means of time-resolved volatile organic compound (VOC) analysis in exhaled breath.7 Apart from the concentration, it also permits us to determine the temperature, pressure, velocity and mass flux of the gas under observation. The selectivity and sensitivity of LAS is linked to a very high spectral resolution given by the linewidth of single-frequency lasers. Measurements are performed at reduced pressure where the collisional and Doppler broadenings are balanced. The sensitivity can be increased to ppb and sometimes to ppt ranges by increasing the interaction length in multi-pass gas cells or resonators and also by adopting modulation techniques.8

  17. Quantification of atmospheric formaldehyde by infrared absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    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. Excited triplet state spectroscopy in the infrared

    NASA Astrophysics Data System (ADS)

    Baiardo, Joseph; Mukherjee, Ranajit; Vala, Martin

    1982-03-01

    A new method for the investigation of the infrared spectra of metastable excitedelectronic states is presented. With a Fourier Transform infrared spectrometer as the probe and a CW Xe lamp source as the pump, the infrared spectrum of the lowest triplet state of triphenylene isolated in a N 2 matrix at 15K has been examined. CH out-of-plane wagging modes are prominent and shifted from their ground state frequencies. It is expected that when fully developed this method will provide important information on excited state force constants and potential energy surfaces.

  19. Muscle oxygenation during exercise under hypoxic conditions assessed by spatially resolved broadband NIR spectroscopy

    NASA Astrophysics Data System (ADS)

    Geraskin, Dmitri; Platen, Petra; Franke, Julia; Andre, Christiane; Bloch, Wilhelm; Kohl-Bareis, Matthias

    2005-08-01

    Near-infrared spectroscopy (NIRS) is used for the non-invasive measurement of muscle oxygenation during an incremental cycle test in healthy volunteers. A broad band spatially resolved system is used that allows the reliability of current algorithms to be inspected with the main emphasis on tissue oxygen saturation (SO2) and oxygenated and deoxygenated haemoglobin concentrations. Physiological conditions were modulated by changing oxygen supply from normal (21 % O2 in inspired air) to conditions corresponding to 2000 and 4000 m altitude above sea level (15.4 and 11.9 % O2). Under these hypoxic conditions the decrease in SO2 with increased exercise power is highly correlated with the oxygen content of the inspired air. There is a clear correlation with physiological parameters (heart rate, pulse oxymetry, blood gas, lactate, spirometric data). Skin oxygenation parameters are compared to those of muscle.

  20. Near gap excitation of a CDW amplitude mode by time-resolved photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Leuenberger, Dominik; Yang, Shuolong; Sobota, Jonathan; Giraldo, Paula; Kirchmann, Patrick; Fisher, Ian; Shen, Zhi-Xun

    2014-03-01

    We present time-, angle- and energy-resolved photoelectron spectroscopy data from the light rear-earth tritelluride compound CeTe3. An in-plane Peierls distortion in the tellurium slabs leads to the formation of an incommensurate Charge Density Wave (CDW), accompanied by a CDW gap at the Fermi level. Ultrafast optical laser excitation and subsequent relaxation by means of electron-phonon coupling can coherently excite a periodic modulation of the CDW band position and the gap size in rear-earth tritellurides. In this work, the use of tuneable near infrared laser pulses allows for optical excitation slightly above and below the measured gap value of 570 meV. The smaller excitation phase space not only leads to cleaner amplitude mode signal but also helps to pin down the optical transitions, which are the driving mechanisms for the transient CDW phase transition. Financial support by the Swiss National Science Foundation is duly acknowledged.

  1. Attosecond time-resolved streaked photoelectron spectroscopy of transition-metal nanospheres

    NASA Astrophysics Data System (ADS)

    Li, Jianxiong; Saydanzad, Erfan; Thumm, Uwe

    2017-04-01

    Streaked photoemission from nanostructured surfaces and nanoparticles by attosecond extreme ultraviolet pulses into an infrared (IR) or visible streaking pulse allows for sub-fs-resolution of the plasmonically enhanced streaking-pulse electric field. It thus holds promise for the time-resolved imaging of the dielectric response in and plasmonic fields near nanostructures. After calculating the plasmonic field induced by IR and visible streaking pulses in 10- to 200-nm diameter Au, Ag, and Cu nanospheres, we numerically simulated streaked photoelectron spectra within a quantum-mechanical model. Our spectra show significant oscillation-amplitude enhancements and phase shifts relative to calculations that neglect the induced plasmonic field. We trace these observable effects to the distinct dielectric properties of the three investigated metals, demonstrating the applicability of streaking spectroscopy to the element-specific investigation of induced time-dependent electric fields near nanoparticle surfaces.

  2. Time-resolved Fourier transform intracavity spectroscopy with a Cr2+:ZnSe laser

    PubMed Central

    Picqué, Nathalie; Gueye, Fatou; Guelachvili, Guy; Sorokin, Evgeni; Sorokina, Irina T.

    2010-01-01

    Intracavity laser absorption spectroscopy (ICLAS) with an evacuated Cr2+: ZnSe laser is performed with a high-resolution time-resolved Fourier transform interferometer with a minimum detectable absorption coefficient equal to 4 10−9 cm−1 Hz−½ in the 2.5μm region. This represents the extreme limit presently reached in the infrared by ICLAS with Doppler limited resolution. The broad gain band of the crystal allows a spectral coverage at most equal to 125 nm, wide enough to see entire vibration bands. Weak CO2 bands observed up to now only in the Venus atmosphere are recorded for the first time in a laboratory. H2O detection limit down to 0.9 ppbv is also demonstrated. PMID:16389848

  3. Spatially resolved Fe K spectroscopy of NGC 4945

    NASA Astrophysics Data System (ADS)

    Marinucci, A.; Bianchi, S.; Fabbiano, G.; Matt, G.; Risaliti, G.; Nardini, E.; Wang, J.

    2017-10-01

    We present the imaging and spectroscopic analysis of the combined Chandra ACIS-S observations of the Compton-thick Seyfert 2 galaxy NGC 4945. We performed a spatially resolved spectroscopy of the circumnuclear environment of the source, picturing the innermost 200 parsecs around the highly absorbed nucleus. The additional 200 ks ACIS-S data with respect to the previous campaign allowed us to map with even greater detail the central structure of this source and to discover an enhanced iron emission in the innermost nuclear region, with respect to the associated Compton reflection continuum. We revealed that the equivalent width of the Fe K α line is spatially variable (ranging from 0.5 to 3 keV), on scales of tens of parsecs, likely due to the ionization state and orientation effects of the reprocessing material, with respect to the central X-ray illuminating source. A clump of highly ionized Fe xxv He α is also detected, 40 parsecs east to the nucleus. When observations taken years apart are considered, the central unresolved reflected emission is found to remain constant.

  4. Temporally resolved plasma spectroscopy for analyzing natural gas components

    NASA Astrophysics Data System (ADS)

    Kobayashi, Kazunobu; Tsumaki, Naomasa; Ito, Tsuyohito

    2016-09-01

    Temporally resolved plasma spectroscopy has been carried out in two different hydrocarbon gas mixtures (CH4/Ar and C2H6/Ar) to explore the possibility of a new gas sensor using plasma emission spectral analysis. In this experiment, a nanosecond-pulsed plasma discharge was applied to observe optical emissions representing the initial molecular structure. It is found that a CH emission intensity in CH4/Ar is higher than that in C2H6/Ar. On the other hand, C2 intensities are almost the same degree between CH4/Ar and C2H6/Ar. This finding indicates that the emission intensity ratio of CH to C2 might be an effective index for a gas analysis. In addition, a time for the highest emission intensities of CH and C2 is several nanoseconds later than that of Ar. This result suggests that spectra from the initial molecular structure may be observed at the early stage of the discharge before molecules are fully dissociated, and this is currently in progress.

  5. Infrared near-field imaging and spectroscopy based on thermal or synchrotron radiation

    SciTech Connect

    Peragut, Florian; De Wilde, Yannick; Brubach, Jean-Blaise; Roy, Pascale

    2014-06-23

    We demonstrate the coupling of a scattering near-field scanning optical microscope combined with a Fourier transform infrared spectrometer. The set-up operates using either the near-field thermal emission from the sample itself, which is proportional to the electromagnetic local density of states, or with an external infrared synchrotron source, which is broadband and highly brilliant. We perform imaging and spectroscopy measurements with sub-wavelength spatial resolution in the mid-infrared range on surfaces made of silicon carbide and gold and demonstrate the capabilities of the two configurations for super-resolved near-field mid-infrared hyperspectral imaging and that the simple use of a properly chosen bandpass filter on the detector allows one to image the spatial distribution of materials with sub-wavelength resolution by studying the contrast in the near-field images.

  6. Infrared and Near-Infrared Spectroscopy of Acetylacetone and Hexafluoroacetylacetone.

    PubMed

    Howard, Daryl L; Kjaergaard, Henrik G; Huang, Jing; Meuwly, Markus

    2015-07-23

    The infrared and near-infrared spectra of acetylacetone, acetylacetone-d8, and hexafluoroacetylacetone are characterized from experiment and computations at different levels. In the fundamental region, the intramolecular hydrogen bonded OH-stretching transition is clearly observed as a very broad band with substantial structure and located at significantly lower frequency compared to common OH-stretching frequencies. There is no clear evidence for OH-stretching overtone transitions in the near-infrared region, which is dominated by the CH-stretching overtones of the methine and methyl CH bonds. From molecular dynamics (MD) simulations, with a potential energy surface previously validated for tunneling splittings, the infrared spectra are determined and used in assigning the experimentally measured ones. It is found that the simulated spectrum in the region associated with the proton transfer mode is exquisitely sensitive to the height of the barrier for proton transfer. Comparison of the experimental and the MD simulated spectra establishes that the barrier height is around 2.5 kcal/mol, which favorably compares with 3.2 kcal/mol obtained from high-level electronic structure calculations.

  7. AKARI NEAR-INFRARED SPECTROSCOPY OF LUMINOUS INFRARED GALAXIES

    SciTech Connect

    Lee, Jong Chul; Lee, Myung Gyoon; Hwang, Ho Seong

    2012-09-01

    We present the AKARI near-infrared (NIR; 2.5-5 {mu}m) spectroscopic study of 36 (ultra)luminous infrared galaxies ((U)LIRGs) at z = 0.01-0.4. We measure the NIR spectral features including the strengths of 3.3 {mu}m polycyclic aromatic hydrocarbon emission and hydrogen recombination lines (Br{alpha} and Br{beta}), optical depths at 3.1 and 3.4 {mu}m, and NIR continuum slope. These spectral features are used to identify optically elusive, buried active galactic nuclei (AGNs). We find that half of the (U)LIRGs optically classified as non-Seyferts show AGN signatures in their NIR spectra. Using a combined sample of (U)LIRGs with NIR spectra in the literature, we measure the contribution of buried AGNs to the infrared luminosity from the spectral energy distribution fitting to the IRAS photometry. The contribution of these buried AGNs to the infrared luminosity is 5%-10%, smaller than the typical AGN contribution of (U)LIRGs including Seyfert galaxies (10%-40%). We show that NIR continuum slopes correlate well with WISE [3.4]-[4.6] colors, which would be useful for identifying a large number of buried AGNs using the WISE data.

  8. Mass resolved resonance ionization spectroscopy of combustion radicals

    SciTech Connect

    Not Available

    1992-06-23

    This report discusses the following topics: REMPI spectroscopy of HCO and DCO; Rempi spectroscopy of the ethynyl radical; REMPI spectroscopy of new electronic states of C{sub 2}; and a flame sampling laser ionization mass spectrometer.

  9. Mass resolved resonance ionization spectroscopy of combustion radicals

    SciTech Connect

    Not Available

    1992-06-23

    This report discusses the following topics: REMPI spectroscopy of HCO and DCO; Rempi spectroscopy of the ethynyl radical; REMPI spectroscopy of new electronic states of C{sub 2}; and a flame sampling laser ionization mass spectrometer.

  10. Quantification of the extracerebral contamination of near infrared spectroscopy signals

    NASA Astrophysics Data System (ADS)

    Mudra, R.; Niederer, P.; Keller, E.

    2005-04-01

    Recently, conventional near infrared spectroscopy (NIRS) for oxymetry has been extended with an indocyanine green (ICG) dye dilution method which allows the estimation of cerebral blood flow (CBF) and cerebral blood volume (CBV). The signal obtained through the skull is substantially influenced by extracerebral tissue. In order to quantify and eliminate extracerebral contamination of the optical density signal we have applied two approaches. Firstly, we used spatially resolved spectroscopy (SRS) with a two receiver arrangement, with separations between emitter and two receivers in distances of d1=4.0cm and d2=6.5cm. The magnitude of the determined extracerebral contamination was verified with NIRS measurements in patients after brain herniation. Intracerebral circulatory arrest was confirmed by transcerebral Doppler examination. Secondly, Monte Carlo simulation was used to simulate the light propagation through the head to quantify the extracerebral contamination of the optical density signal of NIRS. The anatomical structure is determined from 3D-magnetic resonance imaging (MRI) using a voxel resolution of 0.8 x 0.8 x 0 .8 mm3 for three different pairs of T1/T2 values. We segment the MRI data to obtain a material matrix describing the composition of skin, skull, cerebral spinal fluid (CSF), grey and white matter. Each voxel in this material matrix characterizes the light absorption and dispersion coefficient of the identified material. This material matrix is applied in the Monte Carlo simulation. With SRS an extracerebral contamination of 65% of the optical density signal is extracted, while the Monte Carlo simulation results show that the extracerebral contamination decreases from 70% to 30% with increasing emitter-receiver distance. Differences between the NIRS ICG dye dilution technique and conventional NIRS oxymetry concerning the extracerebral contamination are discussed.

  11. Interferometric Near-Infrared Spectroscopy (iNIRS) for determination of optical and dynamical properties of turbid media

    PubMed Central

    Borycki, Dawid; Kholiqov, Oybek; Chong, Shau Poh; Srinivasan, Vivek J.

    2016-01-01

    We introduce and implement interferometric near-infrared spectroscopy (iNIRS), which simultaneously extracts optical and dynamical properties of turbid media through analysis of a spectral interference fringe pattern. The spectral interference fringe pattern is measured using a Mach-Zehnder interferometer with a frequency-swept narrow linewidth laser. Fourier analysis of the detected signal is used to determine time-of-flight (TOF)-resolved intensity, which is then analyzed over time to yield TOF-resolved intensity autocorrelations. This approach enables quantification of optical properties, which is not possible in conventional, continuous-wave near-infrared spectroscopy (NIRS). Furthermore, iNIRS quantifies scatterer motion based on TOF-resolved autocorrelations, which is a feature inaccessible by well-established diffuse correlation spectroscopy (DCS) techniques. We prove this by determining TOF-resolved intensity and temporal autocorrelations for light transmitted through diffusive fluid phantoms with optical thicknesses of up to 55 reduced mean free paths (approximately 120 scattering events). The TOF-resolved intensity is used to determine optical properties with time-resolved diffusion theory, while the TOF-resolved intensity autocorrelations are used to determine dynamics with diffusing wave spectroscopy. iNIRS advances the capabilities of diffuse optical methods and is suitable for in vivo tissue characterization. Moreover, iNIRS combines NIRS and DCS capabilities into a single modality. PMID:26832264

  12. Identification of uroliths by infrared spectroscopy.

    PubMed

    Manning, R A; Blaney, B J

    1986-12-01

    Wet chemical tests have deficiencies when applied to mixtures containing silica, which are common in the uroliths of some domestic animals. Consequently, the applicability of an infrared spectroscopic method was tested on 104 uroliths obtained from cattle, sheep, goats, horses, pigs, dogs, a chicken and a rabbit during diagnostic investigations. The following components were satisfactorily identified: silica, calcium oxalate, calcium carbonate, calcium phosphate, magnesium ammonium phosphate, magnesium phosphate and urates. The infrared characteristics of these compounds and their mixtures are described.

  13. Highly Resolved Sub-Terahertz Vibrational Spectroscopy of Biological Macromolecules and Bacteria Cells

    DTIC Science & Technology

    2016-07-01

    HIGHLY RESOLVED SUB-TERAHERTZ VIBRATIONAL SPECTROSCOPY OF BIOLOGICAL MACROMOLECULES AND BACTERIA CELLS ECBC...SUBTITLE Highly Resolved Sub-Terahertz Vibrational Spectroscopy of Biological Macromolecules and Bacteria Cells 5a. CONTRACT NUMBER W911SR-14-P...22 4.3 Bacteria THz Study

  14. Highly resolved infrared spectra of pure CO2 ice (15-75 K)

    NASA Astrophysics Data System (ADS)

    Isokoski, K.; Poteet, C. A.; Linnartz, H.

    2013-07-01

    Context. The ν2 bending mode of pure CO2 ice around 15.2 μm exhibits a fine double-peak structure that offers a sensitive probe to study the physical and chemical properties of solid CO2 in space. Current laboratory spectra do not fully resolve the CO2 ice features. Aims: To improve the fitting of the observed CO2 features, high-resolution solid-state infrared spectra of pure CO2 ice are recorded in the laboratory for a series of astronomically relevant temperatures and at an unprecedented level of detail. Methods: The infrared spectra of pure CO2 ice were recorded in the 4000 to 400 cm-1 (2.5-25 μm) region at a resolution of 0.1 cm-1 using Fourier transform infrared spectroscopy. Results: Accurate band positions and band widths (FWHM) of pure CO2 ice are presented for temperatures of 15, 30, 45, 60, and 75 K. The focus of this spectroscopic work is on the CO2 (ν2) bending mode, but more accurate data are also reported for the 12CO2 and 13CO2 (ν3) stretching mode, and CO2 (ν1+ν3) and (2ν2+ν3) combination bands. FITS files of the spectra are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/555/A85

  15. Fourier transform infrared spectroscopy for molecular analysis of microbial cells.

    PubMed

    Ojeda, Jesús J; Dittrich, Maria

    2012-01-01

    A rapid and inexpensive method to characterise chemical cell properties and identify the functional groups present in the cell wall is Fourier transform infrared spectroscopy (FTIR). Infrared spectroscopy is a well-established technique to identify functional groups in organic molecules based on their vibration modes at different infrared wave numbers. The presence or absence of functional groups, their protonation states, or any changes due to new interactions can be monitored by analysing the position and intensity of the different infrared absorption bands. Additionally, infrared spectroscopy is non-destructive and can be used to monitor the chemistry of living cells. Despite the complexity of the spectra, the elucidation of functional groups on Gram-negative and Gram-positive bacteria has been already well documented in the literature. Recent advances in detector sensitivity have allowed the use of micro-FTIR spectroscopy as an important analytical tool to analyse biofilm samples without the need of previous treatment. Using FTIR spectroscopy, the infrared bands corresponding to proteins, lipids, polysaccharides, polyphosphate groups, and other carbohydrate functional groups on the bacterial cells can now be identified and compared along different conditions. Despite some differences in FTIR spectra among bacterial strains, experimental conditions, or changes in microbiological parameters, the IR absorption bands between approximately 4,000 and 400 cm(-1) are mainly due to fundamental vibrational modes and can often be assigned to the same particular functional groups. In this chapter, an overview covering the different sample preparation protocols for infrared analysis of bacterial cells is given, alongside the basic principles of the technique, the procedures for calculating vibrational frequencies based on simple harmonic motion, and the advantages and disadvantages of FTIR spectroscopy for the analysis of microorganisms.

  16. Angle-resolved photoemission spectroscopy at ultra-low temperatures.

    PubMed

    Borisenko, Sergey V; Zabolotnyy, Volodymyr B; Kordyuk, Alexander A; Evtushinsky, Danil V; Kim, Timur K; Carleschi, Emanuela; Doyle, Bryan P; Fittipaldi, Rosalba; Cuoco, Mario; Vecchione, Antonio; Berger, Helmut

    2012-10-09

    The physical properties of a material are defined by its electronic structure. Electrons in solids are characterized by energy (ω) and momentum (k) and the probability to find them in a particular state with given ω and k is described by the spectral function A(k, ω). This function can be directly measured in an experiment based on the well-known photoelectric effect, for the explanation of which Albert Einstein received the Nobel Prize back in 1921. In the photoelectric effect the light shone on a surface ejects electrons from the material. According to Einstein, energy conservation allows one to determine the energy of an electron inside the sample, provided the energy of the light photon and kinetic energy of the outgoing photoelectron are known. Momentum conservation makes it also possible to estimate k relating it to the momentum of the photoelectron by measuring the angle at which the photoelectron left the surface. The modern version of this technique is called Angle-Resolved Photoemission Spectroscopy (ARPES) and exploits both conservation laws in order to determine the electronic structure, i.e. energy and momentum of electrons inside the solid. In order to resolve the details crucial for understanding the topical problems of condensed matter physics, three quantities need to be minimized: uncertainty* in photon energy, uncertainty in kinetic energy of photoelectrons and temperature of the sample. In our approach we combine three recent achievements in the field of synchrotron radiation, surface science and cryogenics. We use synchrotron radiation with tunable photon energy contributing an uncertainty of the order of 1 meV, an electron energy analyzer which detects the kinetic energies with a precision of the order of 1 meV and a He(3) cryostat which allows us to keep the temperature of the sample below 1 K. We discuss the exemplary results obtained on single crystals of Sr2RuO4 and some other materials. The electronic structure of this material can be

  17. Optical and Infrared Spectroscopy of CM Draconis

    NASA Astrophysics Data System (ADS)

    Viti, S.; Jones, H. R. A.; Allard, F.; Schweitzer, A.; Hauschildt, P.

    The authors compare observations of the binary system CM Draconis with synthetic spectra. Spectroscopic observations from 0.40 to 2.41 μm, combined with photometry and the accurately known surface gravity enable to estimate the temperature and metallicity using detailed spectra synthesis. They find discrepancies between the analysis of the infrared and optical spectrum while the optical spectral energy distribution (SED) yields a metal-rich solution with Teff = 3000K, the infrared SED yields around 3200K and -0.8 ≤ [M/H] ≤ -0.6 compatible with the high space motion of the system. The low-metallicity characteristics of the infrared SED could be real and is partly supported by the detailed analysis of the atomic lines in the optical region. Although, the known incompleteness of the TiO and H2O line lists in the models may cause substantial systematic errors.

  18. Cancer diagnosis by infrared spectroscopy: methodological aspects

    NASA Astrophysics Data System (ADS)

    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.

  19. Development of a broadband picosecond infrared spectrometer and its incorporation into an existing ultrafast time-resolved resonance Raman, UV/visible, and fluorescence spectroscopic apparatus.

    PubMed

    Towrie, Michael; Grills, David C; Dyer, Joanne; Weinstein, Julia A; Matousek, Pavel; Barton, Robin; Bailey, Philip D; Subramaniam, Naresh; Kwok, Wai M; Ma, Chensheng; Phillips, David; Parker, Anthony W; George, Michael W

    2003-04-01

    We have constructed a broadband ultrafast time-resolved infrared (TRIR) spectrometer and incorporated it into our existing time-resolved spectroscopy apparatus, thus creating a single instrument capable of performing the complementary techniques of femto-/picosecond time-resolved resonance Raman (TR3), fluorescence, and UV/visible/infrared transient absorption spectroscopy. The TRIR spectrometer employs broadband (150 fs, approximately 150 cm(-1) FWHM) mid-infrared probe and reference pulses (generated by difference frequency mixing of near-infrared pulses in type I AgGaS2), which are dispersed over two 64-element linear infrared array detectors (HgCdTe). These are coupled via custom-built data acquisition electronics to a personal computer for data processing. This data acquisition system performs signal handling on a shot-by-shot basis at the 1 kHz repetition rate of the pulsed laser system. The combination of real-time signal processing and the ability to normalize each probe and reference pulse has enabled us to achieve a high sensitivity on the order of deltaOD approximately 10(-4) - 10(-5) with 1 min of acquisition time. We present preliminary picosecond TRIR studies using this spectrometer and also demonstrate how a combination of TRIR and TR3 spectroscopy can provide key information for the full elucidation of a photochemical process.

  20. Time-resolved spectroscopy of the pulsating CV GW Lib

    NASA Astrophysics Data System (ADS)

    van Spaandonk, L.; Steeghs, D.; Marsh, T. R.; Torres, M. A. P.

    2010-01-01

    We present time-resolved optical spectroscopy of the dwarf nova GW Librae during its rare 2007 April superoutburst and compare these with quiescent epochs. The data provide the first opportunity to track the evolution of the principal spectral features. In the early stages of the outburst, the optically thick disc dominates the optical and the line components show clear orbital radial velocity excursions. In the course of several weeks, optically thin regions become more prominent as strong emission lines replace the broad disc absorption. Post-outburst spectroscopy covering the I band illustrates the advantages of CaII relative to the commonly used Balmer lines when attempting to constrain binary parameters. Due to the lower ionization energy combined with smaller thermal and shear broadening of these lines, a sharp emission component is seen to be moving in between the accretion disc peaks in the CaII line. No such component is visible in the Balmer lines. We interpret this as an emission component originating on the hitherto unseen mass donor star. This emission component has a mean velocity of ~ -15 +/- 5 kms-1 which is associated with the systemic velocity γ, and a velocity semi-amplitude of Kem = 82.2 +/- 4.9 kms-1. Doppler tomography reveals an asymmetric accretion disc, with the S-wave mapping to a sharp spot in the tomogram with a velocity consistent to what is obtained with line profile fitting. A centre of symmetry analysis of the disc component suggests a very small value for the WD orbital velocity K1 as is also inferred from double Gaussian fits to the spectral lines. While our conservative dynamical limits place a hard upper limit on the binary mass ratio of q < 0.23, we favour a significantly lower value near q ~ 0.06. Pulsation modelling suggests a white dwarf mass ~1Msolar. This, paired with a low-mass donor, near the empirical sequence of an evolved cataclysmic variable close to the period bounce, appears to be consistent with all the

  1. Optimization of diffuse reflectance infrared spectroscopy accessories

    SciTech Connect

    Hirschfeld, T.

    1986-11-01

    The value of diffuse reflectance as an infrared or near-infrared spectroscopic sampling procedure has been limited by the low efficiency of accessories designed for it. In terms of signal-to-noise ratio, these average 2-6% for integrating spheres and 10-12% for various ellipsoidal mirror arrangements. Much better performances, up to 37% efficiency, can be obtained by optimizing a concentric confocal ellipsoidal mirror arrangement by using a very large central opening in the amular collector mirror, and adapting the throughput of the detector to the geometry of the collected beam.

  2. Improved source of infrared radiation for spectroscopy

    NASA Technical Reports Server (NTRS)

    Burkhard, D. G.; Rao, K. N.

    1971-01-01

    Radiation from a crimped V-groove in the electrically heated metallic element of a high-resolution infrared spectrometer is more intense than that from plane areas adjacent to the element. Radiation from the vee and the flat was compared by alternately focusing on the entrance slit of a spectrograph.

  3. Infrared absorption spectroscopy and chemical kinetics of free radicals

    SciTech Connect

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

    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.

  4. Infrared heterodyne spectroscopy of atmospheric ozone

    NASA Technical Reports Server (NTRS)

    Frerking, M. A.; Muehlner, D. J.

    1977-01-01

    The absorption spectrum of atmospheric ozone is measured within a 1/cm region at 1100/cm, using an IR heterodyne detector (spectrometer with CO2 local oscillator) developed for astronomical work. Absorption spectra obtained by passing radiation from the tunable diode laser through an absorption cell, heterodyne spectra of atmospheric ozone, and a predicted atmospheric spectrum are compared. Water vapor absorbing in the region of interest (1100/cm) is also considered. Preliminary results encourage the use of diode laser local oscillators in tunable heterodyne detector systems for spectroscopy of atmospheric ozone and remote high-resolution spectroscopy of atmospheric constituents and pollutants.

  5. Mid-infrared spectroscopy for protein analysis: potential and challenges.

    PubMed

    López-Lorente, Ángela I; Mizaikoff, Boris

    2016-04-01

    Mid-infrared (MIR) spectroscopy investigates the interaction of MIR photons with both organic and inorganic molecules via the excitation of vibrational and rotational modes, providing inherent molecular selectivity. In general, infrared (IR) spectroscopy is particularly sensitive to protein structure and structural changes via vibrational resonances originating from the polypeptide backbone or side chains; hence information on the secondary structure of proteins can be obtained in a label-free fashion. In this review, the challenges for IR spectroscopy for protein analysis are discussed as are the potential and limitations of different IR spectroscopic techniques enabling protein analysis. In particular, the amide I spectral range has been widely used to study protein secondary structure, conformational changes, protein aggregation, protein adsorption, and the formation of amyloid fibrils. In addition to representative examples of the potential of IR spectroscopy in various fields related to protein analysis, the potential of protein analysis taking advantage of miniaturized MIR systems, including waveguide-enhanced MIR sensors, is detailed.

  6. Advances in Mid-Infrared Spectroscopy for Chemical Analysis

    NASA Astrophysics Data System (ADS)

    Haas, Julian; Mizaikoff, Boris

    2016-06-01

    Infrared spectroscopy in the 3-20 μm spectral window has evolved from a routine laboratory technique into a state-of-the-art spectroscopy and sensing tool by benefitting from recent progress in increasingly sophisticated spectra acquisition techniques and advanced materials for generating, guiding, and detecting mid-infrared (MIR) radiation. Today, MIR spectroscopy provides molecular information with trace to ultratrace sensitivity, fast data acquisition rates, and high spectral resolution catering to demanding applications in bioanalytics, for example, and to improved routine analysis. In addition to advances in miniaturized device technology without sacrificing analytical performance, selected innovative applications for MIR spectroscopy ranging from process analysis to biotechnology and medical diagnostics are highlighted in this review.

  7. Modelling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin

    PubMed Central

    2015-01-01

    Time-resolved two-dimensional (2D) electronic spectra (ES) tracking the evolution of the excited state manifolds of the retinal chromophore have been simulated along the photoisomerization pathway in bovine rhodopsin, using a state-of-the-art hybrid QM/MM approach based on multiconfigurational methods. Simulations of broadband 2D spectra provide a useful picture of the overall detectable 2D signals from the near-infrared (NIR) to the near-ultraviolet (UV). Evolution of the stimulated emission (SE) and excited state absorption (ESA) 2D signals indicates that the S1 → SN (with N ≥ 2) ESAs feature a substantial blue-shift only after bond inversion and partial rotation along the cis → trans isomerization angle, while the SE rapidly red-shifts during the photoinduced skeletal relaxation of the polyene chain. Different combinations of pulse frequencies are proposed in order to follow the evolution of specific ESA signals. These include a two-color 2DVis/NIR setup especially suited for tracking the evolution of the S1 → S2 transitions that can be used to discriminate between different photochemical mechanisms of retinal photoisomerization as a function of the environment. The reported results are consistent with the available time-resolved pump–probe experimental data, and may be used for the design of more elaborate transient 2D electronic spectroscopy techniques. PMID:24794143

  8. Nanosecond time-resolved and steady-state infrared studies of photoinduced decomposition of TATB at ambient and elevated pressure.

    PubMed

    Glascoe, Elizabeth A; Zaug, Joseph M; Armstrong, Michael R; Crowhurst, Jonathan C; Grant, Christian D; Fried, Laurence E

    2009-05-21

    The time scale and/or products of photoinduced decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) were investigated at ambient pressure and compared with products formed at 8 GPa. Ultrafast time-resolved infrared and steady-state Fourier transform IR (FTIR) spectroscopies were used to probe TATB and its products after photoexcitation with a 5 ns pulse of 532 nm light. At ambient pressure, transient spectra of TATB indicate that the molecule has significantly decomposed within 60 ns; transient spectra also indicate that formation of CO(2), an observed decomposition product, is complete within 30-40 mus. Proof of principle time-resolved experiments at elevated pressures were performed and are discussed briefly. Comparison of steady-state FTIR spectra obtained at ambient and elevated pressure (ca. 8 GPa) indicate that the decomposition products vary with pressure. We find evidence for water as a decomposition product only at elevated pressure.

  9. [Photodissociation of Acetylene and Acetone using Step-Scan Time-Resolved FTIR Emission Spectroscopy

    NASA Technical Reports Server (NTRS)

    McLaren, Ian A.; Wrobel, Jacek D.

    1997-01-01

    The photodissociation of acetylene and acetone was investigated as a function of added quenching gas pressures using step-scan time-resolved FTIR emission spectroscopy. Its main components consist of Bruker IFS88, step-scan Fourier Transform Infrared (FTIR) spectrometer coupled to a flow cell equipped with Welsh collection optics. Vibrationally excited C2H radicals were produced from the photodissociation of acetylene in the unfocused experiments. The infrared (IR) emission from these excited C2H radicals was investigated as a function of added argon pressure. Argon quenching rate constants for all C2H emission bands are of the order of 10(exp -13)cc/molecule.sec. Quenching of these radicals by acetylene is efficient, with a rate constant in the range of 10(exp -11) cc/molecule.sec. The relative intensity of the different C2H emission bands did not change with the increasing argon or acetylene pressure. However, the overall IR emission intensity decreased, for example, by more than 50% when the argon partial pressure was raised from 0.2 to 2 Torr at fixed precursor pressure of 160mTorr. These observations provide evidence for the formation of a metastable C2H2 species, which are collisionally quenched by argon or acetylene. Problems encountered in the course of the experimental work are also described.

  10. Infrared Attenuated Total Reflectance Spectroscopy: An Innovative Strategy for Analyzing Mineral Components in Energy Relevant Systems

    NASA Astrophysics Data System (ADS)

    Müller, Christian Menno; Pejcic, Bobby; Esteban, Lionel; Piane, Claudio Delle; Raven, Mark; Mizaikoff, Boris

    2014-10-01

    The direct qualitative and quantitative determination of mineral components in shale rocks is a problem that has not been satisfactorily resolved to date. Infrared spectroscopy (IR) is a non-destructive method frequently used in mineral identification, yet challenging due to the similarity of spectral features resulting from quartz, clay, and feldspar minerals. This study reports on a significant improvement of this methodology by combining infrared attenuated total reflection spectroscopy (IR-ATR) with partial least squares (PLS) regression techniques for classifying and quantifying various mineral components present in a number of different shale rocks. The developed multivariate classification model was calibrated using pure component mixtures of the most common shale minerals (i.e., kaolinite, illite, montmorillonite, calcite, and quartz). Using this model, the IR spectra of 11 real-world shale samples were analyzed and evaluated. Finally, the performance of the developed IR-ATR method was compared with results obtained via X-ray diffraction (XRD) analysis.

  11. Infrared attenuated total reflectance spectroscopy: an innovative strategy for analyzing mineral components in energy relevant systems.

    PubMed

    Müller, Christian Menno; Pejcic, Bobby; Esteban, Lionel; Delle Piane, Claudio; Raven, Mark; Mizaikoff, Boris

    2014-10-31

    The direct qualitative and quantitative determination of mineral components in shale rocks is a problem that has not been satisfactorily resolved to date. Infrared spectroscopy (IR) is a non-destructive method frequently used in mineral identification, yet challenging due to the similarity of spectral features resulting from quartz, clay, and feldspar minerals. This study reports on a significant improvement of this methodology by combining infrared attenuated total reflection spectroscopy (IR-ATR) with partial least squares (PLS) regression techniques for classifying and quantifying various mineral components present in a number of different shale rocks. The developed multivariate classification model was calibrated using pure component mixtures of the most common shale minerals (i.e., kaolinite, illite, montmorillonite, calcite, and quartz). Using this model, the IR spectra of 11 real-world shale samples were analyzed and evaluated. Finally, the performance of the developed IR-ATR method was compared with results obtained via X-ray diffraction (XRD) analysis.

  12. Angle-resolved photoemission spectroscopy (ARPES) studies of cuprate superconductors

    SciTech Connect

    Palczewski, Ari Deibert

    2010-01-01

    This dissertation is comprised of three different angle-resolved photoemission spectroscopy (ARPES) studies on cuprate superconductors. The first study compares the band structure from two different single layer cuprates Tl2Ba2CuO6+δ (Tl2201) Tc, max ≈ 95 K and (Bi 1.35Pb0.85)(Sr1.47La0.38)CuO6+δ (Bi2201) Tc, max ≈ 35 K. The aim of the study was to provide some insight into the reasons why single layer cuprate's maximum transition temperatures are so different. The study found two major differences in the band structure. First, the Fermi surface segments close to (π,0) are more parallel in Tl2201 than in Bi2201. Second, the shadow band usually related to crystal structure is only present in Bi2201, but absent in higher Tc Tl2201. The second study looks at the different ways of doping Bi2Sr2CaCu2O8+δ (Bi2212) in-situ by only changing the post bake-out vacuum conditions and temperature. The aim of the study is to systematically look into the generally overlooked experimental conditions that change the doping of a cleaved sample in ultra high vacuum (UHV) experiments. The study found two major experimental facts. First, in inadequate UHV conditions the carrier concentration of Bi2212 increases with time, due to the absorption of oxygen from CO2/CO molecules, prime contaminants present in UHV systems. Second, in a very clean UHV system at elevated temperatures (above about 200 K), the carrier concentration decreases due to the loss of oxygen atoms from the Bi-O layer. The final study probed the particle-hole symmetry of the pseudogap phase in high temperature superconducting cuprates by looking at the thermally excited bands above the Fermi level. The data showed a particle-hole symmetric pseudogap which symmetrically closes away from the nested FS before the node. The data is consistent

  13. Angle-resolved photoemission spectroscopy (ARPES) studies of cuprate superconductors

    SciTech Connect

    Palczewski, Ari Deibert

    2010-01-01

    This dissertation is comprised of three different angle-resolved photoemission spectroscopy (ARPES) studies on cuprate superconductors. The first study compares the band structure from two different single layer cuprates Tl2Ba2CuO6+δ (Tl2201) Tc,max ~95 K and (Bi1.35Pb0.85)(Sr1.47La0.38)CuO6+δ (Bi2201) Tc,max 35 K. The aim of the study was to provide some insight into the reasons why single layer cuprate's maximum transition temperatures are so different. The study found two major di erences in the band structure. First, the Fermi surface segments close to ( π,0) are more parallel in Tl2201 than in Bi2201. Second, the shadow band usually related to crystal structure is only present in Bi2201, but absent in higher Tc Tl2201. The second study looks at the different ways of doping Bi2Sr2CaCu2O8+δ (Bi2212) in-situ by only changing the post bake-out vacuum conditions and temperature. The aim of the study is to systematically look into the generally overlooked experimental conditions that change the doping of a cleaved sample in ultra high vacuum (UHV) experiments. The study found two major experimental facts. First, in inadequate UHV conditions the carrier concentration of Bi2212 increases with time, due to the absorption of oxygen from CO2/CO molecules, prime contaminants present in UHV systems. Second, in a very clean UHV system at elevated temperatures (above about 200 K), the carrier concentration decreases due to the loss of oxygen atoms from the Bi-O layer. The final study probed the particle-hole symmetry of the pseudogap phase in high temperature superconducting cuprates by looking at the thermally excited bands above the Fermi level. The data showed a particle-hole symmetric pseudogap which symmetrically closes away from the nested FS before the node. The data is consistent with a

  14. Ultrafast time-resolved spectroscopy of xanthophylls at low temperature.

    PubMed

    Cong, Hong; Niedzwiedzki, Dariusz M; Gibson, George N; Frank, Harry A

    2008-03-20

    Many of the spectroscopic features and photophysical properties of xanthophylls and their role in energy transfer to chlorophyll can be accounted for on the basis of a three-state model. The characteristically strong visible absorption of xanthophylls is associated with a transition from the ground state S0 (1(1)Ag-) to the S2 (1(1)Bu+) excited state. The lowest lying singlet state denoted S1 (2(1)Ag-), is a state into which absorption from the ground state is symmetry forbidden. Ultrafast optical spectroscopic studies and quantum computations have suggested the presence of additional excited singlet states in the vicinity of S1 (2(1)Ag-) and S2 (1(1)Bu+). One of these is denoted S* and has been suggested in previous work to be associated with a twisted molecular conformation of the molecule in the S1 (2(1)Ag-) state. In this work, we present the results of a spectroscopic investigation of three major xanthophylls from higher plants: violaxanthin, lutein, and zeaxanthin. These molecules have systematically increasing extents of pi-electron conjugation from nine to eleven conjugated carbon-carbon double bonds. All-trans isomers of the molecules were purified by high-performance liquid chromatography (HPLC) and studied by steady-state and ultrafast time-resolved optical spectroscopy at 77 K. Analysis of the data using global fitting techniques has revealed the inherent spectral properties and ultrafast dynamics of the excited singlet states of each of the molecules. Five different global fitting models were tested, and it was found that the data are best explained using a kinetic model whereby photoexcitation results in the promotion of the molecule into the S2 (1(1)Bu+) state that subsequently undergoes decay to a vibrationally hot S1 (1(1)Ag-) state and with the exception of violaxanthin also to the S* state. The vibrationally hot S1 (1(1)Ag-) state then cools to a vibrationally relaxed S1 (2(1)Ag-) state in less than a picosecond. It was also found that a portion

  15. Time-Resolved Spectroscopy of Active Binary Stars

    NASA Technical Reports Server (NTRS)

    Brown, Alexander

    2000-01-01

    This NASA grant covered EUVE observing and data analysis programs during EUVE Cycle 5 GO observing. The research involved a single Guest Observer project 97-EUVE-061 "Time-Resolved Spectroscopy of Active Binary Stars". The grant provided funding that covered 1.25 months of the PI's salary. The activities undertaken included observation planning and data analysis (both temporal and spectral). This project was awarded 910 ksec of observing time to study seven active binary stars, all but one of which were actually observed. Lambda-And was observed on 1997 Jul 30 - Aug 3 and Aug 7-14 for a total of 297 ksec; these observations showed two large complex flares that were analyzed by Osten & Brown (1999). AR Psc, observed for 350 ksec on 1997 Aug 27 - Sep 13, showed only relatively small flares that were also discussed by Osten & Brown (1999). EUVE observations of El Eri were obtained on 1994 August 24-28, simultaneous with ASCA X-ray spectra. Four flares were detected by EUVE with one of these also observed simultaneously, by ASCA. The other three EUVE observations were of the stars BY Dra (1997 Sep 22-28), V478 Lyr (1998 May 18-27), and sigma Gem (1998 Dec 10-22). The first two stars showed a few small flares. The sigma Gem data shows a beautiful complete flare with a factor of ten peak brightness compared to quiescence. The flare rise and almost all the decay phase are observed. Unfortunately no observations in other spectral regions were obtained for these stars. Analysis of the lambda-And and AR Psc observations is complete and the results were published in Osten & Brown (1999). Analysis of the BY Dra, V478 Lyr and sigma Gem EUVE data is complete and will be published in Osten (2000, in prep.). The El Eri EUV analysis is also completed and the simultaneous EUV/X-ray study will be published in Osten et al. (2000, in prep.). Both these latter papers will be submitted in summer 2000. All these results will form part of Rachel Osten's PhD thesis.

  16. Time-resolved optical spectroscopy measurements of shocked liquid deuterium

    NASA Astrophysics Data System (ADS)

    Bailey, J. E.; Knudson, M. D.; Carlson, A. L.; Dunham, G. S.; Desjarlais, M. P.; Hanson, D. L.; Asay, J. R.

    2008-10-01

    Time-resolved optical spectroscopy has been used to measure the shock pressure steadiness, emissivity, and temperature of liquid deuterium shocked to 22-90 GPa. The shock was produced using magnetically accelerated flyer plate impact, and spectra were acquired with a suite of four fiber-optic-coupled spectrometers with streak camera detectors. The shock pressure changes by an average of -1.2% over the 10-30 ns cell transit time, determined from the relative changes in the shock front self-emission with time. The shock front reflectivity was measured from 5140Å and 5320Å laser light reflected from the D2 shock. The emissivity inferred from the reflectivity measurements was in reasonably good agreement with quantum molecular dynamics simulation predictions. The spectral radiance wavelength dependence was found to agree well (average normalized χ2=1.6 ) with a Planckian multiplied by the emissivity. The shock front temperature was determined from the emissivity and the wavelength-dependent shock self-emission. Thirty-seven temperature measurements spanning the 22-90 GPa range were accumulated. The large number of temperature measurements enables a comparison of the scatter in the data with expectations for a Gaussian distribution. This facilitates determination of uncertainties that incorporate both apparatus contributions and otherwise unquantified systematic effects that cause self-emission variations from one experiment to another. Agreement between temperatures determined from the absolute spectral radiance and from the relative shape of the spectrum further substantiates the absence of systematic biases. The weighted mean temperature uncertainties were as low as ±3-4% , enabling the discrimination between competing models for the D2 equation of state (EOS). The temperature results agree well with models that predict a maximum compression of ˜4.4 . Softer models that predict approximately sixfold compression are inconsistent with the data to a very high

  17. Total Infrared Luminosity Estimation of Resolved and Unresolved Galaxies

    NASA Astrophysics Data System (ADS)

    Boquien, M.; Bendo, G.; Calzetti, D.; Dale, D.; Engelbracht, C.; Kennicutt, R.; Lee, J. C.; van Zee, L.; Moustakas, J.

    2010-04-01

    The total infrared (TIR) luminosity from galaxies can be used to examine both star formation and dust physics. We provide here new relations to estimate the TIR luminosity from various Spitzer bands, in particular from the 8 μm and 24 μm bands. To do so, we use data for 45'' subregions within a subsample of nearby face-on spiral galaxies from the Spitzer Infrared Nearby Galaxies Survey (SINGS) that have known oxygen abundances as well as integrated galaxy data from the SINGS, the Local Volume Legacy survey (LVL), and Engelbracht et al. samples. Taking into account the oxygen abundances of the subregions, the star formation rate intensity, and the relative emission of the polycyclic aromatic hydrocarbons at 8 μm, the warm dust at 24 μm, and the cold dust at 70 μm and 160 μm, we derive new relations to estimate the TIR luminosity from just one or two of the Spitzer bands. We also show that the metallicity and the star formation intensity must be taken into account when estimating the TIR luminosity from two wave bands, especially when data longward of 24 μm are not available.

  18. Infrared microcalorimetric spectroscopy using quantum cascade lasers.

    PubMed

    Morales-Rodríguez, M E; Senesac, L R; Rajic, S; Lavrik, N V; Smith, D B; Datskos, P G

    2013-02-15

    We have investigated an IR microcalorimetric spectroscopy technique that can be used to detect the presence of trace amounts of target molecules. The chemical detection is accomplished by obtaining the IR photothermal spectra of molecules adsorbed on the surface of uncooled thermal micromechanical detectors. Although we use a chemical layer to absorb target molecules, IR microcalorimetric spectroscopy requires no chemical specific coatings. The chemical specificity of the presented method is a consequence of the wavelength-specific absorption of IR photons from tunable quantum cascade lasers due to vibrational spectral bands of the analyte. We have obtained IR photothermal spectra for trace concentrations of 1,3,5-Trinitroperhydro-1,3,5-triazine and a monolayer of 2-Sulfanylethan-1-ol (2-mercaptoethanol) over the wavelength region from 6 to 10 μm. We found that both chemicals exhibit a number of photothermal absorption features that are in good agreement with their respective IR spectra.

  19. Time-resolved reflectance spectroscopy for nondestructive assessment of fruit and vegetable quality

    NASA Astrophysics Data System (ADS)

    Torricelli, Alessandro; Spinelli, Lorenzo; Vanoli, Maristella; Rizzolo, Anna; Eccher Zerbini, Paola

    2007-09-01

    In the majority of food and feed, due to the microscopic spatial changes in the refractive index, visible (VIS) and near infrared (NIR) light undergoes multiple scattering events and the overall light distribution is determined more by scattering rather than absorption. Conventional steady state VIS/NIR reflectance spectroscopy can provide information on light attenuation, which depends both on light absorption and light scattering, but cannot discriminate these two effects. On the contrary, time-resolved reflectance spectroscopy (TRS) provides a complete optical characterisation of diffusive media in terms of their absorption coefficient and reduced scattering coefficient. From the assessment of the absorption and reduced scattering coefficients, information can then be derived on the composition and internal structure of the medium. Main advantages of the technique are the absolute non-invasiveness, the potentiality for non-contact measurements, and the capacity to probe internal properties with no influence from the skin. In this work we review the physical and technical issues related to the use of TRS for nondestructive quality assessment of fruit and vegetable. A laboratory system for broadband TRS, based on tunable mode-locked lasers and fast microchannel plate photomultiplier, and a portable setup for TRS measurements, based on pulsed diode lasers and compact metal-channel photomultiplier, will be described. Results on broadband optical characterisation of fruits and applications of TRS to the detection of internal defects in pears and to maturity assessment in nectarines will be presented.

  20. Cyclohexene Photo-oxidation over Vanadia Catalyst Analyzed by Time Resolved ATR-FT-IR Spectroscopy

    SciTech Connect

    Frei, Heinz; Mul, Guido; Wasylenko, Walter; Hamdy, M. Sameh; Frei, Heinz

    2008-06-04

    Vanadia was incorporated in the 3-dimensional mesoporous material TUD-1 with a loading of 2percent w/w vanadia. The performance in the selective photo-oxidation of liquid cyclohexene was investigated using ATR-FT-IR spectroscopy. Under continuous illumination at 458 nm a significant amount of product, i.e. cyclohexenone, was identified. This demonstrates for the first time that hydroxylated vanadia centers in mesoporous materials can be activated by visible light to induce oxidation reactions. Using the rapid scan method, a strong perturbation of the vanadyl environment could be observed in the selective oxidation process induced by a 458 nm laser pulse of 480 ms duration. This is proposed to be caused by interaction of the catalytic centre with a cyclohexenyl hydroperoxide intermediate. The restoration of the vanadyl environment could be kinetically correlated to the rate of formation of cyclohexenone, and is explained by molecular rearrangement and dissociation of the peroxide to ketone and water. The ketone diffuses away from the active center and ATR infrared probing zone, resulting in a decreasing ketone signal on the tens of seconds time scale after initiation of the photoreaction. This study demonstrates the high potential of time resolved ATR FT-IR spectroscopy for mechanistic studies of liquid phase reactions by monitoring not only intermediates and products, but by correlating the temporal behavior of these species to molecular changes of the vanadyl catalytic site.

  1. Near-infrared spectroscopy of dark asteroids.

    PubMed

    Barucci, M A; Lazzarin, M; Owen, T; Barbieri, C; Fulchignoni, M

    1994-08-01

    Near-infrared (J, H and K bands) spectra of nine dark asteroids (chosen among a sample of supposed primitive objects between C and D classes) have been obtained at the Mauna Kea Observatory (Hawaii) with the 2.2-m telescope using KSPEC as spectrograph. The aim of this work was to search for evidence of the presence of organic materials in these objects as found in other planetary bodies as 5145 Pholus, and in some cometary nuclei. A careful analysis of the data has revealed flat or slightly redder spectra than the solar one for all observed asteroids. No evidence of distinct absorption features was found.

  2. Infrared spectroscopy assisted by entangled photons

    NASA Astrophysics Data System (ADS)

    Paterova, Anna V.; Lung, Shaun; Kalashnikov, Dmitry A.; Kulik, Sergei P.; Krivitsky, Leonid A.

    2016-11-01

    We describe a proof-of-concept of a method for measurement of both real (refraction) and imaginary (absorption) part of the refractive index in the infrared (IR) range by measuring an interference pattern in the visible range without the need for any spectral and spatial selection. The concept is based on nonlinear interference of entangled photons, generated via Spontaneous Parametric Down Conversion (SPDC). In our interferometer, the phase of the signal photon in the visible range depends on the phase of an entangled IR photon. When the IR photon is traveling through the media of interest, its properties can be found from the observations of the visible photon.

  3. Galileo infrared imaging spectroscopy measurements at venus

    USGS Publications Warehouse

    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.

  4. WW domain folding complexity revealed by infrared spectroscopy.

    PubMed

    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.

  5. Social Perception in Infancy: A Near Infrared Spectroscopy Study

    ERIC Educational Resources Information Center

    Lloyd-Fox, Sarah; Blasi, Anna; Volein, Agnes; Everdell, Nick; Elwell, Claire E.; Johnson, Mark H.

    2009-01-01

    The capacity to engage and communicate in a social world is one of the defining characteristics of the human species. While the network of regions that compose the social brain have been the subject of extensive research in adults, there are limited techniques available for monitoring young infants. This study used near infrared spectroscopy to…

  6. WW Domain Folding Complexity Revealed by Infrared Spectroscopy

    PubMed Central

    2015-01-01

    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 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. PMID:25121968

  7. Infrared Spectroscopy of Explosives Residues: Measurement Techniques and Spectral Analysis

    SciTech Connect

    Phillips, Mark C.; Bernacki, Bruce E.

    2015-03-11

    Infrared laser spectroscopy of explosives is a promising technique for standoff and non-contact detection applications. However, the interpretation of spectra obtained in typical standoff measurement configurations presents numerous challenges. Understanding the variability in observed spectra from explosives residues and particles is crucial for design and implementation of detection algorithms with high detection confidence and low false alarm probability. We discuss a series of infrared spectroscopic techniques applied toward measuring and interpreting the reflectance spectra obtained from explosives particles and residues. These techniques utilize the high spectral radiance, broad tuning range, rapid wavelength tuning, high scan reproducibility, and low noise of an external cavity quantum cascade laser (ECQCL) system developed at Pacific Northwest National Laboratory. The ECQCL source permits measurements in configurations which would be either impractical or overly time-consuming with broadband, incoherent infrared sources, and enables a combination of rapid measurement speed and high detection sensitivity. The spectroscopic methods employed include standoff hyperspectral reflectance imaging, quantitative measurements of diffuse reflectance spectra, reflection-absorption infrared spectroscopy, microscopic imaging and spectroscopy, and nano-scale imaging and spectroscopy. Measurements of explosives particles and residues reveal important factors affecting observed reflectance spectra, including measurement geometry, substrate on which the explosives are deposited, and morphological effects such as particle shape, size, orientation, and crystal structure.

  8. Detecting Counterfeit Antimalarial Tablets by Near-Infrared Spectroscopy

    USDA-ARS?s Scientific Manuscript database

    Counterfeit antimalarial drugs are found in many developing countries, but it is challenging to differentiate between genuine and fakes due to their increasing sophistication. Near-infrared spectroscopy (NIRS) is a powerful tool in pharmaceutical forensics, and we tested this technique for discrim...

  9. Predicting cotton stelometer fiber strength by fourier transform infrared spectroscopy

    USDA-ARS?s Scientific Manuscript database

    The strength of cotton fibers is one of several important end-use characteristics. In routine programs, it has been mostly assessed by automation-oriented high volume instrument (HVI) system. An alternative method for cotton strength is near infrared (NIR) spectroscopy. Although previous NIR models ...

  10. Measurement of lipid supplements in poultry feed by infrared spectroscopy

    USDA-ARS?s Scientific Manuscript database

    Rapid measurement of a fatty acid supplement in poultry feed formulations was performed using near infrared (NIR) spectroscopy with chemometric analysis. A standard feed formulation was amended with up to 10 wt% fatty acid supplement containing docosahexaenoic acid (DHA) and scanned from 10,000 cm-1...

  11. Social Perception in Infancy: A Near Infrared Spectroscopy Study

    ERIC Educational Resources Information Center

    Lloyd-Fox, Sarah; Blasi, Anna; Volein, Agnes; Everdell, Nick; Elwell, Claire E.; Johnson, Mark H.

    2009-01-01

    The capacity to engage and communicate in a social world is one of the defining characteristics of the human species. While the network of regions that compose the social brain have been the subject of extensive research in adults, there are limited techniques available for monitoring young infants. This study used near infrared spectroscopy to…

  12. Exploration of the giant planets by infrared spectroscopy

    NASA Technical Reports Server (NTRS)

    Hanel, R. A.

    1976-01-01

    The infrared spectrometer and radiometer for the Mariner-Jupiter-Saturn mission is described. Results of Nimbus and Mariner 9 IR spectroscopy of earth and Mars are used as examples to demonstrate the power and diversity of the technique. Determinations of planetary surface compositions, surface temperatures, vertical temperature profiles, surface pressures, and atmospheric constituents are summarized. Applications to Jupiter and Saturn are briefly mentioned.

  13. Understanding ion association states and molecular dynamics using infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Masser, Hanqing

    A molecular level understanding of the ion transport mechanism within polymer electrolytes is crucial to the further development for advanced energy storage applications. This can be achieved by the identification and quantitative measurement of different ion species in the system and further relating them to the ion conductivity. In the first part of this thesis, research is presented towards understanding the ion association states (free ions, ion pairs and ion aggregates) in ionomer systems, and the correlation of ion association states, ion conduction, polymer dynamics, and morphology. Ion conductivity in ionomers can be improved by lowering glass transition temperature, increasing polymer ion solvation ability, and adjusting ionomer structural variables such as ion content, cation type and side chain structure. These effects are studied in three ionomer systems respectively, using a combination of characterization methods. Fourier Transform Infrared Spectroscopy (FTIR) identifies and quantifies the ion association states. Dielectric Spectroscopy (DRS) characterizes ion conductivity and polymer and ion dynamics. X-ray scattering reveals changes in morphology. The influence of a cation solvating plasticizer on a polyester ionomer is systematically investigated with respect to ion association states, ion and polymer dynamics and morphology. A decrease in the number ratio of ion aggregates with increased plasticizer content and a slight increase at elevated temperature are observed in FTIR. Similar results are also detected by X-ray scattering. As determined from dielectric spectroscopy, ion conductivity increases with plasticizer content, in accordance with the decrease in glass transition temperature. Research on copolymer of poly(ethylene oxide) (PEO) and poly(tetramethylene oxide) (PTMO) based ionomers further develops an understanding of the trade-off between ion solvation and segmental dynamics. Upon the incorporation of PTMO, the majority of the PTMO

  14. High resolution spectroscopy in the microwave and far infrared

    NASA Technical Reports Server (NTRS)

    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.

  15. On-line infrared spectroscopy for bioprocess monitoring.

    PubMed

    Landgrebe, Daniel; Haake, Claas; Höpfner, Tim; Beutel, Sascha; Hitzmann, Bernd; Scheper, Thomas; Rhiel, Martin; Reardon, Kenneth F

    2010-09-01

    One of the major aims of bioprocess engineering is the real-time monitoring of important process variables. This is the basis of precise process control and is essential for high productivity as well as the exact documentation of the overall production process. Infrared spectroscopy is a powerful analytical technique to analyze a wide variety of organic compounds. Thus, infrared sensors are ideal instruments for bioprocess monitoring. The sensors are non-invasive, have no time delay due to sensor response times, and have no influence on the bioprocess itself. No sampling is necessary, and several components can be analyzed simultaneously. In general, the direct monitoring of substrates, products, metabolites, as well as the biomass itself is possible. In this review article, insights are provided into the different applications of infrared spectroscopy for bioprocess monitoring and the complex data interpretation. Different analytical techniques are presented as well as example applications in different areas.

  16. Probing quasiparticle states in strongly interacting atomic gases by momentum-resolved Raman photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Dao, Tung-Lam; Carusotto, Iacopo; Georges, Antoine

    2009-08-01

    We investigate a momentum-resolved Raman spectroscopy technique which is able to probe the one-body spectral function and the quasiparticle states of a gas of strongly interacting ultracold atoms. This technique is inspired by angle-resolved photoemission spectroscopy, a powerful experimental probe of electronic states in solid-state systems. Quantitative examples of experimentally accessible spectra are given for the most significant regimes along the BEC-BCS crossover. When the theory is specialized to rf spectroscopy, agreement is found with recent experimental data. The main advantages of this Raman spectroscopy over existing techniques are pointed out.

  17. Infrared Spectroscopy of Extra-solar Planets

    NASA Astrophysics Data System (ADS)

    Wiedemann, G.

    Giant extra-solar planets with short orbital periods may be detected directly via the infrared line spectra emitted by their heated atmospheres. Ground-based measurements of the planetary lines at ~10-4 of the stellar flux are possible if one exploits the large-amplitude Doppler modulation caused by the orbital velocity, whereby the period and phase are known for stars with established reflex motions. A measured radial velocity amplitude of the planet yields directly the star/planet mass ratio and the inclination angle of the orbital plane. A search for methane in the IR 3.3 μm spectrum of τ Boo has been carried out at the NASA IRTF. The Southern Saturn-type planet of HD 75289 has been observed over a six week period by the VLT (2.3 μm CO) and future CO and CH4 observations are scheduled.

  18. Airborne infrared spectroscopy of 1994 western wildfires

    NASA Astrophysics Data System (ADS)

    Worden, Helen; Beer, Reinhard; Rinsland, Curtis P.

    1997-01-01

    In the summer of 1994 the 0.07 cm-1 resolution infrared Airborne Emission Spectrometer (AES) acquired spectral data over two wildfires, one in central Oregon on August 3 and the other near San Luis Obispo, California, on August 15. The spectrometer was on board a NASA DC-8 research aircraft, flying at an altitude of 12 km. The spectra from both fires clearly show features due to water vapor, carbon dioxide, carbon monoxide, ammonia, methanol, formic acid, and ethylene at significantly higher abundance and temperature than observed in downlooking spectra of normal atmospheric and ground conditions. Column densities are derived for several species, and molar ratios are compared with previous biomass fire measurements. We believe that this is the first time such data have been acquired by airborne spectral remote sensing.

  19. Airborne Infrared Spectroscopy of 1994 Western Wildfires

    NASA Technical Reports Server (NTRS)

    Worden, Helen; Beer, Reinhard; Rinsland, Curtis P.

    1997-01-01

    In the summer of 1994 the 0.07/ cm resolution infrared Airborne Emission Spectrometer (AES) acquired spectral data over two wildfires, one in central Oregon on August 3 and the other near San Luis Obispo, California, on August 15. The spectrometer was on board a NASA DC-8 research aircraft, flying at an altitude of 12 km. The spectra from both fires clearly show features due to water vapor, carbon dioxide, carbon monoxide, ammonia, methanol, formic acid, and ethylene at significantly higher abundance and temperature than observed in downlooking spectra of normal atmospheric and ground conditions. Column densities are derived for several species, and molar ratios are compared with previous biomass fire measurements. We believe that this is the first time such data have been acquired by airborne spectral remote sensing.

  20. Infrared spectroscopy of simulated Martian surface materials

    NASA Technical Reports Server (NTRS)

    Toon, O. B.; Sagan, C.

    1978-01-01

    Mineralogy inferred from the Viking X-ray fluorescence spectrometry (XRFS) is compared with mineralogy indicated by spectral data. The comparison is done by taking laboratory spectra of Viking analog minerals. Both XRFS and infrared data are consistent with clays as the dominant SiO2 containing minerals on Mars. The X-ray fluorescence data might also be consistent with the dominance of certain mafic SiO2 igneous minerals, but the spectral data are probably inconsistent with such materials. Sulfates, inferred by XRFS, are consistent with the spectral data. Inferences following Mariner 9 that high-SiO2 minerals were important on Mars may have been biased by the presence of sulfates. Calcium carbonate, in the quantities indirectly suggested by XRFS are inconsistent with the spectral data, but smaller quantities of CaCO3 are consistent, as are large quantities of other carbonates.

  1. Computing protein infrared spectroscopy with quantum chemistry.

    PubMed

    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.

  2. Bird sexing by Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    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.

  3. Infrared microcalorimetric spectroscopy using uncooled thermal detectors

    NASA Astrophysics Data System (ADS)

    Datskos, Panos G.; Rajic, Slobodan; Datskou, Irene; Egert, Charles M.

    1997-10-01

    We have investigated a novel IR microcalorimetric spectroscopy technique that can be used to detect the presence of trace amounts of target molecules. The chemical detection is accomplished by obtaining the IR photothermal spectra of molecules absorbed on the surface of an uncooled thermal detector. Traditional gravimetric based chemical detectors require highly selective coatings to achieve chemical specificity. In contrast, IR microcalorimetric based detection requires only moderately specific coatings since the specificity is a consequence of the photothermal spectrum. We have obtained IR photothermal spectra for trace concentrations of chemical analytes including diisopropyl methylphosphonate (DIMP), 2-mercaptoethanol and trinitrotoluene (TNT) over the wavelength region 2.5 to 14.5 micrometers . We found that in the wavelength region 2.5 to 14.5 micrometers DIMP exhibits two strong photothermal peaks. The photothermal spectra of 2-mercaptoethanol and TNT exhibit a number of peaks in the wavelength region 2.5 to 14.5 micrometers and the photothermal peaks for 2-mercaptoethanol are in excellent agreement with IR absorption peaks present in its IR spectrum. The photothermal response of chemical detectors based on microcalorimetric spectroscopy has been found to vary reproducibly and sensitively as a consequence of adsorption of small number of molecules on a detector surface followed by photon irradiation and can be used for improved chemical characterization.

  4. Time-resolved spectroscopy of the fluorescence quenching of a donor — acceptor pair by halothane

    NASA Astrophysics Data System (ADS)

    Sharma, A.; Draxler, S.; Lippitsch, M. E.

    1992-04-01

    Donor (anthracene) sensitized acceptor (perylene) fluorescence is quenched more efficiently by halothane than is intrinsic perylene fluorescence. The underlying process of dynamic fluorescence quenching is investigated by time-resolved fluorescence spectroscopy.

  5. Spatially resolved infrared spectra of F109 turbofan exhaust

    NASA Astrophysics Data System (ADS)

    Harley, Jacob L.; Rolling, August J.; Wisniewski, Charles F.; Gross, Kevin C.

    2012-06-01

    There is a strong interest in diagnosing engine performance problems and maintenance needs using optical techniques instead of expensive, time-consuming mechanical inspection. A Telops Hyper-Cam MWIR imaging Fourier-transform spectrometer collected spectrally-resolved images of jet exhaust from an F109 turbofan engine operating at 53%, 82%, and 88% of maximum RPM. This work attempts to discern what information content about the turbulent jet flow field is revealed in the measured spectra. The spectrum is examined and simulated, a radial and axial temperature mapping of the plume is presented, and a turbulent temporal and spatial analysis method is demonstrated. Spectral simulation of a pixel centered at nozzle exit finds volume mixing fractions of 3.3% H2O and 2.8% CO2 and an exhaust temperature of 560K with the engine at 82%. A single, high frequency turbulent feature is mapped and tracked over several frames. Velocity of this feature, based on the 2.86kHz camera frame rate and 0.067cm2 per pixel spatial resolution, is approximately 176m/s and compares favorably with an estimate based on the measured mass flow rate. This effort is a proof of concept and intended to justify qualitative analysis of a more controlled and characterized turbulent source in future work.

  6. Resolved Star Formation Law In Nearby Infrared-bright Galaxies

    NASA Astrophysics Data System (ADS)

    Rahman, Nurur; Bolatto, A.; Wong, T.; Leroy, A.; Ott, J.; Calzetti, D.; Blitz, L.; Walter, F.; Rosolowsky, E.; West, A.; Vogel, S.; Bigiel, F.; Xue, R.

    2009-05-01

    An accurate knowledge of star formation law is crucial to make progress in understanding galaxy formation and evolution. We are studying this topic using CARMA STING (Survey Toward Infrared-bright Nearby Galaxies), an interferometric CO survey of a sample of 27 star-forming nearby galaxies with a wealth of multi-wavelength data designed to study star formation in environments throughout the blue sequence at sub-kpc scales. We present results for NGC 4254 (M99), one of our sample galaxies. We construct star formation rate surface density (SFRSD) and gas (atomic and molecular) surface density indicators using a combination of high resolution data from CARMA, KPNO, Spitzer, IRAM and VLA. We find a tight correlation between SFRSD and molecular gas surface density (MGSD), whereas the relation between atomic gas surface density and SFRSD shows very large scatter. Within the central 6 kpc (radius) where CARMA is the most sensitive the MGSD derived from CO(1-0) and CO(2-1) shows similar trend, however, in the extended disk the slope, derived from CO(2-1) data alone, gets steeper.

  7. On-chip near-infrared spectroscopy of CO2 using high resolution plasmonic filter array

    NASA Astrophysics Data System (ADS)

    Chong, Xinyuan; Li, Erwen; Squire, Kenneth; Wang, Alan X.

    2016-05-01

    We report an ultra-compact, cost-effective on-chip near-infrared spectroscopy system for CO2 sensing using narrow-band optical filter array based on plasmonic gratings with a waveguide layer. By varying the periodicity of the gratings, the transmission spectra of the filters can be continuously tuned to cover the 2.0 μm sensing window with high spectral resolution around 10 nm. Our experimental results show that the on-chip spectroscopy system can resolve the two symmetric vibrational bands of CO2 at 2.0 μm wavelength, which proves its potential to replace the expensive commercial IR spectroscopy system for on-site gas sensing.

  8. Spatially Resolved Spectroscopy of the SNR IC443

    NASA Technical Reports Server (NTRS)

    Gorenstein, P.

    1998-01-01

    investigators examined the spatial structure of the thermal component and analyzed the GIS spectra with a non-equilibrium plasma model, and found no systematic variation of the interstellar absorption across the remnant. Evidence for shock acceleration of cosmic rays to high energies (10 TeV) was found by Keohane. X-ray imaging spectroscopy with ASCA reveals two regions of particularly hard emission: an unresolved source embedded in an extended emission region, and a ridge of emission coincident with the southeastern rim. Both features are located on part of the radio shell where the shock wave is interacting with molecular gas, and together they account for a majority of the emission at 7 keV. Though we would not have noticed it a priori, the unresolved feature is coincident with one resolved by the ROSAT HRI. The ASCA measurements were combined with higher energy data from the XTE and GRO missions and with radio and TeV gamma-ray data to produce a nonthermal multiwavelength spectrum for IC 443 which was fit with a cosmic ray interaction model. This model calculates the cynchrotron, bremsstrahlung, invers Compton, and neutral pion decay emission produced by locally accelerated cosmic ray interacting with ambient matter, soft photon fields, and magnetic fields.

  9. Spatially Resolved Spectroscopy of the SNR IC443

    NASA Astrophysics Data System (ADS)

    Gorenstein, P.

    1998-07-01

    investigators examined the spatial structure of the thermal component and analyzed the GIS spectra with a non-equilibrium plasma model, and found no systematic variation of the interstellar absorption across the remnant. Evidence for shock acceleration of cosmic rays to high energies (10 TeV) was found by Keohane. X-ray imaging spectroscopy with ASCA reveals two regions of particularly hard emission: an unresolved source embedded in an extended emission region, and a ridge of emission coincident with the southeastern rim. Both features are located on part of the radio shell where the shock wave is interacting with molecular gas, and together they account for a majority of the emission at 7 keV. Though we would not have noticed it a priori, the unresolved feature is coincident with one resolved by the ROSAT HRI. The ASCA measurements were combined with higher energy data from the XTE and GRO missions and with radio and TeV gamma-ray data to produce a nonthermal multiwavelength spectrum for IC 443 which was fit with a cosmic ray interaction model. This model calculates the cynchrotron, bremsstrahlung, invers Compton, and neutral pion decay emission produced by locally accelerated cosmic ray interacting with ambient matter, soft photon fields, and magnetic fields.

  10. Infrared Crystallography: Structural Refinement Through Spectroscopy

    NASA Astrophysics Data System (ADS)

    Sage, J. T.; Jee, W.

    1996-03-01

    Polarized IR measurements on single crystals yield the orientation of vibrational transition dipoles. In favorable cases, this determines the orientation of bonds assigned to well-resolved, vibrationally isolated stretching modes with greater precision than the macromolecular structure refined from diffraction data. We will present detailed measurements of the orientation of small ligands bound at the heme sites of myoglobin (Mb) crystals, including CO, CN^-, and N_3^-. As reported previously, we find that in MbCO crystals CO is displaced less than 10^circ from the heme normal (Ivanov et al., JACS 116, 4139 (1994)), probably 7^circ in a direction between pyrroles C and D. This result contradicts X-ray and neutron structures of P21 MbCO crystals, which show CO displaced in various directions by more than 30^circ. Recent picosecond photoselection measurements (Lim et al., Science 269, 962 (1995)) have confirmed that the CO lies within 7^circ of the heme normal in solution, but do not reveal the direction of tilt.

  11. SPATIALLY RESOLVED IMAGING AND SPECTROSCOPY OF CANDIDATE DUAL ACTIVE GALACTIC NUCLEI

    SciTech Connect

    McGurk, R. C.; Max, C. E.; Medling, A. M.; Shields, G. A.; Comerford, J. M. E-mail: max@ucolick.org E-mail: shields@lfastro.org

    2015-09-20

    When galaxies merge, both central supermassive black holes are immersed in a dense and chaotic environment. If there is sufficient gas in the nuclear regions, one expects to see close pairs of active galactic nuclei (AGNs), or dual AGNs, in a fraction of galaxy mergers. However, finding them remains a challenge. The presence of double-peaked [O iii] emission lines has been proposed as a technique to select dual AGNs efficiently. We studied a sample of double-peaked narrow [O iii] emitting AGNs from Sloan Digital Sky Survey (SDSS) DR7. By obtaining new and archival high spatial resolution images taken with the Keck II Laser Guide Star Adaptive Optics system and the near-infrared camera NIRC2, we show that 30% of 140 double-peaked [O iii] emission line SDSS AGNs have two spatial components within a 3″ radius. However, spatially resolved spectroscopy or X-ray observations are needed to confirm these galaxy pairs as systems containing two AGNs. We followed up three spatially double candidate dual AGNs with integral field spectroscopy from Keck OSIRIS and 10 candidates with long-slit spectroscopy from the Shane Kast Double Spectrograph at Lick Observatory. We find that the double-peaked emission lines in our sample of 12 candidates are caused by: one dual AGN (SDSS J114642.47+511029.6), one confirmed outflow and four likely outflows, two pairs of star-forming galaxies, one candidate indeterminate due to sky line interference, and three AGNs with spatially coincident double [O iii] peaks, likely due to unresolved complex narrow line kinematics, outflows, binary AGN, or small-scale jets.

  12. Spatially Resolved Imaging and Spectroscopy of Candidate Dual Active Galactic Nuclei

    NASA Astrophysics Data System (ADS)

    McGurk, R. C.; Max, C. E.; Medling, A. M.; Shields, G. A.; Comerford, J. M.

    2015-09-01

    When galaxies merge, both central supermassive black holes are immersed in a dense and chaotic environment. If there is sufficient gas in the nuclear regions, one expects to see close pairs of active galactic nuclei (AGNs), or dual AGNs, in a fraction of galaxy mergers. However, finding them remains a challenge. The presence of double-peaked [O iii] emission lines has been proposed as a technique to select dual AGNs efficiently. We studied a sample of double-peaked narrow [O iii] emitting AGNs from Sloan Digital Sky Survey (SDSS) DR7. By obtaining new and archival high spatial resolution images taken with the Keck II Laser Guide Star Adaptive Optics system and the near-infrared camera NIRC2, we show that 30% of 140 double-peaked [O iii] emission line SDSS AGNs have two spatial components within a 3″ radius. However, spatially resolved spectroscopy or X-ray observations are needed to confirm these galaxy pairs as systems containing two AGNs. We followed up three spatially double candidate dual AGNs with integral field spectroscopy from Keck OSIRIS and 10 candidates with long-slit spectroscopy from the Shane Kast Double Spectrograph at Lick Observatory. We find that the double-peaked emission lines in our sample of 12 candidates are caused by: one dual AGN (SDSS J114642.47+511029.6), one confirmed outflow and four likely outflows, two pairs of star-forming galaxies, one candidate indeterminate due to sky line interference, and three AGNs with spatially coincident double [O iii] peaks, likely due to unresolved complex narrow line kinematics, outflows, binary AGN, or small-scale jets.

  13. Infrared Spectroscopy of Black Hole Candidates

    NASA Technical Reports Server (NTRS)

    Colgan, Sean W.; Cotera, A. S.; Maloney, P. R.; Hollenbach, D. J.; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    ISO LWS and SWS observations of the approx. solar mass black hole candidates 1E1740.7-2942 and GRS1758-258 are presented. For 1E1740.7-2942, it has been suggested that the luminosity is provided in whole or part by Bondi-Hoyle accretion from a surrounding black hole (Bally & Leventhal 1991, Nat, 353,234). Maloney et al. (1997, ApJ482, L41) have predicted that detectable far-infrared line emission from [0I] (63 microns), [CII] (158 microns), [SiII] (35 microns) and other lines will arise from black holes which are embedded in molecular clouds. No strong line emission associated with either 1E1740.7-2942 or GRS1758-258 was detected, implying either that 1) these sources are not embedded in dense molecular clouds, or 2) that their average X-ray luminosity over the past 100 years is significantly lower than its current value. The measured upper limits to the line fluxes are compared with the models of Maloney et al.to constrain the properties of the ISM in the vicinity of these X-ray sources.

  14. Infrared Spectroscopy of Black Hole Candidates

    NASA Technical Reports Server (NTRS)

    Colgan, Sean W.; Cotera, A. S.; Maloney, P. R.; Hollenbach, D. J.; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    ISO LWS and SWS observations of the approx. solar mass black hole candidates 1E1740.7-2942 and GRS1758-258 are presented. For 1E1740.7-2942, it has been suggested that the luminosity is provided in whole or part by Bondi-Hoyle accretion from a surrounding black hole (Bally & Leventhal 1991, Nat, 353,234). Maloney et al. (1997, ApJ482, L41) have predicted that detectable far-infrared line emission from [0I] (63 microns), [CII] (158 microns), [SiII] (35 microns) and other lines will arise from black holes which are embedded in molecular clouds. No strong line emission associated with either 1E1740.7-2942 or GRS1758-258 was detected, implying either that 1) these sources are not embedded in dense molecular clouds, or 2) that their average X-ray luminosity over the past 100 years is significantly lower than its current value. The measured upper limits to the line fluxes are compared with the models of Maloney et al.to constrain the properties of the ISM in the vicinity of these X-ray sources.

  15. Space Acquisitions: DOD’s Goals for Resolving Space Based Infrared System Software Problems are Ambitious

    DTIC Science & Technology

    2008-09-01

    Resolving Space Based Infrared System Software Problems Are Ambitious September 2008 GAO-08- 1073 Report Documentation Page Form...click on GAO-08- 1073 . For more information, contact Cristina T. Chaplain at (202) 512-4841 or chaplainc@gao.gov. Highlights of GAO-08- 1073 , a... 1073 SBIRS Software Abbreviations DOD Department of Defense FFRDC

  16. [Identification of pearl powder using microscopic infrared reflectance spectroscopy].

    PubMed

    Zhang, Xuan; Hu, Chao; Yan, Yan; Yang, Hai-Feng; Li, Jun-Fang; Bai, Hua; Xi, Guang-Cheng; Liao, Jie

    2014-09-01

    Pearl is a precious ornament and traditional Chinese medicine, which application history in China is more than 2000 years. It is well known that the chemical ingredients of shell and pearl are very similar, which all of them including calcium carbonate and various amino acids. Generally, shell powders also can be used as medicine; however, its medicinal value is much lower than that of pearl powders. Due to the feature similarity between pearl powders and shell powders, the distinguishment of them by detecting chemical composition and morphology is very difficult. It should be noted that shell powders have been often posing as pearl powders in markets, which seriously infringes the interests of consumers. Identification of pearl powder was investigated by microscopic infrared reflectance spectroscopy, and pearl powder as well as shell powder was calcined at different temperatures for different time before infrared reflectance spectroscopy analysis. The experimental results indicated that when calcined at 400 °C for 30 minutes under atmospheric pressure, aragonite in pearl powder partly transformed into calcite, while aragonite in shell powder completely transformed into calcite. At the same time, the difference in phase transition between the pearl powders 'and shell powders can be easily detected by using the microscopic infrared reflectance spectroscopy. Therefore, based on the difference in their phase transition process, infrared reflectance spectroscopy can be used to identify phase transformation differences between pearl powder and shell powder. It's more meaningfully that the proposed infrared reflectance spec- troscopy method was also investigated for the applicability to other common counterfeits, such as oyster shell powders and abalone shell powders, and the results show that the method can be a simple, efficiently and accurately method for identification of pearl powder.

  17. Infrared Transit Spectroscopy of HD 209458b

    NASA Astrophysics Data System (ADS)

    Harrington, J.; Deming, D.; Goukenleuque, C.; Matthews, K.; Richardson, L. J.; Steyert, D.; Wiedemann, G.; Zeehandelaar, D.

    We measure spectra during transits of planet HD 209458b in front of its star to determine its composition and temperature. Transits should modulate the stellar spectrum because tangent rays of different wavelengths become extinct at different levels in the extrasolar planet atmosphere, changing the occulting area. S/N calculations show that ground-based spectroscopy can measure or place useful limits on the atmospheric abundances of water, methane, and carbon monoxide. Carbon forms predominantly methane below 1400 K and carbon monoxide if hotter. Since the equilibrium temperature is about 1400 K, detecting methane and/or carbon monoxide would constrain atmospheric temperatures. We have observed on 12 transit and 4 non-transit nights from Palomar, Keck, VLT, and IRTF. The expected modulation of the stellar spectrum is model-dependent. Since the effect is subtle compared to the noise in the data, we correlate model vs. observed spectra and average the correlations to test whether the data support a given model. We are developing a tangent-geometry radiative-transfer model to predict the spectrum of a given planetary model, and we are measuring water, methane, and carbon monoxide in the laboratory at 1300 K, with pressure-broadening by molecular hydrogen, to make our model spectra realistic at these elevated temperatures. We solicit participation by those who wish to test their planetary models.

  18. Near Infrared Laser Spectroscopy of Scandium Monobromide

    NASA Astrophysics Data System (ADS)

    Xia, Ye; Cheung, A. S.-C.; Liao, Zhenwu; Yang, Mei; Chan, Man-Chor

    2012-06-01

    High resolution laser spectrum of scandium monobromide (ScBr) between 787 and 845 nm has been investigated using the technique of laser vaporization/reaction with free jet expansion and laser induced fluorescence spectroscopy. ScBr was produced by reacting laser vaporized Sc atoms with ethyl bromide (C2H5Br). Spectra of six vibrational bands of both Sc79Br and Sc81Br isotopomers of the C1 Σ+ - X1 Σ+ transition and seven vibrational bands of the e3 Δ - a3 Δ transition were obtained and analyzed. Least-squares fit of the measured line positions for the singlet transitions yielded accurate molecular constants for the v = 0 - 3 levels of the C1 Σ+ state and the v = 0 - 2 levels of the X1 Σ+ state. Similar least-squares fit for the triplet transitions yielded molecular constants for the v = 0 - 2 levels of both e3 Δ and a3 Δ states. The equilibrium bond length, r_0, of the a3 Δ state has been determined to be 2.4789 Å. Financial support from the Research Grants Council of the Hong Kong Special Administrative Region, China (Project No. HKU 701008P) is gratefully acknowledged

  19. Emerging techniques for soil analysis via mid-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Linker, R.; Shaviv, A.

    2009-04-01

    Transmittance and diffuse reflectance (DRIFT) spectroscopy in the mid-IR range are well-established methods for soil analysis. Over the last five years, additional mid-IR techniques have been investigated, and in particular: 1. Attenuated total reflectance (ATR) Attenuated total reflectance is commonly used for analysis of liquids and powders for which simple transmittance measurements are not possible. The method relies on a crystal with a high refractive index, which is in contact with the sample and serves as a waveguide for the IR radiation. The radiation beam is directed in such a way that it hits the crystal/sample interface several times, each time penetrating a few microns into the sample. Since the penetration depth is limited to a few microns, very good contact between the sample and the crystal must be ensured, which can be achieved by working with samples close to water saturation. However, the strong absorbance of water in the mid-infrared range as well as the absorbance of some soil constituents (e.g., calcium carbonate) interfere with some of the absorbance bands of interest. This has led to the development of several post-processing methods for analysis of the spectra. The FTIR-ATR technique has been successfully applied to soil classification as well as to determination of nitrate concentration [1, 6-8, 10]. Furthermore, Shaviv et al. [12] demonstrated the possibility of using fiber optics as an ATR devise for direct determination of nitrate concentration in soil extracts. Recently, Du et al. [5] showed that it is possible to differentiate between 14N and 15N in such spectra, which opens very promising opportunities for developing FTIR-ATR based methods for investigating nitrogen transformation in soils by tracing changes in N-isotopic species. 2. Photo-acoustic spectroscopy Photoacoustic spectroscopy (PAS) is based on absorption-induced heating of the sample, which produces pressure fluctuations in a surrounding gas. These fluctuations are

  20. NEWS: the near-infrared Echelle for wideband spectroscopy

    NASA Astrophysics Data System (ADS)

    Veyette, Mark J.; Muirhead, Philip S.; Hall, Zachary J.; Taylor, Brian; Ye, Jimmy

    2016-08-01

    We present an updated optical and mechanical design of NEWS: the Near-infrared Echelle for Wide-band Spectroscopy (formerly called HiJaK: the High-resolution J, H and K spectrometer), a compact, high-resolution, near-infrared spectrometer for 5-meter class telescopes. NEWS provides a spectral resolution of 60,000 and covers the full 0.8-2.5 μm range in 5 modes. We adopt a compact, lightweight, monolithic design and have developed NEWS to be mounted to the instrument cube at the Cassegrain focus of the new 4.3-meter Discovery Channel Telescope.

  1. AO imaging and infrared spectroscopy of exoplanet host stars

    NASA Astrophysics Data System (ADS)

    Skillen, I.; Pollacco, D.

    2013-05-01

    The telescopes of the ORM, La Palma have gained a worldwide reputation in the discovery and characterisation of exoplanets, which demonstrates the powerful synergy that exists between small, mid-size and large facilities such as SuperWASP, the WHT and GTC, in this rapidly evolving field. We outline a WHT programme of near-infrared adaptive optics imaging with NAOMI/INGRID, and near-infrared spectroscopy with LIRIS, of exoplanet host stars to search for associated stellar and brown dwarf companions.

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    Monoclinic antiferromagnetic NiWO4 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 CoWO4 and ZnWO4 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 NiWO4 and CoWO4 below their Neel temperatures down to 5 K.

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

    NASA Astrophysics Data System (ADS)

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

    2013-11-01

    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.

  4. Spectrally resolved femtosecond photon echo spectroscopy of astaxanthin

    NASA Astrophysics Data System (ADS)

    Kumar, Ajitesh; Karthick Kumar, S. K.; Gupta, Aditya; Goswami, Debabrata

    2011-08-01

    We have studied the coherence and population dynamics of Astaxanthin solution in methanol and acetonitrile by spectrally resolving their photon echo signals. Our experiments indicate that methanol has a much stronger interaction with the ultrafast dynamics of Astaxanthin in comparison to that of acetonitrile.

  5. Spectrally resolved femtosecond photon echo spectroscopy of astaxanthin

    NASA Astrophysics Data System (ADS)

    Kumar, Ajitesh; Karthick Kumar, S. K.; Gupta, Aditya; Goswami, Debabrata

    2010-12-01

    We have studied the coherence and population dynamics of Astaxanthin solution in methanol and acetonitrile by spectrally resolving their photon echo signals. Our experiments indicate that methanol has a much stronger interaction with the ultrafast dynamics of Astaxanthin in comparison to that of acetonitrile.

  6. REsolved Spectroscopy Of a Local VolumE: The RESOLVE Survey in Stripe 82

    NASA Astrophysics Data System (ADS)

    Kannappan, Sheila; Eckert, Kathleen; Norman, Dara; Norris, Mark; Hoversten, Erik; Stark, David; Moffett, Amanda; Baker, Ashley D.; Berlind, Andreas A.; Crawford, Steve; Damjanov, Ivana; Dell'Antonio, Ian; Gonzalez, Roberto; Hall, Kirsten; Khochfar, Sadegh; Leroy, Adam; Lu, Yu; Maraston, Claudia; McGaugh, Stacy; Naluminsa, Liz; Salzer, John J.; Sellwood, Jerry A.; Vaisanen, Petri; Watson, Linda

    2013-08-01

    We request 14 nights of gray/dark time with the Goodman Spectrograph on SOAR and 88 hours of gray/dark time with the GMOS IFU on Gemini over two semesters to complete Phase 1 of the RESOLVE survey, providing a volume-limited gas, stellar, and dynamical mass census in the exceptionally complete Stripe 82 legacy equatorial strip. RESOLVE spans diverse large-scale cosmic structures and probes mass scales down to ~10^9 Msun in the gas-rich dwarf galaxy regime. With the proposed census, RESOLVE will (1) provide the first direct, complete, and environment-dependent measurement of the velocity function, potentially uncovering crucial clues to puzzling discrepancies in the dwarf galaxy inventory, and (2) put a unique constraint on the location of the ``missing baryons,'' via a comprehensive census of multiple mass components in relation to star formation and dynamical mass in a cosmological volume.

  7. Using high energy angle resolved photoelectron spectroscopy to reveal the charge density in solids.

    PubMed

    Månsson, M; Claesson, T; Finazzi, M; Dallera, C; Brookes, N B; Tjernberg, O

    2008-11-28

    The charge density in solids is a fundamental parameter. Here we demonstrate that the charge density can be determined by the use of angle resolved photoelectron spectroscopy. The method, which involves a Fourier-like transform from momentum space to real space, is demonstrated by utilizing soft x-ray angle resolved photoelectron spectroscopy to sample the complete three-dimensional Brillouin zone of copper. It is also shown that this can be done in an energy resolved way as to extract the charge density contribution from states of a particular energy.

  8. Titan's Propane from Cassini Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Nixon, C. A.; Jennings, D. E.; Flaud, J.-M.; Bezard, B.; Teanby, N. A.; Irwin, P. G. J.; Ansty, T. M.; Coustenis, A.; Flasar, F. M.

    2009-04-01

    Propane gas (C3H8) was first detected in the atmosphere of Titan by the Voyager 1 IRIS spectrometer, during the 1980 encounter (Maguire et al., 1981), and remains the heaviest saturated hydrocarbon (alkane) found there to date. Although the identification was based on the detection of several bands (including 748, 922, 1054, 1158 cm-1), only the ν26 band at 748 cm-1 has been subsequently modeled to retrieve the abundance, due to the unique availability of its line parameters in the GEISA database (Husson et al. 1992). Subsequent measurements from the ground (Roe et al., 2003) and Earth-orbit (ISO - Coustenis et al. 2003) have also focused on this one band, deriving an abundance of ~0.5 ppm, although it remains compromised by coincidence with the R-branch of the much stronger acetylene (C2H2) gas. The Composite Infrared Spectrometer (CIRS) instrument carried on-board the Cassini spacecraft in Saturn orbit has now been observing Titan during more than 50 flybys over 5 years, and offers a fresh perspective on the prevalence of propane. With much improved spectral and spatial resolution and sensitivity over IRIS, CIRS is also able to perform repeated limb sounding (viewing through the atmosphere above the surface) to increase signal-to-noise still further. Modeling and removal of the emissions of other gases now shows clearly for the first time a multitude of propane bands: including the four seen by IRIS and at least four others (869, 1338, 1376, 1472 cm-1). In addition, a new line atlas for three bands of propane at shorter wavelengths (1300-1500 cm-1) has now been compiled, based on the work of Flaud et al. (2001). With this, we now have the potential to model these weaker bands, and to check the measurements made by CIRS using the 748 cm-1 band alone. Preliminary analysis has shown that the retrievals are very sensitive to the spectral baseline (haze model) assumed, and that existing lab tholin spectral properties (Khare et al. 1984) do not well match the opacity

  9. [Study on the wood grading by near infrared spectroscopy].

    PubMed

    Wang, Xiao-Xu; Huang, An-Min; Yang, Zhong; Yang, Yao

    2011-04-01

    The present paper discussed wood grading according to modulus of rupture (MOR) by near infrared (NIR) spectroscopy. The calibration model was built between MOR of wood and NIR data in the range of 1 000-1 400 nm with partial least square regression (PLS). The correlation coefficient (r) was 0.89 and the standard error of calibration (SEC) was 6.30 MPa. The MOR of 35 unknown samples was predicted using the model. Wood samples were graded according to their predicted values and true values. The rate of right prediction for A, B and C was 75.0%, 91.3% and 80.0% respectively, and the whole rate of right prediction was 88.6%. The result has proved that near infrared spectroscopy is a fast method for the determination of wood grade in the small clear samples.

  10. Imperial College near infrared spectroscopy neuroimaging analysis framework.

    PubMed

    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.

  11. Noninvasive detection of gas exchange rate by near infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Xu, Guodong; Mao, Zongzhen; Wang, Bangde

    2008-12-01

    In order to study the relationship among the oxygen concentration in skeletal muscle tissues and the heart rate (HR), oxygen uptake (VO2), respiratory exchange ratio (RER) during incremental running exercises on a treadmill, a near-infrared spectroscopy muscle oxygen monitor system is employed to measure the relative change in muscle oxygenation, with the heart rate, oxygen uptake, production of carbon dioxide (VCO2) and respiratory exchange ratio are recorded synchronously. The results indicate parameters mentioned above present regular changes during the incremental exercise. High correlations are discovered between relative change of oxy-hemoglobin concentration and heart rate, oxygen uptake, respiratory exchange ratio at the significance level (P=0.01). This research might introduce a new measurement technology and/or a novel biological monitoring parameter to the evaluation of physical function status, control the training intensity, estimation of the effectiveness of exercise. Keywords: near-infrared spectroscopy; muscle oxygen concentration; heart rate; oxygen uptake; respiratory exchange ratio.

  12. Infrared Spectroscopy Study of the SP-250 Epoxy Resin System.

    DTIC Science & Technology

    1984-07-01

    It necessary and identify by block nambo,) Epoxy resins Dicyandiamide 4 Curing agents Infrared spectroscopy Monuron 20. ABSTRACT (Crntimse on revse...investigation, the mixtures containing Monuron were cured at 130 0 C and those con- sisting of dicyandiamide and having "no Monuron" were hardened at 2000...uncured specimens were meas- ured from 4000 cm- 1 to 400 cm- I . DISCUSSION AND RESULTS The accelerated cure of dicyandiamide (Dicy)-containing epoxy resins

  13. [Near infrared spectroscopy study on water content in turbine oil].

    PubMed

    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.

  14. Spectroscopy of Metamaterials from Infrared to Optical Frequencies

    DTIC Science & Technology

    2006-03-01

    negative permeability,” Phys. Rev. Lett. 94, 37402 (2005). 14. F . Wooten , Optical Properties of Solids (Academic, 1972). 15. For example, see M. Born...for materials with differ- ent symmetry properties of the constitutive relations. The terms and are called the magneto- optical permittivi- ties...Spectroscopy of metamaterials from infrared to optical frequencies Willie J. Padilla Materials Science and Technology Division, Center for Integrated

  15. Static and time-resolved optical spectroscopy on Lithium Iridate

    NASA Astrophysics Data System (ADS)

    Koralek, Jake; Hinton, Jamie; Patankar, Shreyas; Orenstein, Joe; Smidt, Tess; Breznay, Nicholas; Nair, Nityan; Analytis, James

    2014-03-01

    We use FTIR and pump-probe spectroscopy to study lithium iridates. The IR spectrum shows an anomalous peak which emerges as temperature is reduced and is highly anisotropic in the ab-plane polarization. In the time-domain we observe similarly anisotropic reflectivity transients whose multiple dynamic components evolve as temperature is reduced.

  16. Gold nanoparticle mediated graphene plasmon for broadband enhanced infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Peng, Lilan; Zhang, Lei; Yuan, Jian; Chen, Chen; Bao, Qiaoliang; Qiu, Cheng-Wei; Peng, Zeping; Zhang, Kai

    2017-06-01

    Graphene plasmonics, with dynamic tunable resonance wavelength, has been successfully used in broadband plasmon-enhanced infrared spectroscopy. However, the requirement for external voltage loading makes the practical application sophisticated. In this work, the hybrid structure of graphene nanodot array (GNA) and gold nanoparticles (AuNPs) has been proposed as a passive platform for broadband infrared absorption enhancement. Numerical simulations show that the plasmon resonance peak of GNA becomes stiffer and broader when introducing AuNPs, and this is also proved by experimental results that the vibrational modes of polyethylene oxide molecule in a broad spectral range can be simultaneously enhanced. The metal-graphene hybrid plasmonic system has been proved to be a promising candidate for infrared sensing, which is significant for safety and healthy applications.

  17. [Infrared spectroscopy and XRD studies of coral fossils].

    PubMed

    Chen, Quan-li; Zhou, Guan-min; Yin, Zuo-wei

    2012-08-01

    Coral fossil is an old remain of multicellular animal on the earth, and formed by various geological processes. The structural characteristics and compositions of the coral fossils with different color and radial texture on the surface were studied by infrared absorption spectroscopy and X-ray powder diffraction analyses. The results show that the studied coral fossils mainly are composed of SiO2, and the radial microstructure characterized by the calcareous coral cross-section is preserved. It is formed by metasomatism by SiO2. The infrared absorption spectra of the coral fossil with different color and texture are essentially the same, showing typical infrared absorption spectra of the quartz jade. XRD analysis shows that the main components of the coral fossils with different color and texture are consistent and mainly composed of SiO2 with a trace amount of other minerals and without CaCO3.

  18. Adulteration screening of botanical materials by a sensitive and model-free approach using infrared spectroscopic imaging and two-dimensional correlation infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Chen, Jian-bo; Zhou, Qun; Sun, Su-qin

    2016-11-01

    Infrared (IR) spectroscopy is often used as a simple, fast, and green method for the adulteration screening of botanical materials for foods and herbs. However, the overlapping of absorption signals of various substances significantly decrease the sensitivity and specificity of IR spectroscopy in the detection of adulterated samples. In this research, a model-free approach is proposed for the sensitive and non-targeted screening of botanical materials adulterated by adding other plant materials. First, the spectra of the entities in the test sample are collected by near-infrared spectroscopic imaging and clustered by unsupervised pattern recognition methods. The sample may be adulterated if there are two or more clusters of the entities. Next, the entities of different clusters are characterized by mid-infrared spectroscopy to interpret the chemical compositions to determine the clustering is caused whether by adulteration or other reasons. Second derivative spectroscopy and two-dimensional correlation spectroscopy are often needed to resolve the overlapped bands mathematically or experimentally to find the characteristic signals to identify the authentic and adulterant entities. The feasibility of this approach was proved by the simulated adulterated sample of saffron. In conclusion, botanical materials adulterated by adding other plant materials can be detected by a simple, fast, sensitive, and green screening approach using IR spectroscopic imaging, two-dimensional correlation spectroscopy, and necessary chemometrics techniques.

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

    PubMed Central

    Ahmed, Amr Shebl; Kim, Hye Jin; Kim, Jinsik; Hwang, Kyo Seon; Kim, Seonghwan

    2017-01-01

    A lead zirconate titanate (PZT;Pb(Zr0.52Ti0.48)O3) 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. PMID:28425964

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

    PubMed

    Ahmed, Amr Shebl; Kim, Hye Jin; Kim, Jinsik; Hwang, Kyo Seon; Kim, Seonghwan

    2017-04-20

    A lead zirconate titanate (PZT;Pb(Zr0.52Ti0.48)O₃) 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.

  1. RESOLVED SPECTROSCOPY OF A BROWN DWARF BINARY AT THE T DWARF/Y DWARF TRANSITION

    SciTech Connect

    Burgasser, Adam J.; Gelino, Christopher R.; Kirkpatrick, J. Davy; Cushing, Michael C.

    2012-01-20

    We report resolved near-infrared imaging and spectroscopic observations of the T8.5 binary WISEP J045853.90+643452.6AB obtained with Keck/NIRC2, Keck/OSIRIS, and the Keck Laser Guide Star Adaptive Optics system. These data confirm common proper and radial motion for the two components, and we see the first indications of orbital motion (mostly radial) for this system. H-band spectroscopy identifies both components as very late type brown dwarfs with strong H{sub 2}O and CH{sub 4} absorption. The spectrum of WISE J0458+6434B also exhibits a compelling signature of NH{sub 3} absorption over 1.52-1.54 {mu}m when compared to the T9 dwarf UGPS J072227.51-054031.2. Comparison to T8-Y0 spectral standards and H-band spectral indices indicate classifications of T8.5 and T9.5 for these two components, approaching the boundary between the T dwarf and Y dwarf spectral classes.

  2. Measurement of the optical properties of rat brain tissue using contact spatially resolved spectroscopy

    NASA Astrophysics Data System (ADS)

    Gysbrechts, Barbara; Nguyen Do Trong, Nghia; Wang, Ling; Cabral, Henrique; Navratilova, Zaneta; Battaglia, Francesco P.; Saeys, Wouter; Bartic, Carmen

    2014-05-01

    Nowadays, biophotonics is widely used in neuroscience. The effectiveness of biophotonic techniques, such as fluorescence imaging and optogenetics, is affected by the optical properties of the examined tissue. Therefore, knowledge of these properties is essential to carefully plan experiments. Mice and rats are widely used in neuroscience studies. However, reports about optical properties of their brains are very rare. We measured optical absorption μa and reduced scattering μ's coefficients of native rat brain in the visible and near-infrared wavelength region, using contact spatially resolved spectroscopy (SRS). In this study, we estimate μa and μ's for the rat cortex and discuss their stability in time. Additionally, variations in optical properties within and between samples were characterized. The results extend the range of known optical properties for the rat cortex, especially in the visible range, relevant to optogenetics. μa and μ's are stable within a time span of four hours, and show low variation in and between brain samples. This indicates that a suitable protocol was used to estimate optical properties of rodent brain tissue. Since contact SRS is a non-destructive method, this technique could be used also to measure μa and μ's in living animals. Moreover, the probe has small dimensions, allowing the characterization of optical properties in different structures of the brain.

  3. Ultrafast carrier dynamics in Ge by ultra-broadband mid-infrared probe spectroscopy.

    PubMed

    Yeh, Tien-Tien; Shirai, Hideto; Tu, Chien-Ming; Fuji, Takao; Kobayashi, Takayoshi; Luo, Chih-Wei

    2017-01-11

    In this study, we carried out 800-nm pump and ultra-broadband mid-infrared (MIR) probe spectroscopy with high time-resolution (70 fs) in bulk Ge. By fitting the time-resolved difference reflection spectra [ΔR(ω)/R(ω)] with the Drude model in the 200-5000 cm(-1) region, the time-dependent plasma frequency and scattering rate have been obtained. Through the calculation, we can further get the time-dependent photoexcited carrier concentration and carrier mobility. The Auger recombination essentially dominates the fast relaxation of photoexcited carriers within 100 ps followed by slow relaxation due to diffusion. Additionally, a novel oscillation feature is clearly found in time-resolved difference reflection spectra around 2000 cm(-1) especially for high pump fluence, which is the Lorentz oscillation lasting for about 20 ps due to the Coulomb force exerted just after the excitation.

  4. Ultrafast carrier dynamics in Ge by ultra-broadband mid-infrared probe spectroscopy

    NASA Astrophysics Data System (ADS)

    Yeh, Tien-Tien; Shirai, Hideto; Tu, Chien-Ming; Fuji, Takao; Kobayashi, Takayoshi; Luo, Chih-Wei

    2017-01-01

    In this study, we carried out 800-nm pump and ultra-broadband mid-infrared (MIR) probe spectroscopy with high time-resolution (70 fs) in bulk Ge. By fitting the time-resolved difference reflection spectra [ΔR(ω)/R(ω)] with the Drude model in the 200-5000 cm-1 region, the time-dependent plasma frequency and scattering rate have been obtained. Through the calculation, we can further get the time-dependent photoexcited carrier concentration and carrier mobility. The Auger recombination essentially dominates the fast relaxation of photoexcited carriers within 100 ps followed by slow relaxation due to diffusion. Additionally, a novel oscillation feature is clearly found in time-resolved difference reflection spectra around 2000 cm-1 especially for high pump fluence, which is the Lorentz oscillation lasting for about 20 ps due to the Coulomb force exerted just after the excitation.

  5. Ultrafast carrier dynamics in Ge by ultra-broadband mid-infrared probe spectroscopy

    PubMed Central

    Yeh, Tien-Tien; Shirai, Hideto; Tu, Chien-Ming; Fuji, Takao; Kobayashi, Takayoshi; Luo, Chih-Wei

    2017-01-01

    In this study, we carried out 800-nm pump and ultra-broadband mid-infrared (MIR) probe spectroscopy with high time-resolution (70 fs) in bulk Ge. By fitting the time-resolved difference reflection spectra [ΔR(ω)/R(ω)] with the Drude model in the 200–5000 cm−1 region, the time-dependent plasma frequency and scattering rate have been obtained. Through the calculation, we can further get the time-dependent photoexcited carrier concentration and carrier mobility. The Auger recombination essentially dominates the fast relaxation of photoexcited carriers within 100 ps followed by slow relaxation due to diffusion. Additionally, a novel oscillation feature is clearly found in time-resolved difference reflection spectra around 2000 cm−1 especially for high pump fluence, which is the Lorentz oscillation lasting for about 20 ps due to the Coulomb force exerted just after the excitation. PMID:28074933

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

    PubMed

    Savara, Aditya; Weitz, Eric

    2014-01-01

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

  7. Ground-based Infrared Spectroscopy of the Extremely Hot Jupiter WASP-12b

    NASA Astrophysics Data System (ADS)

    Crossfield, Ian J. M.; Hansen, B.; Barman, T.

    2012-01-01

    Photometric characterization of transiting extrasolar planets leaves substantial degeneracies in atmospheric composition and structure, but properly calibrated spectroscopy can resolve these uncertainties and provide tighter constraints on atmospheric structure and abundances. Our team is observing transits and eclipses in the near-infrared to obtain spectra of a subset of transiting planets. I will present our tentative detection of the thermal emission spectrum of Hot Jupiter WASP-12b. We seem to confirm the 3,000 K near-infrared brightness temperature but our results are not precise enough to constrain individual molecular features. I will also present results from four transits of the low-mass planet GJ 1214b, which has been claimed to host a cloud-covered or non-H-dominated atmosphere.

  8. Laser plasma x-ray source for ultrafast time-resolved x-ray absorption spectroscopy

    DOE PAGES

    Miaja-Avila, L.; O'Neil, G. C.; Uhlig, J.; ...

    2015-03-02

    We describe a laser-driven x-ray plasma source designed for ultrafast x-ray absorption spectroscopy. The source is comprised of a 1 kHz, 20 W, femtosecond pulsed infrared laser and a water target. We present the x-ray spectra as a function of laser energy and pulse duration. Additionally, we investigate the plasma temperature and photon flux as we vary the laser energy. We obtain a 75 μm FWHM x-ray spot size, containing ~106 photons/s, by focusing the produced x-rays with a polycapillary optic. Since the acquisition of x-ray absorption spectra requires the averaging of measurements from >107 laser pulses, we also presentmore » data on the source stability, including single pulse measurements of the x-ray yield and the x-ray spectral shape. In single pulse measurements, the x-ray flux has a measured standard deviation of 8%, where the laser pointing is the main cause of variability. Further, we show that the variability in x-ray spectral shape from single pulses is low, thus justifying the combining of x-rays obtained from different laser pulses into a single spectrum. Finally, we show a static x-ray absorption spectrum of a ferrioxalate solution as detected by a microcalorimeter array. Altogether, our results demonstrate that this water-jet based plasma source is a suitable candidate for laboratory-based time-resolved x-ray absorption spectroscopy experiments.« less

  9. Laser plasma x-ray source for ultrafast time-resolved x-ray absorption spectroscopy

    PubMed Central

    Miaja-Avila, L.; O'Neil, G. C.; Uhlig, J.; Cromer, C. L.; Dowell, M. L.; Jimenez, R.; Hoover, A. S.; Silverman, K. L.; Ullom, J. N.

    2015-01-01

    We describe a laser-driven x-ray plasma source designed for ultrafast x-ray absorption spectroscopy. The source is comprised of a 1 kHz, 20 W, femtosecond pulsed infrared laser and a water target. We present the x-ray spectra as a function of laser energy and pulse duration. Additionally, we investigate the plasma temperature and photon flux as we vary the laser energy. We obtain a 75 μm FWHM x-ray spot size, containing ∼106 photons/s, by focusing the produced x-rays with a polycapillary optic. Since the acquisition of x-ray absorption spectra requires the averaging of measurements from >107 laser pulses, we also present data on the source stability, including single pulse measurements of the x-ray yield and the x-ray spectral shape. In single pulse measurements, the x-ray flux has a measured standard deviation of 8%, where the laser pointing is the main cause of variability. Further, we show that the variability in x-ray spectral shape from single pulses is low, thus justifying the combining of x-rays obtained from different laser pulses into a single spectrum. Finally, we show a static x-ray absorption spectrum of a ferrioxalate solution as detected by a microcalorimeter array. Altogether, our results demonstrate that this water-jet based plasma source is a suitable candidate for laboratory-based time-resolved x-ray absorption spectroscopy experiments. PMID:26798792

  10. Cerebral oxygenation monitoring during cardiac bypass surgery in infants with broad band spatially resolved spectroscopy

    NASA Astrophysics Data System (ADS)

    Soschinski, Jan; Ben Mine, Lofti; Geraskin, Dmitri; Bennink, Gerardus; Kohl-Bareis, Matthias

    2007-07-01

    Neurological impairments following cardio-pulmonary bypass (CPB) during open heart surgery can result from microembolism and ischaemia. Here we present results from monitoring cerebral haemodynamics during CPB with near infrared spatially resolved broadband spectroscopy. In particular, the study has the objective (a) to monitor oxy- and deoxy-hemoglobin concentrations (oxy-Hb, deoxy-Hb) and their changes as well as oxygen saturation during CPB surgery and (b) to develop and test algorithms for the calculation of these parameters from broad band spectroscopy. For this purpose a detection system was developed based on an especially designed lens imaging spectrograph with optimised sensitivity of recorded reflectance spectra for wavelengths between 600 and 1000 nm. The high f/#-number of 1:1.2 of the system results in about a factor of 10 higher light throughput combined with a lower astigmatism and crosstalk between channels when compared with a commercial mirror spectrometers (f/# = 1:4). For both hemispheres two independent channels each with three source-detector distances (ρ = 25 . 35 mm) were used resulting in six spectra. The broad band approach allows to investigate the influence of the wavelength range on the calculated haemoglobin concentrations and their changes and oxygen saturation when the attenuation A(λ) and its slope ΔA(λ)/Δρ are evaluated. Furthermore, the different depth sensitivities of these measurement parameters are estimated from Monte Carlo simulations and exploited for an optimization of the cerebral signals. It is demonstrated that the system does record cerebral oxygenation parameters during CPB in infants. In particular, the correlation of haemoglobin concentrations with blood supply (flow, pressure) by the heart-lung machine and the significant decreases in oxygen saturation during cardiac arrest is discussed.

  11. Laser plasma x-ray source for ultrafast time-resolved x-ray absorption spectroscopy.

    PubMed

    Miaja-Avila, L; O'Neil, G C; Uhlig, J; Cromer, C L; Dowell, M L; Jimenez, R; Hoover, A S; Silverman, K L; Ullom, J N

    2015-03-01

    We describe a laser-driven x-ray plasma source designed for ultrafast x-ray absorption spectroscopy. The source is comprised of a 1 kHz, 20 W, femtosecond pulsed infrared laser and a water target. We present the x-ray spectra as a function of laser energy and pulse duration. Additionally, we investigate the plasma temperature and photon flux as we vary the laser energy. We obtain a 75 μm FWHM x-ray spot size, containing ∼10(6) photons/s, by focusing the produced x-rays with a polycapillary optic. Since the acquisition of x-ray absorption spectra requires the averaging of measurements from >10(7) laser pulses, we also present data on the source stability, including single pulse measurements of the x-ray yield and the x-ray spectral shape. In single pulse measurements, the x-ray flux has a measured standard deviation of 8%, where the laser pointing is the main cause of variability. Further, we show that the variability in x-ray spectral shape from single pulses is low, thus justifying the combining of x-rays obtained from different laser pulses into a single spectrum. Finally, we show a static x-ray absorption spectrum of a ferrioxalate solution as detected by a microcalorimeter array. Altogether, our results demonstrate that this water-jet based plasma source is a suitable candidate for laboratory-based time-resolved x-ray absorption spectroscopy experiments.

  12. Laser plasma x-ray source for ultrafast time-resolved x-ray absorption spectroscopy

    SciTech Connect

    Miaja-Avila, L.; O'Neil, G. C.; Uhlig, J.; Cromer, C. L.; Dowell, M. L.; Jimenez, R.; Hoover, A. S.; Silverman, K. L.; Ullom, J. N.

    2015-03-02

    We describe a laser-driven x-ray plasma source designed for ultrafast x-ray absorption spectroscopy. The source is comprised of a 1 kHz, 20 W, femtosecond pulsed infrared laser and a water target. We present the x-ray spectra as a function of laser energy and pulse duration. Additionally, we investigate the plasma temperature and photon flux as we vary the laser energy. We obtain a 75 μm FWHM x-ray spot size, containing ~106 photons/s, by focusing the produced x-rays with a polycapillary optic. Since the acquisition of x-ray absorption spectra requires the averaging of measurements from >107 laser pulses, we also present data on the source stability, including single pulse measurements of the x-ray yield and the x-ray spectral shape. In single pulse measurements, the x-ray flux has a measured standard deviation of 8%, where the laser pointing is the main cause of variability. Further, we show that the variability in x-ray spectral shape from single pulses is low, thus justifying the combining of x-rays obtained from different laser pulses into a single spectrum. Finally, we show a static x-ray absorption spectrum of a ferrioxalate solution as detected by a microcalorimeter array. Altogether, our results demonstrate that this water-jet based plasma source is a suitable candidate for laboratory-based time-resolved x-ray absorption spectroscopy experiments.

  13. Resolved spectroscopy of adolescent and infant galaxies (1 < z < 10)

    NASA Astrophysics Data System (ADS)

    Wright, Shelley; IRIS Science Team

    2014-07-01

    The combination of integral field spectroscopy (IFS) and adaptive optics (AO) on TMT will be revolutionary in studying the distant universe. The high angular resolution exploited by an AO system with this large aperture will be essential for studying high-redshift (1 < z < 5) galaxies' kinematics and chemical abundance histories. At even greater distances, TMT will be essential for conducting follow-up spectroscopy of Ly-alpha emission from first lights galaxies (6 < z < 10) and determining their kinematics and morphologies. I will present simulations and sensitivity calculations for high-z and first light galaxies using the diffraction-limited instrument IRIS coupled with NFIRAOS. I will put these simulations in context with current IFS+AO high-z observations and future capabilities with JWST.

  14. Transient infrared spectroscopy of charge transport in emerging photovoltaic materials

    NASA Astrophysics Data System (ADS)

    Jeong, Kwang Seob

    Colloidal quantum dot (CQD) photovoltaic and organic photovoltaic (OPV) materials are promising alternative light absorbers for solar cells. Both CQD photovoltaics and OPVs can be fabricated on flexible substrates using low-cost solution cast fabrication methods at room temperature. Although intense research has been done for the last two decades in both materials, photophysical events underlying the device performance remain unclear. Here, the origin of the charge transport state in PbS CQD solids was explored and identified. The charge transport state was investigated using various optical and electrical methods: ultrafast transient infrared spectroscopy (UFIR), microsecond transient infrared spectroscopy (TRIR), steady state absorption spectroscopy, steady state photoluminescence emission spectroscopy, temperature dependent TRIR, temperature dependent transient photoconductivity and temperature dependent transient short-circuit current measurements. Furthermore, it was found that the mobility-lifetime product, which is dependent on the surface passivation strategy, significantly influences the device performance in CQD solar cells. Additionally, it was examined how the dielectric permittivity influences the photophysics in organic photovoltaic materials in conjunction with device performance. The experiments revealed that the increase of dielectric permittivity leads to enhancement of the mobility-lifetime product. For efficient conversion of excitons into charge carriers, it was suggested that high surface area between electron donor and acceptor materials is necessary. The findings provide better understanding of the fundamental properties of CQD and OPV materials and suggest pathways to improve the efficiency of solar cell based on these materials.

  15. Analytical estimation of solid angle subtended by complex well-resolved surfaces for infrared detection studies.

    PubMed

    Mahulikar, Shripad P; Potnuru, Santosh K; Kolhe, Pankaj S

    2007-08-01

    The solid angle (Omega) subtended by the hot power-plant surfaces of a typical fighter aircraft, on the detector of an infrared (IR) guided missile, is analytically obtained. The use of the parallel rays projection method simplifies the incorporation of the effect of the optical blocking by engine surfaces, on Omega-subtended. This methodology enables the evaluation of the relative contribution of the IR signature from well-resolved distributed sources, and is important for imaging infrared detection studies. The complex 3D surface of a rear fuselage is projected onto an equivalent planar area normal to the viewing aspect, which would give the same Omega-subtended.

  16. Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems.

    PubMed

    Flick, Johannes; Appel, Heiko; Rubio, Angel

    2014-04-08

    We quantify the nonadiabatic contributions to the vibronic sidebands of equilibrium and explicitly time-resolved nonequilibrium photoelectron spectra for a vibronic model system of trans-polyacetylene. Using exact diagonalization, we directly evaluate the sum-over-states expressions for the linear-response photocurrent. We show that spurious peaks appear in the Born-Oppenheimer approximation for the vibronic spectral function, which are not present in the exact spectral function of the system. The effect can be traced back to the factorized nature of the Born-Oppenheimer initial and final photoemission states and also persists when either only initial or final states are replaced by correlated vibronic states. Only when correlated initial and final vibronic states are taken into account are the spurious spectral weights of the Born-Oppenheimer approximation suppressed. In the nonequilibrium case, we illustrate for an initial Franck-Condon excitation and an explicit pump-pulse excitation how the vibronic wavepacket motion of the system can be traced in the time-resolved photoelectron spectra as a function of the pump-probe delay.

  17. Extraordinary sensitivity of nanoscale infrared spectroscopy demonstrated on Graphene and thin SiO2

    NASA Astrophysics Data System (ADS)

    Andreev, Greg; Fei, Z.; Bao, W.; Zhao, Z.; Lau, C. N.; Zhang, L. M.; Fogler, M.; Dominguez, G.; Thiemens, M.; Keilmann, F.; Basov, D.

    2011-03-01

    Infrared Spectroscopy is a powerful tool for characterizing materials by their vibrational mode fingerprint and/or electron conductivity. Its application to nanoscale resolved studies is highly desirable but remained challenging mainly for two reasons: a suitable source of intense, broadband infrared illumination was not widely available and the spatial resolution of conventional microscopes was limited by diffraction. We have resolved both issues by utilizing tunable External Cavity Quantum Cascade Lasers (EC-QCLs) as an intense illumination source for a scattering Scanning Near Field Optical Microscope (s-SNOM), capable of 10nm spatial resolution. With this combination of EC-QCLs + s-SNOM we demonstrate 10nm resolution imaging and spectroscopy of extremely thin materials: Silicon oxide layers (SiO) as thin as 2nm and even single atomic layers of Carbon (Graphene). The spectra register contrasts for volumes as small as 20x20x1 nm 3= 400 yoktoliters of SiO2 , and about 70 yl of Graphene over a broad spectral range: 1065 - 2250cm-1 . We explain the origins of this extraordinary sensitivity with an improved theoretical framework for calculating the near field response of a multilayer system.

  18. Time-resolved and spatially-resolved infrared spectroscopic observation of seeded nucleation controlling geopolymer gel formation.

    PubMed

    Hajimohammadi, Ailar; Provis, John L; van Deventer, Jannie S J

    2011-05-15

    The effect of seeded nucleation on the formation and structural evolution of one-part ("just add water") geopolymer gels is investigated. Gel-forming systems are seeded with each of three different oxide nanoparticles, and seeding is shown to have an important role in controlling the silica release rate from the solid geothermal silica precursor, and in the development of physical properties of the gels. Nucleation accelerates the chemical changes taking place during geopolymer formation. The nature of the seeds affects the structure of the growing gel by affecting the extent of phase separation, identified by the presence of a distinct silica-rich gel in addition to the main, more alumina-rich gel phase. Synchrotron radiation-based infrared microscopy (SR-FTIR) shows the effect of nucleation on the heterogeneous nanostructure and microstructure of geopolymer gels, and is combined with data obtained by time-resolved FTIR analysis to provide a more holistic view of the reaction processes at a level of detail that has not previously been available. While spatially averaged (ATR-FTIR) infrared results show similar spectra for seeded and unseeded samples which have been cured for more than 3 weeks, SR-FTIR results show marked differences in gel structure as a result of seeding.

  19. [Near-infrared Raman spectroscopy for diagnosis of gastric cancer].

    PubMed

    Jin, Shaoqin; Mao, Hua

    2014-03-01

    To establish a method for early diagnosis of gastric cancer using near-infrared Raman spectroscopy. A rapid near-infrared Raman system was used to examine the tissue specimens of pathologically confirmed gastric cancer (33 cases), gastric precancerous lesions (27 cases), and normal gastric mucosa (45 cases). All the specimens were obtained from 105 patients undergoing gastrectomy or endoscopic biopsy of suspected gastric lesions. High-quality Raman spectra ranging from 700 to 1800 cm(-1) were acquired from the gastric tissues within 5 s. The distribution pattern of Raman spectra in gastric cancer differed significantly from those of gastric precancerous lesions and normal gastric mucosa, particularly in the spectral ranges of 853 cm(-1), 936 cm(-1), 1003 cm(-1), 1032 cm(-1), 1174 cm(-1), 1208 cm(-1), 1323 cm(-1), 1335 cm(-1), 1450 cm(-1), and 1655 cm(-1), which contained signals related to proteins, nucleic acids and lipids. The diagnostic decision algorithm based on the Raman peak intensity ratios of I1003/ I1337, I1003/I1445, I1003/I1655, and I1156/I1655 yielded remarkable differences in gastric cancer from gastric precancerous lesions and normal gastric mucosa, and the ratios were significantly higher in normal gastric tissues (P<0.05). The discrimination based on near-infrared Raman spectroscopy using PCA-LDA algorithms associated with leave- one-out and cross-validation method showed diagnostic sensitivities of 81.5%, 85.3%, and 100%, and specificities of 86.4%, 100%, and 97.4% for normal gastric mucosa, precancerous lesions and gastric cancer, respectively. near-infrared Raman spectroscopy in conjunction with intensity ratio algorithms shows the potential for noninvasive diagnosis and detection of gastric malignancy at the molecular level.

  20. Vibrationally-resolved polyatomic photoelectron spectroscopy: Mode-specific behavior

    NASA Astrophysics Data System (ADS)

    Rathbone, G. J.; Poliakoff, E. D.; Bozek, J. D.; Lucchese, R. R.

    2002-05-01

    We report the first vibrationally-resolved photoelectron spectra for polyatomic molecules performed over a broad spectral range. Such studies elucidate vibrationally mode-specific aspects of the photoelectron scattering dynamics. Three linear triatomic systems (CO_2, N_2O, and CS_2) are studied, and the results exhibit striking differences for alternative modes. For CO_2^+(C^2Σ_g^+), a continuum resonance results in a 15 eV wide dip for the symmetric stretch branching ratio, while strong peaks are observed for vibrational branching ratios associated with the two symmetry forbidden modes. For CS_2^+(B^2Σ_u^+), mode-specific behavior is displayed, as resonance enhancement of a single quantum excitation is weak for the symmetric stretch, but strong for the bending vibration. For N_2O^+(A^2Σ^+), many vibrational excitations are observed and families of vibrational branching ratio spectra emerge.

  1. Fingerprints of Majorana fermions in spin-resolved subgap spectroscopy

    NASA Astrophysics Data System (ADS)

    Chirla, Razvan; Moca, Cǎtǎlin Paşcu

    2016-07-01

    When a strongly correlated quantum dot is tunnel coupled to a superconductor, it leads to the formation of Shiba bound states inside the superconducting gap. They have been measured experimentally in a superconductor-quantum dot-normal lead setup. Side coupling the quantum dot to a topological superconducting wire that supports Majorana bound states at its ends, drastically affects the structure of the Shiba states and induces supplementary in-gap states. The anomalous coupling between the Majorana bound states and the quantum dot gives rise to a characteristic imbalance in the spin-resolved spectral functions for the dot operators. These are clear fingerprints for the existence of Majorana fermions and they can be detected experimentally in transport measurements. In terms of methods employed, we have used analytical approaches combined with the numerical renormalization group approach.

  2. Time-resolved phase-sensitive second harmonic generation spectroscopy

    NASA Astrophysics Data System (ADS)

    Nowakowski, Paweł J.; Woods, David A.; Bain, Colin D.; Verlet, Jan R. R.

    2015-02-01

    A methodology based on time-resolved, phase-sensitive second harmonic generation (SHG) for probing the excited state dynamics of species at interfaces is presented. It is based on an interference measurement between the SHG from the sample and a local oscillator generated at a reference together with a lock-in measurement to remove the large constant offset from the interference. The technique is characterized by measuring the phase and excited state dynamics of the dye malachite green at the water/air interface. The key attributes of the technique are that the observed signal is directly proportional to sample concentration, in contrast to the quadratic dependence from non-phase sensitive SHG, and that the real and imaginary parts of the 2nd order non-linear susceptibility can be determined independently. We show that the method is highly sensitive and can provide high quality excited state dynamics in short data acquisition times.

  3. Time-resolved spectroscopy of low-dimensional semiconductor structures

    NASA Astrophysics Data System (ADS)

    Murphy, Joseph R.

    This dissertation is a survey of ultrafast time-resolved optical measurements conducted on a variety of low-dimensional semiconductor systems to further the understanding of the dynamic behavior in the following systems: ZnMnTe/ZnSe quantum dots, ZnTe/ZnMnSe quantum dots, InGaAs quantum wells, CdMnSe colloidal quantum dots, multi-shell CdSe/CdMnS/CdS colloidal nanoplatelets, and graphene and graphene-related solutions and films. Using time-resolved photoluminescence to study epitaxially-grown ZnTe and ZnMnTe quantum dots in corresponding ZnMnSe and ZnSe matrices, the location dependence of manganese ions in respect to magnetic polaron formation is shown. The structure with manganese ions located in the matrix exhibited magnetic polaron behavior consistent with previous literature, whereas the structure with the magnetic ions located within the quantum dots exhibited unconventional magnetic polaron properties. These properties, including temperature and magnetic field insensitivity, were explained through the use of a model that predicted an increased internal magnetic field due to a decreased effective volume of the magnetic polaron and a higher effective temperature due to laser heating. Magneto-time-resolved photoluminescence measurements on a system of colloidal CdMnSe quantum dots show that the magnetic polaron properties differ significantly from the epitaxially grown quantum dots. First the timescales at which the magnetic polaron forms and the polarization saturates are different by more than an order of magnitude, and second, the magnetic polaron energy exhibited step-like behavior as the strength of the externally applied magnetic field is increased. The field dependent MP formation energy that is observed experimentally is explained as due to the breaking of the antiferromagnetic coupling of Mn dimers within the QDs. This model is further verified by the observation of quantized behavior in the Zeeman energy splitting. Through the use of magneto

  4. PREFACE: 3rd International Workshop on Infrared Plasma Spectroscopy

    NASA Astrophysics Data System (ADS)

    Davies, P. B.; Röpcke, Jürgen; Hempel, Frank

    2009-07-01

    This volume containsd a selection of papers from the third Infrared Plasma Spectroscopy (IPS) Workshop held in Greifswald, Germany in July 2008. Although not all the contributions have been written up in time for the deadline for this volume, nevertheless the 12 contributions presented here give a fair representation of the conference topics. The conference comprised four different types of contribution. Firstly, four invited lectures focussed on the prime areas of interest. Secondly, eight shorter contributed talks, grouped as closely as possible with the appropriate invited lecture. These contributed talks covered topics in both pure and applied infrared plasma spectroscopy. A feature of the two previous IPS conferences has been a contribution from commercial organisations namely those involved in manufacturing devices, detectors and spectrometers. This group of participants formed the third part of the conference programme and gave five oral presentations covering topics like QCL and detector/detection developments and novel spectrometer designs. The fourth contributing group comprised 27 poster presentations. It should be mentioned that some of the latter were poster versions of contributed talks. The conference was remarkable for the wide spread of topics covered in a relatively small meeting, consisting of 44 participants. The participants were made up of 34 scientists from within Europe and 4 from the rest of the world. It is interesting to reflect on changes that have occurred since the previous meeting just a year earlier. Two clear developments which have occurred are the emergence of Quantum Cascade Lasers (QCL) and their use in Cavity Ring Down (CRD) spectroscopy. A major shift from cw lead salt diode lasers to cw and pulsed QCL in both pure and applied projects now seems to be well under way. The topics covered in the earlier conferences focussed more on applying infrared spectroscopy to plasma monitoring and control. When choosing the topics to cover

  5. An infrared spectroscopy method to detect ammonia in gastric juice.

    PubMed

    Giovannozzi, Andrea M; Pennecchi, Francesca; Muller, Paul; Balma Tivola, Paolo; Roncari, Silvia; Rossi, Andrea M

    2015-11-01

    Ammonia in gastric juice is considered a potential biomarker for Helicobacter pylori infection and as a factor contributing to gastric mucosal injury. High ammonia concentrations are also found in patients with chronic renal failure, peptic ulcer disease, and chronic gastritis. Rapid and specific methods for ammonia detection are urgently required by the medical community. Here we present a method to detect ammonia directly in gastric juice based on Fourier transform infrared spectroscopy. The ammonia dissolved in biological liquid samples as ammonium ion was released in air as a gas by the shifting of the pH equilibrium of the ammonium/ammonia reaction and was detected in line by a Fourier transform infrared spectroscopy system equipped with a gas cell for the quantification. The method developed provided high sensitivity and selectivity in ammonia detection both in pure standard solutions and in a simulated gastric juice matrix over the range of diagnostic concentrations tested. Preliminary analyses were also performed on real gastric juice samples from patients with gastric mucosal injury and with symptoms of H. pylori infection, and the results were in agreement with the clinicopathology information. The whole analysis, performed in less than 10 min, can be directly applied on the sample without extraction procedures and it ensures high specificity of detection because of the ammonia fingerprint absorption bands in the infrared spectrum. This method could be easily used with endoscopy instrumentation to provide information in real time and would enable the endoscopist to improve and integrate gastroscopic examinations.

  6. Composition of Polar Stratospheric Clouds from Infrared Spectroscopy

    NASA Technical Reports Server (NTRS)

    Tolbert, M. A.; Anthony, S. E.; Disselkamp, R.; Toon, O. B.; Condon, Estelle P. (Technical Monitor)

    1995-01-01

    Heterogeneous reactions on polar stratospheric clouds (PSCs) have recently been implicated in Arctic and Antarctic ozone destruction. Although the chemistry is well documented, the composition of the clouds remains uncertain. The most common PSCs (type I) are thought to be composed of HNO3/H2O mixtures. Although the exact process is not clear, type I PSCs are believed to nucleate on preexisting stratospheric sulfate aerosols (SSAs) composed of sulfuric acid and water. We are using infrared spectroscopy to study the composition and formation mechanism of type I PSCs. In the laboratory, we have used FTIR spectroscopy to probe the composition and phase of H2SO4/HNO3/H2O aerosols under winter polar stratospheric conditions. We have also used recently measured infrared optical constants for HNO3/H2O mixtures to analyze solar infrared extinction measurements of type I PSCs obtained in September 1987 over Antarctica. The results of these studies will be discussed in the context of current theories for polar stratospheric clouds formation.

  7. Composition of Polar Stratospheric Clouds from Infrared Spectroscopy

    NASA Technical Reports Server (NTRS)

    Tolbert, M. A.; Anthony, S. E.; Disselkamp, R.; Toon, O. B.; Condon, Estelle P. (Technical Monitor)

    1995-01-01

    Heterogeneous reactions on polar stratospheric clouds (PSCs) have recently been implicated in Arctic and Antarctic ozone destruction. Although the chemistry is well documented, the composition of the clouds remains uncertain. The most common PSCs (type I) are thought to be composed of HNO3/H2O mixtures. Although the exact process is not clear, type I PSCs are believed to nucleate on preexisting stratospheric sulfate aerosols (SSAs) composed of sulfuric acid and water. We are using infrared spectroscopy to study the composition and formation mechanism of type I PSCs. In the laboratory, we have used FTIR spectroscopy to probe the composition and phase of H2SO4/HNO3/H2O aerosols under winter polar stratospheric conditions. We have also used recently measured infrared optical constants for HNO3/H2O mixtures to analyze solar infrared extinction measurements of type I PSCs obtained in September 1987 over Antarctica. The results of these studies will be discussed in the context of current theories for polar stratospheric clouds formation.

  8. Plant species discrimination using emissive thermal infrared imaging spectroscopy

    NASA Astrophysics Data System (ADS)

    Rock, Gilles; Gerhards, Max; Schlerf, Martin; Hecker, Christoph; Udelhoven, Thomas

    2016-12-01

    Discrimination of plant species in the optical reflective domain is somewhat limited by the similarity of their reflectance spectra. Spectral characteristics in the visible to shortwave infrared (VSWIR) consist of combination bands and overtones of primary absorption bands, situated in the Thermal Infrared (TIR) region and therefore resulting in broad spectral features. TIR spectroscopy is assumed to have a large potential for providing complementary information to VSWIR spectroscopy. So far, in the TIR, plants were often considered featureless. Recently and following advances in sensor technology, plant species were discriminated based on specific emissivity signatures by Ullah et al. (2012) using directional-hemispherical reflectance (DHR) measurements in the laboratory. Here we examine if an accurate discrimination of plant species is equally possible using emissive thermal infrared imaging spectroscopy, an explicit spatial technique that is faster and more flexible than non-imaging measurements. Hyperspectral thermal infrared images were acquired in the 7.8⿿11.56 μm range at 40 nm spectral resolution (@10 μm) using a TIR imaging spectrometer (Telops HyperCam-LW) on seven plants each, of eight different species. The images were radiometrically calibrated and subjected to temperature and emissivity separation using a spectral smoothness approach. First, retrieved emissivity spectra were compared to laboratory reference spectra and then subjected to species discrimination using a random forest classifier. Second, classification results obtained with emissivity spectra were compared to those obtained with VSWIR reflectance spectra that had been acquired from the same leaf samples. In general, the mean emissivity spectra measured by the TIR imaging spectrometer showed very good agreement with the reference spectra (average Nash-Sutcliffe-Efficiency Index = 0.64). In species discrimination, the resulting accuracies for emissivity spectra are highly dependent on

  9. Resonant and Time-Resolved Spin Noise Spectroscopy

    NASA Astrophysics Data System (ADS)

    Song, Xinlin; Pursley, Brennan; Sih, Vanessa

    Spin noise spectroscopy is a technique which can probe the system while it remains in equilibrium. It was first demonstrated in atomic gases and then in solid state systems. Most existing spin noise measurement setups digitize the spin fluctuation signal and then analyze the power spectrum. Recently, pulsed lasers have been used to expand the bandwidth of accessible dynamics and allow direct time-domain correlation measurements. Here we develop and test a model for ultrafast pulsed laser spin noise measurements as well as a scheme to measure spin lifetimes longer than the laser repetition period. For the resonant spin noise technique, analog electronics are used to capture correlations from the extended pulse train, and the signal at a fixed time delay is measured as a function of applied magnetic field.

  10. Time-resolved photoelectron spectroscopy using synchrotron radiation time structure.

    PubMed

    Bergeard, N; Silly, M G; Krizmancic, D; Chauvet, C; Guzzo, M; Ricaud, J P; Izquierdo, M; Stebel, L; Pittana, P; Sergo, R; Cautero, G; Dufour, G; Rochet, F; Sirotti, F

    2011-03-01

    Synchrotron radiation time structure is becoming a common tool for studying dynamic properties of materials. The main limitation is often the wide time domain the user would like to access with pump-probe experiments. In order to perform photoelectron spectroscopy experiments over time scales from milliseconds to picoseconds it is mandatory to measure the time at which each measured photoelectron was created. For this reason the usual CCD camera-based two-dimensional detection of electron energy analyzers has been replaced by a new delay-line detector adapted to the time structure of the SOLEIL synchrotron radiation source. The new two-dimensional delay-line detector has a time resolution of 5 ns and was installed on a Scienta SES 2002 electron energy analyzer. The first application has been to characterize the time of flight of the photoemitted electrons as a function of their kinetic energy and the selected pass energy. By repeating the experiment as a function of the available pass energy and of the kinetic energy, a complete characterization of the analyzer behaviour in the time domain has been obtained. Even for kinetic energies as low as 10 eV at 2 eV pass energy, the time spread of the detected electrons is lower than 140 ns. These results and the time structure of the SOLEIL filling modes assure the possibility of performing pump-probe photoelectron spectroscopy experiments with the time resolution given by the SOLEIL pulse width, the best performance of the beamline and of the experimental station.

  11. Photoacoustic-based detector for infrared laser spectroscopy

    SciTech Connect

    Scholz, L.; Palzer, S.

    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.

  12. Fourier transform infrared spectroscopy approach for measurements of photoluminescence and electroluminescence in mid-infrared.

    PubMed

    Zhang, Y G; Gu, Y; Wang, K; Fang, X; Li, A Z; Liu, K H

    2012-05-01

    An improved Fourier transform infrared spectroscopy approach adapting to photoluminescence and electroluminescence measurements in mid-infrared has been developed, in which diode-pumped solid-state excitation lasers were adopted for photoluminescence excitation. In this approach, three different Fourier transform infrared modes of rapid scan, double modulation, and step scan were software switchable without changing the hardware or connections. The advantages and limitations of each mode were analyzed in detail. Using this approach a group of III-V and II-VI samples from near-infrared extending to mid-infrared with photoluminescence intensities in a wider range have been characterized at room temperature to demonstrate the validity and overall performances of the system. The weaker electroluminescence of quantum cascade lasers in mid-infrared band was also surveyed at different resolutions. Results show that for samples with relatively strong photoluminescence or electroluminescence out off the background, rapid scan mode is the most preferable. For weaker photoluminescence or electroluminescence overlapped with background, double modulation is the most effective mode. To get a better signal noise ratio when weaker photoluminescence or electroluminescence signal has been observed in double modulation mode, switching to step scan mode should be an advisable option despite the long data acquiring time and limited resolution.

  13. High Resolution Rovibrational Spectroscopy of Large Molecules Using Infrared Frequency Combs and Buffer Gas Cooling

    NASA Astrophysics Data System (ADS)

    Changala, Bryan; Spaun, Ben; Patterson, David; Bjork, Bryce J.; Heckl, Oliver H.; Doyle, John M.; Ye, Jun

    2016-06-01

    We have recently demonstrated the integration of cavity-enhanced direct frequency comb spectroscopy with buffer gas cooling to acquire high resolution infrared spectra of translationally and rotationally cold (˜10 K) gas-phase molecules. Here, we extend this method to significantly larger systems, including naphthalene (C10H_8), a prototypical polyaromatic hydrocarbon, and adamantane (C10H_{16}), the fundamental building block of diamonoids. To the authors' knowledge, the latter molecule represents the largest system for which rotationally resolved spectra in the CH stretch region (3 μm) have been obtained. In addition to the measured spectra, we present several details of our experimental methods. These include introducing non-volatile species into the cold buffer gas cell and obtaining broadband spectra with single comb mode resolution. We also discuss recent modifications to the apparatus to improve its absorption sensitivity and time resolution, which facilitate the study of both larger molecular systems and cold chemical dynamics. B. Spaun, et al. Probing buffer-gas cooled molecules with direct frequency comb spectroscopy in the mid-infrared, WF02, 70th International Symposium on Molecular Spectroscopy, Champaign-Urbana, IL, 2015.

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

    PubMed

    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

  15. Near-infrared spectroscopy of planetary nebulae: How strong is the H2 emission?

    NASA Technical Reports Server (NTRS)

    Dinerstein, H. L.; Carr, J.; Harvey, P. M.; Lester, D. F.

    1986-01-01

    In an effort to understand the systematics of the H2 emission from planetary nebulae, a program of near-infared spectroscopy using the University of Texas infrared reticon spectrometer was started. This instrument has a 1x32 element InSb photodiode array as a detector. All of the observations reported were made on the McDonald Observatory 2.7 m telescope, with spectra resolving power lambda/delta lambda = 600. The spectral coverage allows the measurement strengths of Brackett gamma He I 2.113 microns, HE II 2.189 microns and the v = 1=0 S(1) line of H2 at 2.122 microns. One of the most important advantages of this instrument is that we are able to resolve H2 from the adjacent He I line. Most previous observations of planetaries have been made at spectral resolving powers of about 100, which blend these lines. The contribution of the He I line has generally been dismissed as being unimportant, but we show that this may not be valid. Our higher resolving power also improves the line-to-continuum contrast; in some cases, the continuum is the limiting factor in detecting faint lines.

  16. [Identification of gastrodia elata blume by Fourier transform infrared spectroscopy].

    PubMed

    Liu, Gang; Dong, Qin; Yu, Fan; Liu, Jian-hong; Sun, Shi-zhong

    2004-03-01

    In this paper, a method of rapid and undamaged identification of wild and cultivated Gastrodia elata Blume, and one of its fakes by Fourier transform infrared spectroscopy (FTIR) is reported. The results show that Gastrodia elata Blume and its fake have different characteristic infrared spectra, by which Gastrodia elata Blume can be identified from its fake. Wild winter, wild spring, and cultivated Gastrodia elata Blume can be discriminated by FTIR, according to the differences of their spectral peaks and absorbance ratios. By the differences of absorbance ratios of several peaks, different grade of Gastrodia elata Blume may be classified. FTIR has proved to be a rapid, simple and nondestructive method for the identification of Gastrodia elata Blume.

  17. Infrared Spectroscopy of Halogenated Species for Atmospheric Remote Sensing

    NASA Astrophysics Data System (ADS)

    Harrison, Jeremy J.

    2014-06-01

    Fluorine- and chlorine-containing molecules in the atmosphere are very strong greenhouse gases, meaning that even small amounts of these gases contribute significantly to the radiative forcing of climate. Chlorofluorocarbons (CFCs) and hydrochlorofluorocarbons (HCFCs) are regulated by the 1987 Montreal Protocol because they deplete the ozone layer. Hydrofluorocarbons (HFCs), which do not deplete the ozone layer and are not regulated by the Montreal Protocol, have been introduced as replacements for CFCs and HCFCs. HFCs have global-warming potentials many times greater than carbon dioxide, and are increasing in the atmosphere at a very fast rate. Various satellite instruments monitor many of these molecules by detecting infrared radiation that has passed through the Earth's atmosphere. However, the quantification of their atmospheric abundances crucially requires accurate quantitative infrared spectroscopy. This talk will focus on new and improved laboratory spectroscopic measurements for a number of important halogenated species.

  18. Infrared-emission spectroscopy of CO on Ni

    SciTech Connect

    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/sup -1/ over the frequency range from 330 to 3000 cm/sup -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.

  19. Nanostructured diamond layers enhance the infrared spectroscopy of biomolecules.

    PubMed

    Kozak, Halyna; Babchenko, Oleg; Artemenko, Anna; Ukraintsev, Egor; Remes, Zdenek; Rezek, Bohuslav; Kromka, Alexander

    2014-03-04

    We report on the fabrication and practical use of high-quality optical elements based on Au mirrors coated with diamond layers with flat, nanocolumnar, and nanoporous morphologies. Diamond layers (100 nm thickness) are grown at low temperatures (about 300 °C) from a methane, carbon dioxide, and hydrogen gas mixture by a pulsed microwave plasma system with linear antennas. Using grazing angle reflectance (GAR) Fourier transform infrared spectroscopy with p-polarized light, we compare the IR spectra of fetal bovine serum proteins adsorbed on diamond layers with oxidized (hydrophilic) surfaces. We show that the nanoporous diamond layers provide IR spectra with a signal gain of about 600% and a significantly improved sensitivity limit. This is attributed to its enhanced internal surface area. The improved sensitivity enabled us to distinguish weak infrared absorption peaks of <10-nm-thick protein layers and thereby to analyze the intimate diamond-molecule interface.

  20. Cloud identification in atmospheric trace molecule spectroscopy infrared occultation measurements.

    PubMed

    Kahn, Brian H; Eldering, Annmarie; Irion, Fredrick W; Mills, Franklin P; Sen, Bhaswar; Gunson, Michael R

    2002-05-20

    High-resolution infrared nongas absorption spectra derived from the Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment are analyzed for evidence of the presence of cirrus clouds. Several nonspherical ice extinction models based on realistic size distributions and crystal habits along with a stratospheric sulfate aerosol model are fit to the spectra, and comparisons are made with different model combinations. Nonspherical ice models often fit observed transmission spectra better than a spherical Mie ice model, and some discrimination among nonspherical models is noted. The ATMOS lines of sight for eight occultations are superimposed on coincident geostationary satellite infrared imagery, and brightness temperatures along the lines of sight are compared with retrieved vertical temperature profiles. With these comparisons, studies of two cases of clear sky, three cases of opaque cirrus, and three cases of patchy cirrus are discussed.

  1. Measuring cloud thermodynamic phase with shortwave infrared imaging spectroscopy

    SciTech Connect

    Thompson, David R.; McCubbin, Ian; Gao, Bo Cai; Green, Robert O.; Matthews, Alyssa A.; Mei, Fan; Meyer, Kerry G.; Platnick, Steven; Schmid, Beat; Tomlinson, Jason; Wilcox, Eric

    2016-08-12

    Shortwave Infrared imaging spectroscopy enables accurate remote mapping of cloud thermodynamic phase at high spatial resolution. We describe a measurement strategy to exploit signatures of liquid and ice absorption in cloud top apparent reflectance spectra from 1.4 to 1.8 μm. This signal is generally insensitive to confounding factors such as solar angles, view angles, and surface albedo. We first evaluate the approach in simulation and then apply it to airborne data acquired in the Calwater-2/ACAPEX campaign of Winter 2015. Here NASA’s “Classic” Airborne Visible Infrared Imaging Spectrometer (AVIRIS-C) remotely observed diverse cloud formations while the U.S. Department of Energy ARM Aerial Facility G-1 aircraft measured cloud integral and microphysical properties in situ. Finally, the coincident measurements demonstrate good separation of the thermodynamic phases for relatively homogeneous clouds.

  2. Measuring cloud thermodynamic phase with shortwave infrared imaging spectroscopy

    NASA Astrophysics Data System (ADS)

    Thompson, David R.; McCubbin, Ian; Gao, Bo Cai; Green, Robert O.; Matthews, Alyssa A.; Mei, Fan; Meyer, Kerry G.; Platnick, Steven; Schmid, Beat; Tomlinson, Jason; Wilcox, Eric

    2016-08-01

    Shortwave Infrared imaging spectroscopy enables accurate remote mapping of cloud thermodynamic phase at high spatial resolution. We describe a measurement strategy to exploit signatures of liquid and ice absorption in cloud top apparent reflectance spectra from 1.4 to 1.8 μm. This signal is generally insensitive to confounding factors such as solar angles, view angles, and surface albedo. We first evaluate the approach in simulation and then apply it to airborne data acquired in the Calwater-2/ACAPEX campaign of Winter 2015. Here NASA's "Classic" Airborne Visible Infrared Imaging Spectrometer (AVIRIS-C) remotely observed diverse cloud formations while the U.S. Department of Energy ARM Aerial Facility G-1 aircraft measured cloud integral and microphysical properties in situ. The coincident measurements demonstrate good separation of the thermodynamic phases for relatively homogeneous clouds.

  3. Two-Photon-Excited Fluorescence-Encoded Infrared Spectroscopy.

    PubMed

    Mastron, Joseph N; Tokmakoff, Andrei

    2016-11-23

    We report on a method for performing ultrafast infrared (IR) vibrational spectroscopy using fluorescence detection. Vibrational dynamics on the ground electronic state driven by femtosecond mid-infrared pulses are detected by changes in fluorescence amplitude resulting from modulation of a two-photon visible transition by nuclear motion. We examine a series of coumarin dyes and study the signals as a function of solvent and excitation pulse parameters. The measured signal characterizes the relaxation of vibrational populations and coherences but yields different information than conventional IR transient absorption measurements. These differences result from the manner in which the ground-state dynamics are projected by the two-photon detection step. Extensions of this method can be adapted for a variety of increased-sensitivity IR measurements.

  4. [Progress in noninvasive biochemical examination by near infrared spectroscopy].

    PubMed

    Ding, Hai-quan; Lu, Qi-peng; Peng, Zhong-qi; Chen, Xing-dan

    2010-08-01

    In the early nineties of last century, great importance had been gradually attached to the potential of near-infrared spectroscopy (NIRS) in the human body noninvasive biochemical examination. However, the human body is extremely complex. Although research teams have made some achievements in experimental simulations and in-vitro analysis, there is still no substantive breakthrough in clinical application now. The present paper discusses the key problems which prevent NIRS from achieving human noninvasive clinical biochemical examination, such as weak signal, the interference of human tissue background and the problem of blood volume change. The thoughts of noninvasive biomedical examination using NIRS are divided into two categories in terms of analytical method, that is classical near-infrared analysis and issue background interference elimination analysis. This paper also introduces in detail the current status of the two categories in the world, and believes that the second category is more promising to be successful in clinical application under the existing conditions.

  5. Infrared Spectroscopy on Smoke Produced by Cauterization of Animal Tissue

    PubMed Central

    Gianella, Michele; Sigrist, Markus W.

    2010-01-01

    In view of in vivo surgical smoke studies a difference-frequency-generation (DFG) laser spectrometer (spectral range 2900–3144 cm−1) and a Fourier-transform infrared (FTIR) spectrometer were employed for infrared absorption spectroscopy. The chemical composition of smoke produced in vitro with an electroknife by cauterization of different animal tissues in different atmospheres was investigated. Average concentrations derived are: water vapor (0.87%), methane (20 ppm), ethane (4.8 ppm), ethene (17 ppm), carbon monoxide (190 ppm), nitric oxide (25 ppm), nitrous oxide (40 ppm), ethyne (50 ppm) and hydrogen cyanide (25 ppm). No correlation between smoke composition and the atmosphere or the kind of cauterized tissue was found. PMID:22319267

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

    NASA Astrophysics Data System (ADS)

    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.

  7. Infrared spectroscopy and spectroscopic imaging in forensic science.

    PubMed

    Ewing, Andrew V; Kazarian, Sergei G

    2017-01-16

    Infrared spectroscopy and spectroscopic imaging, are robust, label free and inherently non-destructive methods with a high chemical specificity and sensitivity that are frequently employed in forensic science research and practices. This review aims to discuss the applications and recent developments of these methodologies in this field. Furthermore, the use of recently emerged Fourier transform infrared (FT-IR) spectroscopic imaging in transmission, external reflection and Attenuated Total Reflection (ATR) modes are summarised with relevance and potential for forensic science applications. This spectroscopic imaging approach provides the opportunity to obtain the chemical composition of fingermarks and information about possible contaminants deposited at a crime scene. Research that demonstrates the great potential of these techniques for analysis of fingerprint residues, explosive materials and counterfeit drugs will be reviewed. The implications of this research for the examination of different materials are considered, along with an outlook of possible future research avenues for the application of vibrational spectroscopic methods to the analysis of forensic samples.

  8. Infrared spectroscopy of excited states and transients in photochemistry

    NASA Astrophysics Data System (ADS)

    Schaffner, Kurt; Grevels, Friedrich-Wilhelm

    Flash photolysis with time-resolved IR detection is used in investigations of the primary photoreactions of chromium, molybdenum, tungsten, manganese, iron, and osmium carbonyl complexes, and of the ensuing transformations of transient products in room temperature solution. The method bridges the gap to spectral data obtained at low temperatures. It provides information which has previously been inaccessible, such as detailed structural information, and kinetic data in cases where the UV-visible absorptions of the species of interest overlap. Finally, excited-state IR spectroscopy has now become feasible for many organic compounds with the most recent instrumental set-up which reaches a time resolution of ≥ 50 ns.

  9. Visible and infrared reflectance imaging spectroscopy of paintings: pigment mapping and improved infrared reflectography

    NASA Astrophysics Data System (ADS)

    Delaney, John K.; Zeibel, Jason G.; Thoury, Mathieu; Littleton, Roy; Morales, Kathryn M.; Palmer, Michael; de la Rie, E. René

    2009-07-01

    Reflectance imaging spectroscopy, the collection of images in narrow spectral bands, has been developed for remote sensing of the Earth. In this paper we present findings on the use of imaging spectroscopy to identify and map artist pigments as well as to improve the visualization of preparatory sketches. Two novel hyperspectral cameras, one operating from the visible to near-infrared (VNIR) and the other in the shortwave infrared (SWIR), have been used to collect diffuse reflectance spectral image cubes on a variety of paintings. The resulting image cubes (VNIR 417 to 973 nm, 240 bands, and SWIR 970 to 1650 nm, 85 bands) were calibrated to reflectance and the resulting spectra compared with results from a fiber optics reflectance spectrometer (350 to 2500 nm). The results show good agreement between the spectra acquired with the hyperspectral cameras and those from the fiber reflectance spectrometer. For example, the primary blue pigments and their distribution in Picasso's Harlequin Musician (1924) are identified from the reflectance spectra and agree with results from X-ray fluorescence data and dispersed sample analysis. False color infrared reflectograms, obtained from the SWIR hyperspectral images, of extensively reworked paintings such as Picasso's The Tragedy (1903) are found to give improved visualization of changes made by the artist. These results show that including the NIR and SWIR spectral regions along with the visible provides for a more robust identification and mapping of artist pigments than using visible imaging spectroscopy alone.

  10. Infrared Phonon Fingerprinting of Nanocrystals through Broadband Near-Field Spectroscopy

    NASA Astrophysics Data System (ADS)

    McLeod, Alexander S.; Dominguez, Gerardo; Kelly, Priscilla; Thiemens, Mark; Zhang, Lingfeng M.; Rodin, Alex; Fogler, Michael M.; Keilmann, Fritz; Basov, D. N.

    2012-02-01

    Near-field infrared spectroscopy has recently been demonstrated with the capability to resolve optical properties of sub-wavelength sample areas across a broad range of infrared frequencies. This method holds promise for the direct identification of sub-wavelength chemical composition in nanostructured and heterogeneous samples. We apply this technique to the study of phonon-resonant silicon carbide nanocrystals tens of nanometers in size using an apertureless scanning near-field optical microscope (SNOM) coupled to a pulsed broadband infrared laser source and FTIR spectrometer. We present measurements of nanocrystal near-field spectra in the range of 700-1200 cm-1 evaluated in comparison with the near-field spectra of bulk silicon carbide, calibrated using ellipsometry. A detailed analytic model of the probe-sample near-field interaction is applied for the identification of nanoscale resonant size effects. These techniques provide a powerful method for identifying and characterizing sub-wavelength nanocrystals in heterogeneous samples via near-field infrared ``phonon fingerprinting.''

  11. [Application of near infrared spectroscopy in analysis of wood properties].

    PubMed

    Yao, Sheng; Pu, Jun-wen

    2009-04-01

    There is substantial interest in the improvement of wood properties through genetic selection or a change in silviculture prescription. Tree breeding purpose requires measurement of a large number of samples. However, traditional methods of assessing wood properties are both time consuming and destructive, limiting the numbers of samples that can be processed, so new method would be needed to find. Near infrared spectroscopy (NIR) is an advanced spectroscopic tool for nondestructive evaluation of wood and it can quickly, accurately estimate the properties of increment core, solid wood or wood meal. The present paper reviews the advances in the research on the wood chemistry properties and anatomical properties using NIR.

  12. Fingerprints of polycyclic aromatic hydrocarbons (PAHs) in infrared absorption spectroscopy.

    PubMed

    Tommasini, Matteo; Lucotti, Andrea; Alfè, Michela; Ciajolo, Anna; Zerbi, Giuseppe

    2016-01-05

    We have analyzed a set of 51 PAHs whose structures have been hypothesized from mass spectrometry data collected on samples extracted from carbon particles of combustion origin. We have obtained relationships between infrared absorption signals in the fingerprint region (mid-IR) and the chemical structures of PAHs, thus proving the potential of IR spectroscopy for the characterization of the molecular structure of aromatic combustion products. The results obtained here for the spectroscopic characterization of PAHs can be also of interest in Materials Science and Astrophysics.

  13. Trace water determination in gases by infrared spectroscopy

    SciTech Connect

    Stallard, B.R.; Espinoza, L.H.; Niemczyk, T.M.

    1995-05-01

    Water determination in semiconductor process gases is desirable in order to extend the life of gas delivery systems and improve wafer yields. The authors review their work in applying Fourier transform infrared spectroscopy to this problem, where a 10 ppb detection limit has been demonstrated for water in N{sub 2}, HCl, and HBr. The potential for optical determination of other contaminants in these gases is discussed. Also, alternative optical spectroscopic approaches are briefly described. Finally, they discuss methods for dealing with interference arising from water in the instrument beam path, yet outside the sample cell.

  14. Near-infrared spectroscopy. Innovative technology summary report

    SciTech Connect

    Not Available

    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.

  15. Band Structure Asymmetry of Bilayer Graphene Revealed by Infrared Spectroscopy

    SciTech Connect

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

    2008-12-10

    We report on infrared spectroscopy of bilayer graphene integrated in gated structures. We observe a significant asymmetry in the optical conductivity upon electrostatic doping of electrons and holes. We show that this finding arises from a marked asymmetry between the valence and conduction bands, which is mainly due to the inequivalence of the two sublattices within the graphene layer and the next-nearest-neighbor interlayer coupling. From the conductivity data, the energy difference of the two sublattices and the interlayer coupling energy are directly determined.

  16. Investigation of Membrane Peptides by Two-Dimensional Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Blanco, Emily Ann; Zanni, Martin T.

    2009-06-01

    Two-dimensional infrared spectroscopy (2D IR) is a useful tool for studying the structure of membrane peptides. Isotope labeling individual amino acids with 13C=18O decouples the isotope labeled amide I from the other amide I modes in the peptide. Work has been done on both the M2 ion channel and ovispirin antimicrobial peptide, studying the diagonal linewidths of the isotope labeled amide I. The diagonal linewidth of the isotope labeled amide I gives information about the local environment of that residue, which in turn gives structural information about the membrane peptide.

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

    PubMed

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

    PubMed

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

    2015-08-01

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-08-01

    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.

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

    PubMed

    Stancik, Aaron L; Brauns, Eric B

    2013-10-31

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

  1. Fourier transform infrared spectroscopy as a surface science technique

    NASA Astrophysics Data System (ADS)

    Celio, Hugo; Trenary, Michael

    1998-06-01

    A central goal of modern surface science is to obtain atomic and molecular level information about the structural and chemical properties of solid surfaces. For many, if not most, problems in surface science it is necessary to work under ultra high vacuum (UHV) conditions to obtain meaningful and reproducible results. A wide array of highly specialized and hence expensive UHV surface sensitive techniques have been developed to probe the gas-solid interface. Most of these techniques rely on the finite penetration depth of charge particles to achieve surface sensitivity. In contrast, surface sensitivity can also be achieved with reflection absorption infrared spectroscopy using unmodified low-cost commercial FTIR spectrometers. In this paper we show how a variety of problems in surface chemistry can be effectively addressed with FTIR spectroscopy.

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

    SciTech Connect

    El Khoury, Youssef; Van Wilderen, Luuk J. G. W.; Vogt, Tim; Winter, Ernst; Bredenbeck, Jens E-mail: bredenbeck@biophysik.uni-frankfurt.de

    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.

  3. Resolving Fast, Confined Diffusion in Bacteria with Image Correlation Spectroscopy.

    PubMed

    Rowland, David J; Tuson, Hannah H; Biteen, Julie S

    2016-05-24

    By following single fluorescent molecules in a microscope, single-particle tracking (SPT) can measure diffusion and binding on the nanometer and millisecond scales. Still, although SPT can at its limits characterize the fastest biomolecules as they interact with subcellular environments, this measurement may require advanced illumination techniques such as stroboscopic illumination. Here, we address the challenge of measuring fast subcellular motion by instead analyzing single-molecule data with spatiotemporal image correlation spectroscopy (STICS) with a focus on measurements of confined motion. Our SPT and STICS analysis of simulations of the fast diffusion of confined molecules shows that image blur affects both STICS and SPT, and we find biased diffusion rate measurements for STICS analysis in the limits of fast diffusion and tight confinement due to fitting STICS correlation functions to a Gaussian approximation. However, we determine that with STICS, it is possible to correctly interpret the motion that blurs single-molecule images without advanced illumination techniques or fast cameras. In particular, we present a method to overcome the bias due to image blur by properly estimating the width of the correlation function by directly calculating the correlation function variance instead of using the typical Gaussian fitting procedure. Our simulation results are validated by applying the STICS method to experimental measurements of fast, confined motion: we measure the diffusion of cytosolic mMaple3 in living Escherichia coli cells at 25 frames/s under continuous illumination to illustrate the utility of STICS in an experimental parameter regime for which in-frame motion prevents SPT and tight confinement of fast diffusion precludes stroboscopic illumination. Overall, our application of STICS to freely diffusing cytosolic protein in small cells extends the utility of single-molecule experiments to the regime of fast confined diffusion without requiring advanced

  4. Time-resolved VUV spectroscopy in the EXTRAP-T2 reversed field pinch

    NASA Astrophysics Data System (ADS)

    Hedqvist, Anders; Rachlew-Källne, Elisabeth

    1998-09-01

    Time-resolved VUV spectroscopy has been used to investigate the effects of impurities in a reversed field pinch operating with a resistive shell. Results of electron temperature, impurity ion densities, particle confinement time and 0741-3335/40/9/004/img1 together with a description of the interpretation and the equipment are presented.

  5. Resolving stellar populations with crowded field 3D spectroscopy

    NASA Astrophysics Data System (ADS)

    Kamann, S.; Wisotzki, L.; Roth, M. M.

    2013-01-01

    We describe a new method of extracting the spectra of stars from observations of crowded stellar fields with integral field spectroscopy (IFS). Our approach extends the well-established concept of crowded field photometry in images into the domain of 3-dimensional spectroscopic datacubes. The main features of our algorithm follow. (1) We assume that a high-fidelity input source catalogue already exists, e.g. from HST data, and that it is not needed to perform sophisticated source detection in the IFS data. (2) Source positions and properties of the point spread function (PSF) vary smoothly between spectral layers of the datacube, and these variations can be described by simple fitting functions. (3) The shape of the PSF can be adequately described by an analytical function. Even without isolated PSF calibrator stars we can therefore estimate the PSF by a model fit to the full ensemble of stars visible within the field of view. (4) By using sparse matrices to describe the sources, the problem of extracting the spectra of many stars simultaneously becomes computationally tractable. We present extensive performance and validation tests of our algorithm using realistic simulated datacubes that closely reproduce actual IFS observations of the central regions of Galactic globular clusters. We investigate the quality of the extracted spectra under the effects of crowding with respect to the resulting signal-to-noise ratios (S/N) and any possible changes in the continuum level, as well as with respect to absorption line spectral parameters, radial velocities, and equivalent widths. The main effect of blending between two nearby stars is a decrease in the S/N in their spectra. The effect increases with the crowding in the field in a way that the maximum number of stars with useful spectra is always ~0.2 per spatial resolution element. This balance breaks down when exceeding a total source density of one significantly detected star per resolution element. We also explore the

  6. Solving the Structure of Reaction Intermediates by Time-Resolved Synchrotron X-ray Absorption Spectroscopy

    SciTech Connect

    Wang, Q.; Hanson, J; Frenkel, A

    2008-01-01

    We present a robust data analysis method of time-resolved x-ray absorption spectroscopy experiments suitable for chemical speciation and structure determination of reaction intermediates. Chemical speciation is done by principal component analysis (PCA) of the time-resolved x-ray absorption near-edge structure data. Structural analysis of intermediate phases is done by theoretical modeling of their extended x-ray absorption fine-structure data isolated by PCA. The method is demonstrated using reduction and reoxidation of Cu-doped ceria catalysts where we detected reaction intermediates and measured fine details of the reaction kinetics. This approach can be directly adapted to many time-resolved x-ray spectroscopy experiments where new rapid throughput data collection and analysis methods are needed.

  7. The Application Of Picosecond-Resolved Fluorescence Spectroscopy In The Study Of Flavins And Flavoproteins

    NASA Astrophysics Data System (ADS)

    Visser, Antonie J.; van Hoek, Arie

    1988-06-01

    Picosecond relaxation processes of flavins and flavoproteins were investigated with mode-locked and synchronously pumped lasers as source of excitation and time-correlated single photon counting in detection. Free flavin rotational correlation times of 80-150 ps (values depending on the flavin derivative used) could be precisely determined. Picosecond-resolved fluorescence of the flavin bound in the electron-carrier protein flavodoxin from Desulfovibrio vulgaris yields a fluorescence lifetime component of 30 ps in the fluorescence decay. Time-resolved tryptophan fluorescence in flavodoxin exhibits a short lifetime component, which is attributed in part to energy transfer from tryptophan to flavin. Three-dimensional fluorescence spectroscopy and fluorescence anisotropy decay analysis of the two tryptophan residues in flavodoxin provide new evidence for specific flavin-tryptophan interaction. Finally, picosecond-resolved spectroscopy enables the direct measurement of energy transfer between two different chromophores in a protein, from which topographical details can be inferred.

  8. Rotationally resolved spectroscopy of the dwarf planet (136472) Makemake

    NASA Astrophysics Data System (ADS)

    Lorenzi, V.; Pinilla-Alonso, N.; Licandro, J.

    2014-07-01

    Icy dwarf planets are transneptunian objects large and cold enough to retain large amounts of volatiles on their surfaces, which is of particular interest for the understanding of the origin and evolution of the Solar System. Two of them, Pluto and Eris, are very similar. They are of comparable dimensions and present similar spectral characteristics, with methane-ice bands dominating the visible and near-infrared spectra, and a red slope in the visible, suggesting the presence of complex organic materials on the surface (Licandro et al. 2006a). But there are also some significant differences: whereas Pluto has an observed global atmosphere (composed mainly of N_2 but also of CH_4, e.g., Lellouch et al. 2009), for Eris, there is no evidence of the presence of an atmosphere. No N_2 (main component of the surface of Pluto) or CO have been detected on the surface of Eris, even if their presence is inferred (Licandro et al. 2006a), and there is no evidence for surface variability (Alvarez-Candal et al. 2011), which has been widely studied for Pluto (e.g., Buie et al. 2010; Grundy et al. 2013). Moreover, the albedo of Eris (p_{v}=0.96, Buratti et al. 2003) is higher than Pluto's (p_{v}=0.52, Sicardy et al, 2011). All this seems to indicate that Eris, with a more eccentric orbit and a distance to the Sun varying between 35 and 97 au, could be an iced Pluto whose atmosphere has collapsed on the surface covering it with ices of higher albedo and giving it its homogeneous appearance. Makemake, another dwarf planet, seems to be a intermediate case between the other two: it moves at a heliocentric distance between 38.5 and 53 au, it has an intermediate albedo (p_{v} = 0.77, Ortiz et al. 2012), and like Pluto and Eris, it has a reddish spectrum with strong methane-ice absorption bands (Licandro et al. 2006b). Furthermore, some surface heterogeneity related with volatile transport has been suggested. Thermal observations (Stansberry et al. 2008; Lim et al. 2010) point at the

  9. Mid-infrared absorption spectroscopy using quantum cascade lasers

    NASA Astrophysics Data System (ADS)

    Haibach, Fred; Erlich, Adam; Deutsch, Erik

    2011-06-01

    Block Engineering has developed an absorption spectroscopy system based on widely tunable Quantum Cascade Lasers (QCL). The QCL spectrometer rapidly cycles through a user-selected range in the mid-infrared spectrum, between 6 to 12 μm (1667 to 833 cm-1), to detect and identify substances on surfaces based on their absorption characteristics from a standoff distance of up to 2 feet with an eye-safe laser. It can also analyze vapors and liquids in a single device. For military applications, the QCL spectrometer has demonstrated trace explosive, chemical warfare agent (CWA), and toxic industrial chemical (TIC) detection and analysis. The QCL's higher power density enables measurements from diffuse and highly absorbing materials and substrates. Other advantages over Fourier Transform Infrared (FTIR) spectroscopy include portability, ruggedness, rapid analysis, and the ability to function from a distance through free space or a fiber optic probe. This paper will discuss the basic technology behind the system and the empirical data on various safety and security applications.

  10. Differentiation and quality estimation of Cordyceps with infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    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.

  11. Near-infrared spectroscopy as a tool for driving research.

    PubMed

    Liu, Tao; Pelowski, Matthew; Pang, Changle; Zhou, Yuanji; Cai, Jianfeng

    2016-03-01

    Driving a motor vehicle requires various cognitive functions to process surrounding information, to guide appropriate actions, and especially to respond to or integrate with numerous contextual and perceptual hindrances or risks. It is, thus, imperative to examine driving performance and road safety from a perspective of cognitive neuroscience, which considers both the behaviour and the functioning of the brain. However, because of technical limitations of current brain imaging approaches, studies have primarily adopted driving games or simulators to present participants with simulated driving environments that may have less ecological validity. Near-infrared spectroscopy (NIRS) is a relatively new, non-invasive brain-imaging technique allowing measurement of brain activations in more realistic settings, even within real motor vehicles. This study reviews current NIRS driving research and explores NIRS' potential as a new tool to examine driving behaviour, along with various risk factors in natural situations, promoting our understanding about neural mechanisms of driving safety. Practitioner Summary: Driving a vehicle is dependent on a range of neurocognitive processing abilities. Near-infrared spectroscopy (NIRS) is a non-invasive brain-imaging technique allowing measurement of brain activation even in on-road studies within real motor vehicles. This study reviews current NIRS driving research and explores the potential of NIRS as a new tool to examine driving behaviour.

  12. Ante mortem identification of BSE from serum using infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Schmitt, Jürgen; Lasch, Peter; Beekes, Michael; Udelhoven, Thomas; Eiden, Michael; Fabian, Heinz; Petrich, Wolfgang H.; Naumann, Dieter

    2004-07-01

    In our former studies a diagnostic approach for the detection of transmissible spongiform encephalopaties (TSE) based on FT-IR spectroscopy in combination with artificial neural networks was described, based on a controlled animal study with terminally ill Syrian hamsters and control animals. As a consequence of the bovine spongiform encephalopathy (BSE) crisis in Europe, the development of a disgnostic ante mortem test for cattle has become a matter of great scientific importance and public interest. Since 1986 more than 180,000 clinical cases of BSE have been observed in the UK alone. Most of these cases were confirmed by post mortem examination of brain tissue. However, BSE-related risk assessment and risk-management would greatly benefit from ante mortem testing on living animals. For example, a serum-based test could allow for screening of the cattle population, thus, even a BSE eradication program would be conceivable. Here we report on a novel method for ante mortem BSE testing, which combines infrared spectroscopy of serum samples with multivariate pattern recognition analysis. A classification algorithm was trained using infrared spectra of sera from more than 800 animals from a field study (including BSE positive, healthy controls and animals suffering from viral or bacterial infections). In two validation studies sensitivities of 85% and 87% and specificities of 84% and 91% were achieved, respectively. The combination of classification algorithms increased sensitivity and specificity to 96% and 92%, respectively.

  13. INFRARED SPECTROSCOPY OF INTERMEDIATE-MASS YOUNG STELLAR OBJECTS

    SciTech Connect

    Pitann, Jan; Bouwman, Jeroen; Krause, Oliver; Henning, Thomas; Hennemann, Martin

    2011-12-10

    In this paper, we present Spitzer Infrared Spectrograph spectroscopy for 14 intermediate-mass young stellar objects (YSOs). We use Spitzer spectroscopy to investigate the physical properties of these sources and their environments. Our sample can be divided into two types of objects: young isolated, embedded objects with spectra that are dominated by ice and silicate absorption bands, and more evolved objects that are dominated by extended emission from polycyclic aromatic hydrocarbons (PAHs) and pure H{sub 2} rotational lines. We are able to constrain the illuminating FUV fields by classifying the PAH bands below 9 {mu}m. For most of the sources we are able to detect several atomic fine structure lines. In particular, the [Ne II] line appearing in two regions could originate from unresolved photodissociation regions or J-shocks. We relate the identified spectral features to observations obtained from NIR through submillimeter imaging. The spatial extent of several H{sub 2} and PAH bands is matched with morphologies identified in previous Infrared Array Camera observations. This also allows us to distinguish between the different H{sub 2} excitation mechanisms. In addition, we calculate the optical extinction from the silicate bands and use this to constrain the spectral energy distribution fit, allowing us to estimate the masses of these YSOs.

  14. Identifications of household's spores using mid infrared spectroscopy.

    PubMed

    Dixit, Vivechana; Cho, Byoung Kwan; Obendorf, Kay; Tewari, Jagdish

    2014-04-05

    Exposure to household fungi is very common both inside and outside the house and can cause health issues. The application of fourier transforms mid infrared spectroscopy (FTIR) as a screening technique for the detection and identification of household fungi was investigated. Early detection and identification of these household pathogens is very important and critical for their control. The current available methods for identification of fungi are time consuming, expensive and not very specific. Mid IR spectroscopy is a reliable and sensitive technique for the detection of spores. FTIR Spectra of four household fungi such as Aspergillus Ochraceus, Aspergillus Niger, Candida Glabrata and Penicillium Roguefortii were recorded in the mid infrared range from 600 to 4000cm(-1) using attenuated total reflectance (ATR) sampling accessory. Chemometrics analysis using principal component analysis (PCA), canonical variate analysis (CVA) and linear discriminant analysis (LDA) were performed to discriminate the fungi samples. Correspondence analysis (CA) was performed in order to visualize the relationship between different spores. An optimum classification of 100% was achieved for four different fungi. Results demonstrated that discriminant analysis of the FTIR spectra of fungi could be used for rapid detection of household fungi. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. Nanosecond Time Resolved and Steady State Infrared Studies of Photoinduced Decomposition of TATB at Ambient and Elevated Pressures

    SciTech Connect

    Glascoe, E A; Zaug, J M; Armstrong, M R; Crowhurst, J C; Grant, C D; Fried, L E

    2009-03-05

    The timescale and/or products of photo-induced decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) were investigated at ambient pressure and compared with products formed at elevated pressure (i.e. 8 GPa). Ultrafast time-resolved infrared and steady state Fourier transform IR (FTIR) spectroscopies were used to probe TATB and its products after photoexcitation with a 5 ns pulse of 532 nm light. At ambient pressure, transient spectra of TATB indicate that the molecule has significantly decomposed within 60 ns; transient spectra also indicate that formation of CO{sub 2}, an observed decomposition product, is complete within 30-40 s. Proof of principle time resolved experiments at elevated pressures were performed and are discussed briefly. Comparison of steady-state FTIR spectra obtained at ambient and elevated pressure (ca. 8 GPa) indicate that the decomposition products vary with pressure. We find evidence for water as a decomposition product only at elevated pressure.

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

    PubMed

    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.

  17. LOCAL LUMINOUS INFRARED GALAXIES. I. SPATIALLY RESOLVED OBSERVATIONS WITH THE SPITZER INFRARED SPECTROGRAPH

    SciTech Connect

    Pereira-Santaella, Miguel; Alonso-Herrero, Almudena; Colina, Luis; Diaz-Santos, Tanio; Rieke, George H.; Engelbracht, Charles W.; Smith, J.-D. T.; Perez-Gonzalez, Pablo G.

    2010-06-15

    We present results from the Spitzer Infrared Spectrograph spectral mapping observations of 15 local luminous infrared galaxies (LIRGs). In this paper, we investigate the spatial variations of the mid-IR emission which includes fine structure lines, molecular hydrogen lines, polycyclic aromatic features (PAHs), continuum emission, and the 9.7 {mu}m silicate feature. We also compare the nuclear and integrated spectra. We find that the star formation takes place in extended regions (several kpc) as probed by the PAH emission, as well as the [Ne II]12.81 {mu}m and [Ne III]15.56 {mu}m emissions. The behavior of the integrated PAH emission and 9.7 {mu}m silicate feature is similar to that of local starburst galaxies. We also find that the minima of the [Ne III]15.56 {mu}m/[Ne II]12.81 {mu}m ratio tends to be located at the nuclei and its value is lower than that of H II regions in our LIRGs and nearby galaxies. It is likely that increased densities in the nuclei of LIRGs are responsible for the smaller nuclear [Ne III]15.56 {mu}m/[Ne II]12.81 {mu}m ratios. This includes the possibility that some of the most massive stars in the nuclei are still embedded in ultracompact H II regions. In a large fraction of our sample, the 11.3 {mu}m PAH emission appears more extended than the dust 5.5 {mu}m continuum emission. We find a dependency of the 11.3 {mu}m PAH/7.7 {mu}m PAH and [Ne II]12.81 {mu}m/11.3 {mu}m PAH ratios with the age of the stellar populations. Smaller and larger ratios, respectively, indicate recent star formation. The estimated warm (300 K

  18. In situ and time-resolved infrared detection of the reactivity induced by electrons in polymer films

    NASA Astrophysics Data System (ADS)

    Bouhier, M.; Vigneron, G.; Ngono-Ravache, Y.; Shirdhonkar, M.; Renault, J. P.; Le Caër, S.

    2017-03-01

    The real time and in situ analysis of chemical reactions such as polymerization reactions, polymer degradation, and oxidation of polymers is of utmost importance. Surprisingly, only few experimental tools allowing this are available. To bridge this gap, we have developed a new experimental setup coupling a 60 keV electron gun with an infrared spectrometer operating in the mid-IR region (800-4000 cm-1) and associated with the rapid scan mode. The measurements are performed using the infrared reflection absorption spectroscopy approach. We worked here with 0.5-25 ms pulses for which the dose per pulse ranges from 4 to 200 kGy. Combining pulse electrons with rapid scan analysis enables performing experiments with a time resolution of 80 ms (and above). Therefore, this new platform can, for instance, give direct insights into reaction mechanisms at stake during the degradation of polymers. First results on a bisphenol A polycarbonate irradiated under vacuum enabling the validation of this new setup and also the recording of time-resolved spectra are presented. Reaction mechanisms are then proposed.

  19. Photoacoustic infrared spectroscopy of Syncrude post-extraction oil sand

    NASA Astrophysics Data System (ADS)

    Michaelian, Kirk H.; Hall, Robert H.; Kenny, Kimberly I.

    2006-06-01

    Rapid- and step-scan photoacoustic (PA) infrared spectra of three fractions of a Syncrude post-extraction oil sand were analyzed in detail in this work. The rapid-scan spectra showed that the samples were comprised primarily of kaolinite, quartz, silica, siderite, and residual hydrocarbons, and that the proportions of these constituents were different for each fraction. Depth profiling of the three post-extraction oil sands was accomplished using both rapid- and step-scan PA infrared spectroscopy. The results confirmed that kaolinite is more abundant in the near-surface region, whereas quartz and hydrocarbons are concentrated at greater depths. The modulation frequency dependence of the PA intensities for all three fractions was consistent with a model in which the samples are thermally thick; in other words, the thermal diffusion length (roughly equal to the sampling depth) was less than the particle sizes of all three samples. The results of this study are consistent with published reports on the PA infrared spectra of fine tailings generated during bitumen extraction and the spectroscopic and thermophysical characterization of clay soils and an appropriate model clay.

  20. Photoacoustic infrared spectroscopy of Syncrude post-extraction oil sand.

    PubMed

    Michaelian, Kirk H; Hall, Robert H; Kenny, Kimberly I

    2006-06-01

    Rapid- and step-scan photoacoustic (PA) infrared spectra of three fractions of a Syncrude post-extraction oil sand were analyzed in detail in this work. The rapid-scan spectra showed that the samples were comprised primarily of kaolinite, quartz, silica, siderite, and residual hydrocarbons, and that the proportions of these constituents were different for each fraction. Depth profiling of the three post-extraction oil sands was accomplished using both rapid- and step-scan PA infrared spectroscopy. The results confirmed that kaolinite is more abundant in the near-surface region, whereas quartz and hydrocarbons are concentrated at greater depths. The modulation frequency dependence of the PA intensities for all three fractions was consistent with a model in which the samples are thermally thick; in other words, the thermal diffusion length (roughly equal to the sampling depth) was less than the particle sizes of all three samples. The results of this study are consistent with published reports on the PA infrared spectra of fine tailings generated during bitumen extraction and the spectroscopic and thermophysical characterization of clay soils and an appropriate model clay.

  1. Infrared spectroscopy as a screening technique for colitis

    NASA Astrophysics Data System (ADS)

    Titus, Jitto; Ghimire, Hemendra; Viennois, Emilie; Merlin, Didier; Perera, A. G. Unil

    2017-05-01

    There remains a great need for diagnosis of inflammatory bowel disease (IBD), for which the current technique, colonoscopy, is not cost-effective and presents a non-negligible risk for complications. Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy is a new screening technique to evaluate colitis. Comparing infrared spectra of sera to study the differences between them can prove challenging due to the complexity of its biological constituents giving rise to a plethora of vibrational modes. Overcoming these inherent infrared spectral analysis difficulties involving highly overlapping absorbance peaks and the analysis of the data by curve fitting to improve the resolution is discussed. The proposed technique uses colitic and normal wild type mice dried serum to obtain ATR/FTIR spectra to effectively differentiate colitic mice from normal mice. Using this method, Amide I group frequency (specifically, alpha helix to beta sheet ratio of the protein secondary structure) was identified as disease associated spectral signature in addition to the previously reported glucose and mannose signatures in sera of chronic and acute mice models of colitis. Hence, this technique will be able to identify changes in the sera due to various diseases.

  2. Investigating lignin key features in maize lignocelluloses using infrared spectroscopy.

    PubMed

    Chazal, Richard; Robert, Paul; Durand, Sylvie; Devaux, Marie-Françoise; Saulnier, Luc; Lapierre, Catherine; Guillon, Fabienne

    2014-01-01

    Lignins and their cross-linking to hemicelluloses detrimentally affect the cellulose-to-ethanol conversion of grass lignocelluloses. Screening appropriate grass cell walls and their compositional changes during the various steps of the process calls for a high-throughput analytical technique. Such a performance can be fulfilled by Fourier transform mid-infrared (FT-MIR) spectroscopy. In the present paper, a set of maize cell walls from mature stems were selected, including brown midrib samples. Lignin fractions were isolated by mild acidolysis to obtain a set of purified maize lignin standards. The lignin content and the percentage of lignin-derived p-hydroxyphenyl (H), guaiacyl (G), and syringyl (S) thioacidolysis monomers were determined. In addition, the composition of cell wall polysaccharides, as well as the amount of ester-linked p-coumaric (CA) and ferulic (FA) acids, was measured by wet chemistry. Partial least square (PLS) analyses were applied to infrared and chemical data of cell walls. The resulting models showed a good predictive ability with regard to the lignin content, to the frequency of S (or G) thioacidolysis monomers, and to the level of ester-linked CA of maize cell walls. The loading plots and regression coefficients revealed relevant infrared absorption bands.

  3. [Study on the soil mid-infrared photoacoustic spectroscopy].

    PubMed

    Du, Chang-wen; Zhou, Jian-min; Wang, Huo-yan; Zhang, Jia-bao; Zhu, An-ning

    2008-06-01

    Infrared photoacoustic spectroscopy (PAS) is a new style to obtain data based on photoacoustic theory. Photoacoustic thoeory is based on the absorption of electromagnetic radiation by analyte molecules, and the absorbed energy is measured by detecting pressure fluctuations in the form of sound waves or shock pulses. In contrast to conventional absorption spectroscopy, PAS allows the determination of absorption coefficients over several orders of magnitude, even in very black and strongly scattering soil samples. Red soil, fulvic soil and paddy soil were collected from Fengqiu National Ecological Experimental Station, Yingtan Red Soil Experimental Station, and Changshu Ecological Experimental Station, respectively. These soil samples were used as experimental materials to characterize the Fourier transform mid-infrared photoacoustic spectra (FTIR-PAS). Compared with infrared transmittance spectra and reflectance spectra, the testing of FTIR-PAS spectra was very fast and convenient without any pr-treatment, and there were more abundant absorptions as well as appropriate absorption values in the spectra; The main soil components (kaolin, bentonite, sand and CaCO3) also showed several strong absorptions with specific characteristics in the spectra; Further more, the interference of water with the PAS spectra was significantly smaller than that with reflectance spectra. Therefore, the soil properties could be better characterized by FTIR-PAS. The principal components analysis based on the FTIR-PAS spectra indicated that there were two main principal components (PCA1, PCA2) which contained 98.17% variance of the spectra, and the two-dimensionol distribution was made by plotting these two principal components to classify the soil type, and the results indicated that this distribution could be applied to distinguish soil type, which provided new technique for soil identification as well as further quantitative analysis in soil science.

  4. Metallicity determination of M dwarfs. High-resolution infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Lindgren, Sara; Heiter, Ulrike; Seifahrt, Andreas

    2016-02-01

    Context. Several new techniques to determine the metallicity of M dwarfs with better precision have been developed over the last decades. However, most of these studies were based on empirical methods. In order to enable detailed abundance analysis, standard methods established for warmer solar-like stars, i.e. model-dependent methods using fitting of synthetic spectra, still need to be used. Aims: In this work we continue the reliability confirmation and development of metallicity determinations of M dwarfs using high-resolution infrared spectra. The reliability was confirmed through analysis of M dwarfs in four binary systems with FGK dwarf companions and by comparison with previous optical studies of the FGK dwarfs. Methods: The metallicity determination was based on spectra taken in the J band (1.1-1.4 μm) with the CRIRES spectrograph. In this part of the infrared, the density of stellar molecular lines is limited, reducing the amount of blends with atomic lines enabling an accurate continuum placement. Lines of several atomic species were used to determine the stellar metallicity. Results: All binaries show excellent agreement between the derived metallicity of the M dwarf and its binary companion. Our results are also in good agreement with values found in the literature. Furthermore, we propose an alternative way to determine the effective temperature of M dwarfs of spectral types later than M2 through synthetic spectral fitting of the FeH lines in our observed spectra. Conclusions: We have confirmed that a reliable metallicity determination of M dwarfs can be achieved using high-resolution infrared spectroscopy. We also note that metallicites obtained with photometric metallicity calibrations available for M dwarfs only partly agree with the results we obtain from high-resolution spectroscopy. Based on data obtained at ESO-VLT, Paranal Observatory, Chile, Program ID 082.D-0838(A) and 084.D-1042(A).

  5. Infrared molecular binding spectroscopy realized in sorbent coated microfabricated devices

    NASA Astrophysics Data System (ADS)

    McGill, R. Andrew; Stievater, Todd H.; Pruessner, Marcel W.; Holmstrom, Scott A.; Nierenberg, Kerry; McGill, Rachel; Nguyen, Viet; Park, Doewon; Kendziora, Christopher; Furstenberg, Robert

    2014-05-01

    Sorbent materials are utilized in a range of analytical applications including coatings for preconcentrator devices, chromatography stationary phases, and as thin film transducer coatings used to concentrate analyte molecules of interest for detection. In this work we emphasize the use of sorbent materials to target absorption of analyte vapors and examine their molecular interaction with the sorbent by optically probing it with infrared (IR) light. The complex spectral changes which may occur during molecular binding of specific vapors to target sites in a sorbent can significantly aid in analyte detection. In this work a custom hydrogen-bond (HB) acidic polymer, HCSFA2, was used as the sorbent. HCSFA2 exhibits a high affinity for hazardous vapors with hydrogen-bond (HB) basic properties such as the G-nerve agents. Using bench top ATR-FTIR spectroscopy the HFIP hydroxyl stretching frequency has been observed in the mid wave infrared (MWIR) to shift by up to 700 wavenumbers when exposed to a strong HB base. The amount of shift is related to the HB basicity of the vapor. In addition, the large analyte polymer-gas partition coefficients sufficiently concentrate the analyte in the sorbent coating to allow spectral features of the analyte to be observed in the MWIR and long wave infrared (LWIR) while it is sorbed to HCSFA2. These spectral changes, induced by analyte-sorbent molecular binding, provide a rich signal feature space to consider selective detection of a wide range of chemical species as single components or complex mixtures. In addition, we demonstrate an HCSFA2 coated microbridge structure and micromechanical photothermal spectroscopy to monitor spectral changes when a vapor sorbs to HCSFA2. Example ATR-FTIR and microbridge spectra with exposures to dimethylmethylphosphonate (DMMP - G nerve agent simulant) and other vapors are compared. In a generic form we illustrate the concept of this work in Figure 1. The results of this work provide the potential to

  6. Characterizing Aeroallergens by Infrared Spectroscopy of Fungal Spores and Pollen

    PubMed Central

    Zimmermann, Boris; Tkalčec, Zdenko; Mešić, Armin; Kohler, Achim

    2015-01-01

    Background 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. Methodology 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. Results 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. PMID:25867755

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

    PubMed

    Zimmermann, Boris; Tkalčec, Zdenko; Mešić, Armin; Kohler, Achim

    2015-01-01

    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.

  8. Resolving Multiple Molecular Orbitals Using Two-Dimensional High-Harmonic Spectroscopy

    NASA Astrophysics Data System (ADS)

    Yun, Hyeok; Lee, Kyung-Min; Sung, Jae Hee; Kim, Kyung Taec; Kim, Hyung Taek; Nam, Chang Hee

    2015-04-01

    High-harmonic radiation emitted from molecules in a strong laser field contains information on molecular structure and dynamics. When multiple molecular orbitals participate in high-harmonic generation, resolving the contribution of each orbital is crucial for understanding molecular dynamics and for extending high-harmonic spectroscopy to more complicated molecules. We show that two-dimensional high-harmonic spectroscopy can resolve high-harmonic radiation emitted from the two highest-occupied molecular orbitals, HOMO and HOMO-1, of aligned molecules. By the application of an orthogonally polarized two-color laser field that consists of the fundamental and its second-harmonic fields to aligned CO2 molecules, the characteristics attributed to the two orbitals are found to be separately imprinted in odd and even harmonics. Two-dimensional high-harmonic spectroscopy may open a new route to investigate ultrafast molecular dynamics during chemical processes.

  9. Resolving multiple molecular orbitals using two-dimensional high-harmonic spectroscopy.

    PubMed

    Yun, Hyeok; Lee, Kyung-Min; Sung, Jae Hee; Kim, Kyung Taec; Kim, Hyung Taek; Nam, Chang Hee

    2015-04-17

    High-harmonic radiation emitted from molecules in a strong laser field contains information on molecular structure and dynamics. When multiple molecular orbitals participate in high-harmonic generation, resolving the contribution of each orbital is crucial for understanding molecular dynamics and for extending high-harmonic spectroscopy to more complicated molecules. We show that two-dimensional high-harmonic spectroscopy can resolve high-harmonic radiation emitted from the two highest-occupied molecular orbitals, HOMO and HOMO-1, of aligned molecules. By the application of an orthogonally polarized two-color laser field that consists of the fundamental and its second-harmonic fields to aligned CO2 molecules, the characteristics attributed to the two orbitals are found to be separately imprinted in odd and even harmonics. Two-dimensional high-harmonic spectroscopy may open a new route to investigate ultrafast molecular dynamics during chemical processes.

  10. [Rapid determination of beet sugar content using near infrared spectroscopy].

    PubMed

    Yang, Yong; Ren, Jian; Zheng, Xi-Qun; Zhao, Li-Ying; Li, Mao-Mao

    2014-10-01

    In order to classify and set different prices on basis of difference of beet sugar content in the acquisition process and promote the development of beet sugar industry healthily, a fast, nondestructive, accurate method to detect sugar content of beet was determined by applying near infrared spectroscopy technology. Eight hundred twenty samples from 28 representative varieties of beet were collected as calibration set and 70 samples were chosen as prediction set. Then near infrared spectra of calibration set samples were collected by scanning, effective information was extracted from NIR spectroscopy, and the original spectroscopy data was optimized by data preprocessing methods appropriately. Then partial least square(PLS)regression was used to establish beet sugar quantitative prediction mathematical model. The performances of the models were evaluated by the root mean square of cross-validation (RMSECV), the coefficient of determination (R2) of the calibration model and the standard error of prediction (SEP), and the predicted results of these models were compared. Results show that the established mathematical model by using first derivative (FD) and standard normal variate transformation (SNV) coupled with partial least squares has good predictive ability. The R2 of calibration models of sugar content of beet is 0.908 3, and the RMSECV is 0.376 7. Using this model to forecast the prediction set including 70 samples, the correlation coefficient is 0.921 4 between predicted values and measured values, and the standard error of prediction (SEP) is 0.439, without significant difference (p > 0.05) between predicted values and measured values. These results demonstrated that NIRS can take advantage of simple, rapid, nondestructive and environmental detection method and could be applied to predict beet sugar content. This model owned high accuracy and can meet the precision need of determination of beet sugar content. This detection method could be used to classify

  11. Far-infrared spectroscopy of impurities in semiconductors

    NASA Astrophysics Data System (ADS)

    Stradling, R. A.

    1991-06-01

    Far-infrared spectroscopy of the electronic transitions between bound states of impurities provides a very high resolution technique for studying chemical shifts and thereby identifying residual contaminants. The use of photoconductivity generated within the sample itself, usually by the photothermal mechanism ("photothermal ionisation spectroscopy"), enables very high sensitivity to be achieved even with very thin films or ultrahigh-purity material. The current knowledge about the identity of the residual shallow donors in GaAs, InP, InAs and InSb obtained with this technique is reviewed. With high-purity materials the magneto-optical spectrum of the shallow donors can be particularly rich and more than fifty lines can be observed with both GaAs and InP. Hydrostatic pressure provides a valuable additional experimental parameter in studies of impurities. Not only does the pressure-induced increase in mass improve the resolution of the "fine structure" due to different chemical species but additional states can be introduced into the forbidden energy gap. Results with both InSb and GaAs have shown that generally donors in direct-gap III-V materials may be expected to have three types of state: the familiar gamma-associated donors, localised states with A 1 symmetry which are normally resonant within the conduction band and metastable DX states. Negatively charged shallow donor states (D - states) and "molecular" combinations where the electrons are shared between two or more donor sites have been studied by infrared spectroscopy of III-V materials. These states are important precursors of the metal-insulator transition. Recently there have been a number of studies of impurities within quantum wells and heterostructures. The dependence of impurity energy on distance from the well edge has been established and it has been shown that high concentrations of D - states can be formed by remote deping of the structures.

  12. Application of Near Infrared (NIR) Spectroscopy to Peanut Grading and Quality Analysis: Overview

    USDA-ARS?s Scientific Manuscript database

    Techniques using near infrared (NIR) spectroscopy for quality measurements are becoming more popular in food processing and quality inspection of agricultural commodities. NIR spectroscopy has several advantages over conventional physical and chemical analytical methods of food quality analysis. It ...

  13. Fourier Transform Infrared Spectroscopy: Part II. Advantages of FT-IR.

    ERIC Educational Resources Information Center

    Perkins, W. D.

    1987-01-01

    This is Part II in a series on Fourier transform infrared spectroscopy (FT-IR). Described are various advantages of FT-IR spectroscopy including energy advantages, wavenumber accuracy, constant resolution, polarization effects, and stepping at grating changes. (RH)

  14. Fourier Transform Infrared Spectroscopy: Part II. Advantages of FT-IR.

    ERIC Educational Resources Information Center

    Perkins, W. D.

    1987-01-01

    This is Part II in a series on Fourier transform infrared spectroscopy (FT-IR). Described are various advantages of FT-IR spectroscopy including energy advantages, wavenumber accuracy, constant resolution, polarization effects, and stepping at grating changes. (RH)

  15. An inexpensive technique for the time resolved laser induced plasma spectroscopy

    SciTech Connect

    Ahmed, Rizwan Ahmed, Nasar; Iqbal, J.; Aslam Baig, M.

    2016-08-15

    We present an efficient and inexpensive method for calculating the time resolved emission spectrum from the time integrated spectrum by monitoring the time evolution of neutral and singly ionized species in the laser produced plasma. To validate our assertion of extracting time resolved information from the time integrated spectrum, the time evolution data of the Cu II line at 481.29 nm and the molecular bands of AlO in the wavelength region (450–550 nm) have been studied. The plasma parameters were also estimated from the time resolved and time integrated spectra. A comparison of the results clearly reveals that the time resolved information about the plasma parameters can be extracted from the spectra registered with a time integrated spectrograph. Our proposed method will make the laser induced plasma spectroscopy robust and a low cost technique which is attractive for industry and environmental monitoring.

  16. Far-Infrared Imaging Spectroscopy with SAFIRE on SOFIA

    NASA Technical Reports Server (NTRS)

    Shafer, Richard A.; Benford, D. J.; Irwin, K. D.; Moseley, S. H.; Pajot, F.; Stacey, G. J.; Staguhn, J. G.; Fisher, Richard R. (Technical Monitor)

    2001-01-01

    The SOFIA airborne observatory will provide a high spatial resolution, low background telescope for far-infrared astrophysical investigations. Selected as a PI instrument for SOFIA, SAFIRE is an imaging Fabry-Perot spectrograph covering 100 micrometers - 655 micrometers, with spectral resolving power of approx. 1500 (200 kilometers per second). This resolution is well matched to extragalactic emission lines and yields the greatest sensitivity for line detection. SAFIRE will make important scientific contributions to the study of the powering of ULIRGs and AGN, the role of CII cooling in extragalactic star formation, the evolution of matter in the early Universe, and the energetics of the Galactic center. SAFIRE will employ a two-dimensional pop-up barometer array in a 16 x 32 format to provide background-limited imaging spectrometry. Superconducting transition edge barometers and SQUID amplifiers have been developed for these detectors.

  17. Far-Infrared Imaging Spectroscopy with SAFIRE on SOFIA

    NASA Technical Reports Server (NTRS)

    Shafer, Richard A.; Benford, D. J.; Irwin, K. D.; Moseley, S. H.; Pajot, F.; Stacey, G. J.; Staguhn, J. G.; Fisher, Richard R. (Technical Monitor)

    2001-01-01

    The SOFIA airborne observatory will provide a high spatial resolution, low background telescope for far-infrared astrophysical investigations. Selected as a PI instrument for SOFIA, SAFIRE is an imaging Fabry-Perot spectrograph covering 100 micrometers - 655 micrometers, with spectral resolving power of approx. 1500 (200 kilometers per second). This resolution is well matched to extragalactic emission lines and yields the greatest sensitivity for line detection. SAFIRE will make important scientific contributions to the study of the powering of ULIRGs and AGN, the role of CII cooling in extragalactic star formation, the evolution of matter in the early Universe, and the energetics of the Galactic center. SAFIRE will employ a two-dimensional pop-up barometer array in a 16 x 32 format to provide background-limited imaging spectrometry. Superconducting transition edge barometers and SQUID amplifiers have been developed for these detectors.

  18. SAFIRE: Far-Infrared Imaging Spectroscopy with SOFIA

    NASA Technical Reports Server (NTRS)

    Benford, Dominic; Moseley, Harvey; Chervenak, Jay; Irwin, Kent; Pajot, Francois; Shafer, Rick; Staguhn, Johannes; Stacey, Gorden; Oegerle, William (Technical Monitor)

    2002-01-01

    The SOFIA airborne observatory will provide a high spatial resolution, low background telescope for far-infrared astrophysical investigations. Selected as a PI instrument for SOFIA, SAFIRE is an imaging Fabry-Perot spectrograph covering 145 microns-655microns, with spectral resolving power of approx. 1500 (200 kilometers per second). This resolution is well matched to extragalactic emission lines and yields the greatest sensitivity for line detection. SAFIRE will make important scientific contributions to the study of the powering of ULIRGs and AGN, the role of CII cooling in extragalactic star formation, the evolution of matter in the early Universe, and the energetics of the Galactic center. SAFIRE will employ a two-dimensional pop-up bolometer array to provide background limited imaging spectrometry. Superconducting transition edge bolometers and SQUID amplifiers have been developed for these detectors.

  19. Breast tumor characterization using near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Kang, Kyung A.; Chance, Britton; Zhao, Shiyin; Srinivasan, Sudhakar; Patterson, E.; Troupin, R.

    1993-09-01

    NIR time resolved spectroscopy (TRS) is one of the most feasible methods which can be used for the characterization of biological systems, due to its non-invasive nature and safety features in measurement. Breast cancer is the leading cause of death in women ages 40 - 44 and accounts for 32% of all cancer diagnosis in women. The occurrence rate is as high as one out of nine women in the USA. Breast cancer is the most common form of cancer and the second leading cause of cancer death in North America. Therefore, it is natural for researchers in the field of NIR spectroscopy to have strong interest in optical properties of normal and abnormal breast tissue. One of the main interests of NIR spectroscopy in breast cancer is the localization of the tumor. Another important feature is to characterize an anomaly non- invasively since more than 75% of mammographical anomalies are found to be benign. This could reduce the anxiety that the patients would have, as well as lower the clinical expense for the biopsy and operation (approximately $4,000 per a case).

  20. A Herschel resolved far-infrared dust ring around HD 207129

    NASA Astrophysics Data System (ADS)

    Marshall, J. P.; Löhne, T.; Montesinos, B.; Krivov, A. V.; Eiroa, C.; Absil, O.; Bryden, G.; Maldonado, J.; Mora, A.; Sanz-Forcada, J.; Ardila, D.; Augereau, J.-Ch.; Bayo, A.; Del Burgo, C.; Danchi, W.; Ertel, S.; Fedele, D.; Fridlund, M.; Lebreton, J.; González-García, B. M.; Liseau, R.; Meeus, G.; Müller, S.; Pilbratt, G. L.; Roberge, A.; Stapelfeldt, K.; Thébault, P.; White, G. J.; Wolf, S.

    2011-05-01

    Context. Dusty debris discs around main sequence stars are thought to be the result of continuous collisional grinding of planetesimals in the system. The majority of these systems are unresolved and analysis of the dust properties is limited by the lack of information regarding the dust location. Aims: The Herschel DUNES key program is observing 133 nearby, Sun-like stars (<20 pc, FGK spectral type) in a volume limited survey to constrain the absolute incidence of cold dust around these stars by detection of far infrared excess emission at flux levels comparable to the Edgeworth-Kuiper belt (EKB). Methods: We have observed the Sun-like star HD 207129 with Herschel PACS and SPIRE. In all three PACS bands we resolve a ring-like structure consistent with scattered light observations. Using α Boötis as a reference point spread function (PSF), we deconvolved the images, clearly resolving the inner gap in the disc at both 70 and 100 μm. Results: We have resolved the dust-producing planetesimal belt of a debris disc at 100 μm for the first time. We measure the radial profile and fractional luminosity of the disc, and compare the values to those of discs around stars of similar age and/or spectral type, placing this disc in context of other resolved discs observed by Herschel/DUNES. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

  1. Time-resolved step-scan infrared imaging system utilizing a linear array detector.

    PubMed

    Sugiyama, Hiroshi; Koshoubu, Jun; Kashiwabara, Seiichi; Nagoshi, Toshiyuki; Larsen, Richard A; Akao, Kenichi

    2008-01-01

    A time-resolved infrared (IR) imaging system combined with a multichannel IR microscope, which utilizes a 16 channel linear array (LA) detector, and step-scan Fourier transform infrared (FT-IR) microscope was developed. The LA detector integrates a readout circuit on each detector element, so the detected signals can be read simultaneously. Thus, this system can perform high speed imaging using the step-scan method, similar to a single channel detector. To verify the capabilities of this system, a reflective sample was examined whose position was altered using a piezo actuator activated by an alternating voltage. In addition, the localization of relaxation dynamics for the liquid crystal (LC) molecules in an LC cell under oscillating electric field conditions was detected by this system.

  2. Potential of Raman and Infrared Spectroscopy for Plant Analysis

    NASA Astrophysics Data System (ADS)

    Schulz, H.

    2008-11-01

    Various mid-infrared (MIR) and Raman spectroscopic methods applied to the analysis of valuable plant substances or quality parameters in selected horticultural and agricultural crops are presented. Generally, both spectroscopy techniques allow to identify simultaneously characteristic key bands of individual plant components (e.g. carotenoids, alkaloids, polyacetylenes, fatty acids, amino acids, terpenoids). In contrast to MIR methods Raman spectroscopy mostly does not need any sample pre-treatment; even fresh plant material can be analysed without difficulty because water shows only weak Raman scattering properties. In some cases a significant sensivity enhancement of Raman signals can be achieved if the exciting laser wavelength is adjusted to the absorption range of particular plant chromophores such as carotenoids (Resonance Raman effect). Applying FT-IR or FT Raman micro-spectroscopy the distribution of certain plant constituents in the cell wall can be identified without the need for any physical separation. Furthermore it is also possible to analyse secondary metabolites occurring in the cell vacuoles if significant key bands do not coincide with the spectral background of the plant matrix.

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

    PubMed

    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.

  4. Label free detection of phospholipids by infrared absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Ahmed, Tahsin; Foster, Erick; Vigil, Genevieve; Khan, Aamir A.; Bohn, Paul; Howard, Scott S.

    2014-08-01

    We present our study on compact, label-free dissolved lipid sensing by combining capillary electrophoresis separation in a PDMS microfluidic chip online with mid-infrared (MIR) absorption spectroscopy for biomarker detection. On-chip capillary electrophoresis is used to separate the biomarkers without introducing any extrinsic contrast agent, which reduces both cost and complexity. The label free biomarker detection could be done by interrogating separated biomarkers in the channel by MIR absorption spectroscopy. Phospholipids biomarkers of degenerative neurological, kidney, and bone diseases are detectable using this label free technique. These phospholipids exhibit strong absorption resonances in the MIR and are present in biofluids including urine, blood plasma, and cerebrospinal fluid. MIR spectroscopy of a 12-carbon chain phosphatidic acid (PA) (1,2-dilauroyl-snglycero- 3-phosphate (sodium salt)) dissolved in N-methylformamide, exhibits a strong amide peak near wavenumber 1660 cm-1 (wavelength 6 μm), arising from the phosphate headgroup vibrations within a low-loss window of the solvent. PA has a similar structure to many important phospholipids molecules like phosphatidylcholine (PC), phosphatidylinositol (PI), phosphatidylethanolamine (PE), phosphatidylglycerol (PG), and phosphatidylserine (PS), making it an ideal molecule for initial proof-of-concept studies. This newly proposed detection technique can lead us to minimal sample preparation and is capable of identifying several biomarkers from the same sample simultaneously.

  5. Time-resolved pulsed stimulated infrared thermography applied to carbon-epoxy non destructive evaluation

    NASA Astrophysics Data System (ADS)

    Krapez, J.-C.; Boscher, D.; Delpech, Ph.; Deom, A.; Gardette, G.; Balageas, D.

    Since several years, time-resolved pulsed stimulated infrared thermography (SIRT) has been developed at ONERA with the aim of combining fast screening and quantitative characterization. The analysis of pixel by pixel thermograms leads to depth-location and thermal resistance images of delaminations. In this paper we present recent enhancements of the portable SIRT system and refinement of the data reduction procedure which demonstrate the possibility of detecting and evaluating delaminations in C-epoxy at depths higher than 3 mm. A 2-D inversion procedure is proposed to better characterize defects of reduced lateral extend as compared to the former 1-D method.

  6. Spatially resolving variations in giant magnetoresistance, undetectable with four-point probe measurements, using infrared microspectroscopy

    SciTech Connect

    Kelley, C. S.; Thompson, S. M.; Illman, M. D.; LeFrancois, S.; Dumas, P.

    2012-10-15

    Magnetorefractive infrared (IR) microspectroscopy is demonstrated to resolve spatial variations in giant magnetoresistance (GMR) and, by modelling, provide an insight into the origin of the variations. Spatial variations are shown to be masked in conventional four-point probe electrical or IR spectral measurements. IR microspectroscopy was performed at the SMIS beamline at the SOLEIL synchrotron, modified to enable measurements in magnetic fields. A GMR gradient was induced in a CoFe/Cu multilayer sample by annealing in a temperature gradient. Modelling revealed that variations in GMR at 900 Oe could be attributed to local variations in interlayer coupling locally changing the switching field.

  7. Time-resolved infrared absorption studies applied to the study of radical plus molecule reactions

    SciTech Connect

    Bethardy, G.A.; Macdonald, R.G.; Northrup, F.J.

    1994-02-01

    Reaction of the cyano radical (CN) with ethane (C{sub 2}H{sub 6}) was studied using time resolved infrared absorption to monitor the product hydrogen cyanide (HCN) in individual to-vibrational states. Pulse laser photolysis was used to provide an initial excess of the CN radical and the time dependence of individual ro-vibrational states of the high frequency anti-symmetric stretching mode of HCN (0,0,v{sub 3}) was followed. These experiments reveal that the initial product state distribution of HCN is not highly excited in the HCN(0,0,{sub 3}) vibrational manifold.

  8. High-Resolution Infrared Spectroscopy of Imidazole Clusters in Helium Droplets Using Quantum Cascade Lasers

    NASA Astrophysics Data System (ADS)

    Mani, Devendra; Can, Cihad; Pal, Nitish; Schwaab, Gerhard; Havenith, Martina

    2017-06-01

    Imidazole ring is a part of many biologically important molecules and drugs. Imidazole monomer, dimer and its complexes with water have earlier been studied using infrared spectroscopy in helium droplets^{1,2} and molecular beams^{3}. These studies were focussed on the N-H and O-H stretch regions, covering the spectral region of 3200-3800 \\wn. We have extended the studies on imidazole clusters into the ring vibration region. The imidazole clusters were isolated in helium droplets and were probed using a combination of infrared spectroscopy and mass spectrometry. The spectra in the region of 1000-1100 \\wn and 1300-1460 \\wn were recorded using quantum cascade lasers. Some of the observed bands could be assigned to imidazole monomer and higher order imidazole clusters, using pickup curve analysis and ab initio calculations. Work is still in progress. The results will be discussed in detail in the talk. References: 1) M.Y. Choi and R.E. Miller, J. Phys. Chem. A, 110, 9344 (2006). 2) M.Y. Choi and R.E. Miller, Chem. Phys. Lett., 477, 276 (2009). 3) J. Zischang, J. J. Lee and M. Suhm, J. Chem. Phys., 135, 061102 (2011). Note: This work was supported by the Cluster of Excellence RESOLV (Ruhr-Universitat EXC1069) funded by the Deutsche Forschungsgemeinschaft.

  9. Carbogen-induced changes in rat mammary tumour oxygenation reported by near infrared spectroscopy

    PubMed Central

    Hull, E L; Conover, D L; Foster, T H

    1999-01-01

    We have evaluated the ability of steady-state, radially-resolved, broad-band near infrared diffuse reflectance spectroscopy to measure carbogen-induced changes in haemoglobin oxygen saturation (SO2) and total haemoglobin concentration in a rat R3230 mammary adenocarcinoma model in vivo. Detectable shifts toward higher saturations were evident in all tumours (n = 16) immediately after the onset of carbogen breathing. The SO2 reached a new equilibrium within 1 min and remained approximately constant during 200–300 s of administration. The return to baseline saturation was more gradual when carbogen delivery was stopped. The degree to which carbogen increased SO2 was variable among tumours, with a tendency for tumours with lower initial SO2 to exhibit larger changes. Tumour haemoglobin concentrations at the time of peak enhancement were also variable. In the majority of cases, haemoglobin concentration decreased in response to carbogen, indicating that increased tumour blood volume was not responsible for the observed elevation in SO2. We observed no apparent relationship between the extent of the change in tumour haemoglobin concentration and the magnitude of the change in the saturation. Near infrared diffuse reflectance spectroscopy provides a rapid, non-invasive means of monitoring spatially averaged changes in tumour haemoglobin oxygen saturation induced by oxygen modifiers. © 1999 Cancer Research Campaign PMID:10206281

  10. High-resolution synchrotron far infrared spectroscopy of thionyl chloride: Analysis of the ν3 and ν6 fundamental bands

    NASA Astrophysics Data System (ADS)

    Martin-Drumel, Marie-Aline; Mouret, Gaël; Pirali, Olivier; Cuisset, Arnaud

    2015-09-01

    Thionyl chloride (SOCl2) is a volatile inorganic compounds used extensively in industry. Its monitoring in gas phase is critical both for environmental and defense concerns. Previous high-resolution gas phase spectroscopic studies were focused on the microwave region (below 40 GHz) and no rotationally-resolved study of the IR spectrum has been reported to date. We present in this article a rovibrational analysis of the two lowest frequency infrared active bending modes ν3 and ν6 of SOCl2. By means of synchrotron based Fourier-Transform far-infrared spectroscopy on the AILES beamline of the SOLEIL facility, the spectra of the symmetric ν3 (346 cm-1) and asymmetric ν6 (283 cm-1) fundamental bands have been rotationally resolved and analyzed.

  11. High-resolution infrared spectroscopy of HCN-Znn (n = 1-4) clusters: structure determination and comparisons with theory.

    PubMed

    Stiles, Paul L; Miller, Roger E

    2006-05-04

    High-resolution infrared laser spectroscopy has been used to obtain rotationally resolved spectra of HCN-Zn(n) (n = 1-4) complexes formed in helium nanodroplets. In the present study the droplets passed through a metal oven, where the zinc vapor pressure was adjusted until one or more atoms were captured by the droplets. A second pickup cell was then used to dope the droplets with a single HCN molecule. Rotationally resolved infrared spectra are obtained for all of these complexes, providing valuable information concerning their structures. Stark spectra are reported and used to determine the corresponding permanent electric dipole moments. Ab initio calculations are also reported for these complexes for comparison with the experimental results.

  12. Excitation emission and time-resolved fluorescence spectroscopy of selected varnishes used in historical musical instruments.

    PubMed

    Nevin, Austin; Echard, Jean-Philippe; Thoury, Mathieu; Comelli, Daniela; Valentini, Gianluca; Cubeddu, Rinaldo

    2009-11-15

    The analysis of various varnishes from different origins, which are commonly found on historical musical instruments was carried out for the first time with both fluorescence excitation emission spectroscopy and laser-induced time-resolved fluorescence spectroscopy. Samples studied include varnishes prepared using shellac, and selected diterpenoid and triterpenoid resins from plants, and mixtures of these materials. Fluorescence excitation emission spectra have been collected from films of naturally aged varnishes. In parallel, time-resolved fluorescence spectroscopy of varnishes provides means for discriminating between short- (less than 2.0 ns) and long-lived (greater than 7.5 ns) fluorescence emissions in each of these complex materials. Results suggest that complementary use of the two non destructive techniques allows a better understanding of the main fluorophores responsible for the emission in shellac, and further provides means for distinguishing the main classes of other varnishes based on differences in fluorescence lifetime behaviour. Spectrofluorimetric data and time resolved spectra presented here may form the basis for the interpretation of results from future in situ fluorescence examination and time resolved fluorescence imaging of varnished musical instruments.

  13. Time-resolved fluorescence spectroscopy of oil spill detected by ocean lidar

    NASA Astrophysics Data System (ADS)

    Li, Xiao-long; Chen, Yong-hua; Li, Jie; Jiang, Jingbo; Ni, Zuotao; Liu, Zhi-shen

    2016-10-01

    Based on time-resolved fluorescence of oils, an oceanographic fluorescence Lidar was designed to identify oil pollutions. A third harmonic (at 355nm) of Nd:YAG laser is used as the excitation source, and the fluorescence intensities and lifetimes of oil fluorescence at wavelength from 380 nm to 580 nm are measured by an intensified CCD (ICCD). In the experiments, time-resolved fluorescence spectra of 20 oil samples, including crude oils, fuel oils, lubricating oil, diesel oils and gasoline, are analyzed to discuss fluorescence spectral characteristics of samples for oil classification. The spectral characteristics of oil fluorescence obtained by ICCD with delay time of 2 ns, 4 ns, and 6 ns were studied by using the principal component analysis (PCA) method. Moreover, an efficient method is used to improve the recognition rate of the oil spill types, through enlarging spectral differences of oil fluorescence at different delay times. Experimental analysis shows that the optimization method can discriminate between crude oil and fuel oil, and a more accurate classification of oils is obtained by time-resolved fluorescence spectroscopy. As the result, comparing to traditional fluorescence spectroscopy, a higher recognition rate of oil spill types is achieved by time-resolved fluorescence spectroscopy which is also a feasibility technology for Ocean Lidar.

  14. Time-resolved rotational spectroscopy of para-difluorobenzene·Ar

    NASA Astrophysics Data System (ADS)

    Weichert, A.; Riehn, C.; Matylitsky, V. V.; Jarzeba, W.; Brutschy, B.

    2002-07-01

    We report on time-resolved rotational spectroscopy experiments of the cluster para-difluorobenzene·Ar ( pDFB·Ar) by picosecond laser pulses in a supersonic expansion. Rotational coherences of pDFB·Ar are generated by resonant electronic excitation and probed by time-resolved fluorescence depletion spectroscopy and time-resolved photoionization ((1+1') PPI) spectroscopy. The former allows the determination of both ground and excited state rotational constants, whereas the latter technique enables the separate study of the excited state with the benefit of mass-selective detection. Since pDFB·Ar represents a near symmetric oblate rotor, persistent J-type transients with tJ≈ n/2( A+ B) could be measured. From their analysis, (A″+B″)=2234.9±2 MHz and (A'+B')=2237.9±2 MHz were obtained. A structural investigation, based on data of the pDFB monomer, is presented resulting in a pDFB·Ar center-of-mass distance of both moieties of R z=3.543±0.017 Å with a change of ΔR z=-0.057±0.009 Å upon electronic excitation. These results are compared to data of former frequency-resolved experiments and ab initio computations.

  15. Time-domain spectroscopy in the mid-infrared

    NASA Astrophysics Data System (ADS)

    Lanin, A. A.; Voronin, A. A.; Fedotov, A. B.; Zheltikov, A. M.

    2014-10-01

    When coupled to characteristic, fingerprint vibrational and rotational motions of molecules, an electromagnetic field with an appropriate frequency and waveform offers a highly sensitive, highly informative probe, enabling chemically specific studies on a broad class of systems in physics, chemistry, biology, geosciences, and medicine. The frequencies of these signature molecular modes, however, lie in a region where accurate spectroscopic measurements are extremely difficult because of the lack of efficient detectors and spectrometers. Here, we show that, with a combination of advanced ultrafast technologies and nonlinear-optical waveform characterization, time-domain techniques can be advantageously extended to the metrology of fundamental molecular motions in the mid-infrared. In our scheme, the spectral modulation of ultrashort mid-infrared pulses, induced by rovibrational motions of molecules, gives rise to interfering coherent dark waveforms in the time domain. These high-visibility interference patterns can be read out by cross-correlation frequency-resolved gating of the field in the visible generated through ultrabroadband four-wave mixing in a gas phase.

  16. Time-domain spectroscopy in the mid-infrared

    PubMed Central

    Lanin, A. A.; Voronin, A. A.; Fedotov, A. B.; Zheltikov, A. M.

    2014-01-01

    When coupled to characteristic, fingerprint vibrational and rotational motions of molecules, an electromagnetic field with an appropriate frequency and waveform offers a highly sensitive, highly informative probe, enabling chemically specific studies on a broad class of systems in physics, chemistry, biology, geosciences, and medicine. The frequencies of these signature molecular modes, however, lie in a region where accurate spectroscopic measurements are extremely difficult because of the lack of efficient detectors and spectrometers. Here, we show that, with a combination of advanced ultrafast technologies and nonlinear-optical waveform characterization, time-domain techniques can be advantageously extended to the metrology of fundamental molecular motions in the mid-infrared. In our scheme, the spectral modulation of ultrashort mid-infrared pulses, induced by rovibrational motions of molecules, gives rise to interfering coherent dark waveforms in the time domain. These high-visibility interference patterns can be read out by cross-correlation frequency-resolved gating of the field in the visible generated through ultrabroadband four-wave mixing in a gas phase. PMID:25327294

  17. Time-domain spectroscopy in the mid-infrared.

    PubMed

    Lanin, A A; Voronin, A A; Fedotov, A B; Zheltikov, A M

    2014-10-20

    When coupled to characteristic, fingerprint vibrational and rotational motions of molecules, an electromagnetic field with an appropriate frequency and waveform offers a highly sensitive, highly informative probe, enabling chemically specific studies on a broad class of systems in physics, chemistry, biology, geosciences, and medicine. The frequencies of these signature molecular modes, however, lie in a region where accurate spectroscopic measurements are extremely difficult because of the lack of efficient detectors and spectrometers. Here, we show that, with a combination of advanced ultrafast technologies and nonlinear-optical waveform characterization, time-domain techniques can be advantageously extended to the metrology of fundamental molecular motions in the mid-infrared. In our scheme, the spectral modulation of ultrashort mid-infrared pulses, induced by rovibrational motions of molecules, gives rise to interfering coherent dark waveforms in the time domain. These high-visibility interference patterns can be read out by cross-correlation frequency-resolved gating of the field in the visible generated through ultrabroadband four-wave mixing in a gas phase.

  18. High resolution infrared spectroscopy of [1.1.1]propellane

    NASA Astrophysics Data System (ADS)

    Kirkpatrick, Robynne; Masiello, Tony; Jariyasopit, Narumol; Weber, Alfons; Nibler, Joseph W.; Maki, Arthur; Blake, Thomas A.; Hubler, Timothy

    2008-04-01

    The infrared spectrum of [1.1.1]propellane has been recorded at high resolution (0.002 cm -1) with individual rovibrational lines resolved for the first time. This initial report presents the ground state constants for this molecule determined from the analysis of five of the eight infrared-allowed fundamentals ν9(e'), ν10(e'), ν12(e'), ν14(a2″),ν15(a2″), as well as of several combination bands. In nearly all cases it was found that the upper states of the transitions exhibit some degree of perturbation but, by use of the combination difference method, the assigned frequencies provided over 4000 consistent ground state difference values. Analysis of these gave for the parameters of the ground state the following values, in cm -1: B0 = 0.28755833(14), DJ = 1.1313(5) × 10 -7, DJK = -1.2633(7) × 10 -7, HJ = 0.72(4) × 10 -13, HJK = -2.24(13) × 10 -13, and HKJ = 2.25(15) × 10 -13, where the numbers in parentheses indicate twice the uncertainties in the last quoted digit(s) of the parameters. Gaussian ab initio calculations, especially with the computed anharmonic corrections to some of the spectroscopic parameters, assisted in the assignments of the bands and also provided information on the electron distribution in the bridge-head carbon-carbon bond.

  19. Angle-resolved scattering spectroscopy of explosives using an external cavity quantum cascade laser

    SciTech Connect

    Suter, Jonathan D.; Bernacki, Bruce E.; Phillips, Mark C.

    2012-04-01

    Investigation of angle-resolved scattering from solid explosives residues on a car door for non-contact sensing geometries. Illumination with a mid-infrared external cavity quantum cascade laser tuning between 7 and 8 microns was detected both with a sensitive single point detector and a hyperspectral imaging camera. Spectral scattering phenomena were discussed and possibilities for hyperspectral imaging at large scattering angles were outlined.

  20. Infrared spectroscopy of nonclassical ions and their complexes

    SciTech Connect

    Boo, Doo Wan

    1995-01-01

    This thesis describes an infrared spectroscopic study on the structures and dynamics of the nonclassical ions and their complexes, using ion trap vibrational predissociation spectroscopy. Chapter One provides an introduction to the experimental apparatus used in this work. Chapter Two describes the previous theoretical and experimental works on the carbonium ion CH5+ and infrared spectroscopic and theoretical works on CH5+. CH5+ was predicted to scramble constantly without possessing a stable structure. In Chapter Three, the infrared spectroscopy for the molecular hydrogen solvated carbonium ions CH5+(H2)n (n=1-6) in the frequency region of 2700-4200 cm-1 are presented and compared with the results of ab initio molecular dynamics simulation on CH5+(H2)n (n=0-3). The results suggested that the scrambling of CH5+ slowed down considerably by the stabilization effects of the solvent H2 molecules, and it was completely frozen out when the first three H2 molecules were bound to the core CH5+. Chapter Four presents the complete infrared spectra for the solvated carbonium ions, CH5+(A)x(B)y (A,B=H2, Ar, N2, CH4;x,y=0-5) in the frequency region of 2500-3200 cm-1. As the binding affinities of the solvent molecules and the number of the solvent molecules in the clusters increased, the scrambling of CH5+ slowed down substantially. The structures of the solvated carbonium ions and the evidence for rapid proton transfer in CH5+(CH4) were also presented. Chapter Five presents the vib-rotational spectrum for the H-H stretching mode of the silanium ion SiH5+. The results suggested that Si

  1. Tunable near- to mid-infrared pump terahertz probe spectroscopy in reflection geometry

    NASA Astrophysics Data System (ADS)

    Zhang, S. J.; Wang, Z. X.; Dong, T.; Wang, N. L.

    2017-10-01

    Strong-field mid-infrared pump-terahertz (THz) probe spectroscopy has been proven as a powerful tool for light control of different orders in strongly correlated materials. We report the construction of an ultrafast broadband infrared pump-THz probe system in reflection geometry. A two-output optical parametric amplifier is used for generating mid-infrared pulses with GaSe as the nonlinear crystal. The setup is capable of pumping bulk materials at wavelengths ranging from 1.2 μm to 15 μm and beyond, and detecting the subtle, transient photoinduced changes in the reflected electric field of the THz probe at different temperatures. As a demonstration, we present 15 μm pump-THz probe measurements of a bulk EuSbTe3 single crystal. A 0:5% transient change in the reflected THz electric field can be clearly resolved. The widely tuned pumping energy could be used in mode-selective excitation experiments and applied to many strongly correlated electron systems.

  2. High Resolution Infrared Spectroscopy of Molecules of Terrestrial and Planetary Interest

    NASA Technical Reports Server (NTRS)

    Freedman, Richard S.

    2001-01-01

    In collaboration with the laboratory spectroscopy group of the Ames Atmospheric Physics Research Branch (SGP), high resolution infrared spectra of molecules that are of importance for the dynamics of the earth's and other planets' atmospheres were acquired using the SGP high resolution Fourier transform spectrometer and gas handling apparatus. That data, along with data acquired using similar instrumentation at the Kitt Peak National Observatory was analyzed to determine the spectral parameters for each of the rotationally resolved transitions for each molecule. Those parameters were incorporated into existing international databases (e.g. HITRANS and GEISA) so that field measurements could be converted into quantitative information regarding the physical and chemical structures of earth and planetary atmospheres.

  3. Cerebral near-infrared spectroscopy during cardiopulmonary bypass predicts superior vena cava oxygen saturation.

    PubMed

    Ginther, Richard; Sebastian, Vinod A; Huang, Rong; Leonard, Steven R; Gorney, Ronald; Guleserian, Kristine J; Forbess, Joseph M

    2011-08-01

    Cerebral and flank near-infrared spectroscopy are used to monitor tissue oxygenation during cardiopulmonary bypass in pediatric patients. We sought to validate these noninvasive measurements as predictors of oxygen saturation in the superior and inferior venae cavae during cardiopulmonary bypass. Eight patients underwent elective repair of congenital heart defects with bicaval cannulation. Ultrasonic flow probes and oximetric catheters were placed in the superior and inferior venae cavae limbs of the perfusion circuit. Cerebral and flank near-infrared spectroscopy and 12 additional variables were recorded each minute on cardiopulmonary bypass. Relationships between these variables and superior and inferior venae cavae oxygen saturation were analyzed by linear mixed modeling. The regression of superior vena cava oxygen saturation by current cerebral near-infrared spectroscopy and 1-minute lag cerebral near-infrared spectroscopy, which are equivalent to the regression of the superior vena cava saturation by the current cerebral near-infrared spectroscopy and the 1-minute change in cerebral near-infrared spectroscopy, were used to assess cerebral near-infrared spectroscopy as a trend monitor. The mean number of observation time points per patient was 86 (median 72, range 34-194) for 690 total observations. The root mean square percentage error was 6.39% for the prediction model of superior vena cava saturation by single-factor cerebral near-infrared spectroscopy. The root mean square percentage error was 10.8% for the prediction model of inferior vena cava saturation by single-factor flank near-infrared spectroscopy. Cerebral near-infrared spectroscopy accurately predicts superior vena cava oxygen saturation and changes in superior vena cava oxygen saturation on cardiopulmonary bypass. The relationship between flank near-infrared spectroscopy and inferior vena cava saturation is not as strong. Copyright © 2011. Published by Mosby, Inc.

  4. Infrared, Fourier transform far infrared spectroscopy, and viscosimetry research of aqueous-glycol fluids with thickener reology properties

    NASA Astrophysics Data System (ADS)

    Melnikov, Vyacheslav; Komarova, Tatyana; Vatagin, Vladimir; Bronnikova, Alla; Usol'tseva, Nadezhda

    1997-03-01

    At the first time Fourier transform far infrared spectroscopy in sequences with infrared spectroscopy and viscosimetry was applied to research of new water soluble oil composition possessing higher antiwear resistance, and antirust properties than produced by industry ones. A new structure for these compounds like micelleformation or hexagonal mesogenes without optical anisotropy at 55 - 65 degrees Celsius and defined composition have been found. Obtained data are discussed on base of modern advantages in the field of intermolecular interaction.

  5. Rapid and economical data acquisition in ultrafast frequency-resolved spectroscopy using choppers and a microcontroller.

    PubMed

    Guo, Liang; Monahan, Daniele M; Fleming, Graham

    2016-08-08

    Spectrometers and cameras are used in ultrafast spectroscopy to achieve high resolution in both time and frequency domains. Frequency-resolved signals from the camera pixels cannot be processed by common lock-in amplifiers, which have only a limited number of input channels. Here we demonstrate a rapid and economical method that achieves the function of a lock-in amplifier using mechanical choppers and a programmable microcontroller. We demonstrate the method's effectiveness by performing a frequency-resolved pump-probe measurement on the dye Nile Blue in solution.

  6. Angle-Resolved Auger Spectroscopy as a Sensitive Access to Vibronic Coupling.

    PubMed

    Knie, A; Patanen, M; Hans, A; Petrov, I D; Bozek, J D; Ehresmann, A; Demekhin, Ph V

    2016-05-13

    In the angle-averaged excitation and decay spectra of molecules, vibronic coupling may induce the usually weak dipole-forbidden transitions by the excitation intensity borrowing mechanism. The present complementary theoretical and experimental study of the resonant Auger decay of core-to-Rydberg excited CH_{4} and Ne demonstrates that vibronic coupling plays a decisive role in the formation of the angle-resolved spectra by additionally involving the decay rate borrowing mechanism. Thereby, we propose that the angle-resolved Auger spectroscopy can in general provide very insightful information on the strength of the vibronic coupling.

  7. Angle-Resolved Auger Spectroscopy as a Sensitive Access to Vibronic Coupling

    NASA Astrophysics Data System (ADS)

    Knie, A.; Patanen, M.; Hans, A.; Petrov, I. D.; Bozek, J. D.; Ehresmann, A.; Demekhin, Ph. V.

    2016-05-01

    In the angle-averaged excitation and decay spectra of molecules, vibronic coupling may induce the usually weak dipole-forbidden transitions by the excitation intensity borrowing mechanism. The present complementary theoretical and experimental study of the resonant Auger decay of core-to-Rydberg excited CH4 and Ne demonstrates that vibronic coupling plays a decisive role in the formation of the angle-resolved spectra by additionally involving the decay rate borrowing mechanism. Thereby, we propose that the angle-resolved Auger spectroscopy can in general provide very insightful information on the strength of the vibronic coupling.

  8. Infrared spectroscopy of V2+(H2O) complexes

    NASA Astrophysics Data System (ADS)

    Bandyopadhyay, B.; Duncan, M. A.

    2012-03-01

    Doubly charged vanadium-water complexes are produced by laser vaporization in a pulsed supersonic expansion. Size-selected ions are studied with infrared photodissociation spectroscopy in the O-H stretch region using argon complex predissociation. Density functional theory calculations provide structures and vibrational spectra of these ions. The O-H stretches of V2+(H2O) appear at lower frequencies than those of the free water molecule or V+(H2O). The symmetric stretch is more intense than the asymmetric stretch in both V+(H2O) and V2+(H2O) complexes. Spectra of V2+(H2O)Arn (n = 2-7) show that the coordination of the V2+ is filled with six ligands, i.e. one water and five argon atoms.

  9. Near-infrared Spectroscopy in the Brewing Industry.

    PubMed

    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.

  10. Detecting counterfeit antimalarial tablets by near-infrared spectroscopy.

    PubMed

    Dowell, Floyd E; Maghirang, Elizabeth B; Fernandez, Facundo M; Newton, Paul N; Green, Michael D

    2008-11-04

    Counterfeit antimalarial drugs are found in many developing countries, but it is challenging to differentiate between genuine and fakes due to their increasing sophistication. Near-infrared spectroscopy (NIRS) is a powerful tool in pharmaceutical forensics, and we tested this technique for discriminating between counterfeit and genuine artesunate antimalarial tablets. Using NIRS, we found that artesunate tablets could be identified as genuine or counterfeit with high accuracy. Multivariate classification models indicated that this discriminatory ability was based, at least partly, on the presence or absence of spectral signatures related to artesunate. This technique can be field-portable and requires little training after calibrations are developed, thus showing great promise for rapid and accurate fake detection.

  11. Functional Near Infrared Spectroscopy: Watching the Brain in Flight

    NASA Technical Reports Server (NTRS)

    Harrivel, Angela; Hearn, Tristan A.

    2012-01-01

    Functional Near Infrared Spectroscopy (fNIRS) is an emerging neurological sensing technique applicable to optimizing human performance in transportation operations, such as commercial aviation. Cognitive state can be determined via pattern classification of functional activations measured with fNIRS. Operational application calls for further development of algorithms and filters for dynamic artifact removal. The concept of using the frequency domain phase shift signal to tune a Kalman filter is introduced to improve the quality of fNIRS signals in real-time. Hemoglobin concentration and phase shift traces were simulated for four different types of motion artifact to demonstrate the filter. Unwanted signal was reduced by at least 43%, and the contrast of the filtered oxygenated hemoglobin signal was increased by more than 100% overall. This filtering method is a good candidate for qualifying fNIRS signals in real time without auxiliary sensors.

  12. Functional Near Infrared Spectroscopy: Watching the Brain in Flight

    NASA Technical Reports Server (NTRS)

    Harrivel, Angela; Hearn, Tristan

    2012-01-01

    Functional Near Infrared Spectroscopy (fNIRS) is an emerging neurological sensing technique applicable to optimizing human performance in transportation operations, such as commercial aviation. Cognitive state can be determined via pattern classification of functional activations measured with fNIRS. Operational application calls for further development of algorithms and filters for dynamic artifact removal. The concept of using the frequency domain phase shift signal to tune a Kalman filter is introduced to improve the quality of fNIRS signals in realtime. Hemoglobin concentration and phase shift traces were simulated for four different types of motion artifact to demonstrate the filter. Unwanted signal was reduced by at least 43%, and the contrast of the filtered oxygenated hemoglobin signal was increased by more than 100% overall. This filtering method is a good candidate for qualifying fNIRS signals in real time without auxiliary sensors

  13. [Near infrared spectroscopy of wood sections and rapid density prediction].

    PubMed

    Jiang, Ze-hui; Huang, An-min; Wang, Bin

    2006-06-01

    In the present report, the use of calibrated near infrared (NIR) spectroscopy for rapid prediction of solid wood density is described. NIR spectra were obtained from the three sections (cross, radial and tangential section) of each Chinese fir sample. The authors found that the spectra of the three sections are different and the correlation coefficients between the laboratory-determined density and the NIR-fitted data are different, too. The prediction results showed that the model based on NIR spectra taken from the cross section is the best, and the correlation coefficients are 0.94 (cross), 0.85 (radial) and 0.81 (tangential), respectively. Using the cross model to predict the density of unknown wood samples, we can see: r2 is 0.977 and the standard deviation (STDEV) is only 0.006.

  14. Development of Noninvasive Blood Glucose Sensor Using the Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Fujita, Keiichi; Tamura, Kazuto; Kaneko, Wataru; Ishizawa, Hiroaki; Toba, Eiji

    Recently, diabetics have been steadily increasing, because change of diet, lack of exercise, increase an alcoholic intake, and increase a stress. It is a very serious problem for us. About 23.6 millions of people in Japan approach the danger of diabetes. Therefore, it is necessary to get insulin injection. And they have to measure blood glucose again and again a day. So, they are burden too heavy. This paper describes a new noninvasive measurement of blood glucose based on optical sensing. This uses Fourier transform infrared spectroscopy of attenuated total reflection. Non-invasive measurement was carried out by using 3 methods. And standard error of prediction is about ±20mg/dl by 3 method. This paper also describes practical application of this method.

  15. Discrimination and content analysis of fritillaria using near infrared spectroscopy.

    PubMed

    Meng, Yu; Wang, Shisheng; Cai, Rui; Jiang, Bohai; Zhao, Weijie

    2015-01-01

    Fritillaria is a traditional Chinese herbal medicine which can be used to moisten the lungs. The objective of this study is to develop simple, accurate, and solvent-free methods to discriminate and quantify Fritillaria herbs from seven different origins. Near infrared spectroscopy (NIRS) methods are established for the rapid discrimination of seven different Fritillaria samples and quantitative analysis of their total alkaloids. The scaling to first range method and the partial least square (PLS) method are used for the establishment of qualitative and quantitative analysis models. As a result of evaluation for the qualitative NIR model, the selectivity values between groups are always above 2, and the mistaken judgment rate of fifteen samples in prediction sets was zero. This means that the NIR model can be used to distinguish different species of Fritillaria herbs. The established quantitative NIR model can accurately predict the content of total alkaloids from Fritillaria samples.

  16. Aquaphotomics: Near Infrared Spectroscopy and Water States in Biological Systems.

    PubMed

    Tsenkova, Roumiana; Kovacs, Zoltan; Kubota, Yosuke

    2015-01-01

    Aquaphotomics is a new discipline that provides a framework for understanding changes in water molecular system presented as a water spectral pattern, to mirror the rest of the solution and to give a holistic description related to system functionality. One of its main purposes is to identify water bands as main coordinates of future absorbance patterns to be used as a system biomarker. This chapter presents the Aquaphotomics methodology and illustrates a way to identify specific water bands using temperature change and addition of solutions of different ionic strength as perturbations. Rapid and precise measurement of low concentration solutes has been given as a strong evidence of the vast information that "the water spectral pattern as molecular mirror" approach provides. Few applications using near infrared spectroscopy and multivariate analysis as main tools of Aquaphotomics have been presented.

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

    NASA Astrophysics Data System (ADS)

    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 (<300 ppt) measurements of propane using high resolution mid-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.

  18. Identification of Amanita mushrooms by fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhao, Dezhang; Liu, Gang; Song, Dingshan; Liu, Jian-hong; Zhou, Yilan; Ou, Jiaming; Sun, Shizhong

    2006-09-01

    Amanita is one of cosmopolitan genera of basidiomycetes. This genus contains some of the most poisonous toadstools, as well as several species of the most favorite edible mushrooms. In this paper, Fourier transform infrared spectroscopy was used for obtaining vibrational spectra of the fruiting bodies of wild growing Amanita mushrooms. The results show that the mushrooms exhibit characteristic spectra, whose strong absorption bands appear at about 1655, 1076, and 1040 cm -1. The vibrational spectra indicate that the main compositions of the Amanita mushrooms are proteins and polysaccharides. The observed spectral differences might be used to discriminate different species of Amanita. It is showed that FTIR spectroscopic method is a valuable tool for rapid and nondestructive identification of Amanita mushrooms.

  19. Mid-Infrared Spectroscopy of Persistent Leonid Trains

    NASA Technical Reports Server (NTRS)

    Russell, Ray W.; Rossano, George S.; Chatelain, Mark A.; Lynch, David K.; Tessensohn, Ted K.; Abendroth, Eric; Kim, Daryl; Jenniskens, Peter; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    The first infrared spectroscopy in the 3-13 micron region has been obtained of several persistent Leonid meteor trains with two different instrument types, one at a desert ground-based site and the other on-board a high-flying aircraft. The spectra exhibit common structures assigned to enhanced emissions of warm CH4, CO2, CO and H2O which may originate from heated trace air compounds or materials created in the wake of the meteor. This is the first time that any of these molecules has been observed in the spectra of persistent trains. Hence, the mid-IR observations offer a new perspective on the physical processes that occur in the path of the meteor at some time after the meteor itself has passed by. Continuum emission is observed also, but its origin has not yet been established. No 10 micron dust emission feature has been observed.

  20. Chemical analysis of surgical smoke by infrared laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Gianella, Michele; Sigrist, Markus W.

    2012-11-01

    The chemical composition of surgical smoke, a gaseous by-product of some surgical devices—lasers, drills, vessel sealing devices—is of great interest due to the many toxic components that have been found to date. For the first time, surgical smoke samples collected during routine keyhole surgery were analyzed with infrared laser spectroscopy. Traces (ppm range) of methane, ethane, ethylene, carbon monoxide and sevoflurane were detected in the samples which consisted mostly of carbon dioxide and water vapor. Except for the anaesthetic sevoflurane, none of the compounds were present at dangerous concentrations. Negative effects on the health of operation room personnel can be excluded for many toxic compounds found in earlier studies, since their concentrations are below recommended exposure limits.