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Sample records for infrared reflection-absorption spectroscopy

  1. Reflection-Absorption Infrared Spectroscopy of Thin Films Using an External Cavity Quantum Cascade Laser

    SciTech Connect

    Phillips, Mark C.; Craig, Ian M.; Blake, Thomas A.

    2013-02-04

    We present experimental demonstrations using a broadly tunable external cavity quantum cascade laser (ECQCL) to perform Reflection-Absorption InfraRed Spectroscopy (RAIRS) of thin layers and residues on surfaces. The ECQCL compliance voltage was used to measure fluctuations in the ECQCL output power and improve the performance of the RAIRS measurements. Absorption spectra from self-assembled monolayers of a fluorinated alkane thiol and a thiol carboxylic acid were measured and compared with FTIR measurements. RAIRS spectra of the explosive compounds PETN, RDX, and tetryl deposited on gold substrates were also measured. Rapid measurement times and low noise were demonstrated, with < 1E-3 absorbance noise for a 10 second measurement time.

  2. Reflection-absorption infrared spectroscopy of thin films using an external cavity quantum cascade laser

    NASA Astrophysics Data System (ADS)

    Phillips, Mark C.; Craig, Ian M.; Blake, Thomas A.

    2013-01-01

    We present experimental demonstrations using a broadly tunable external cavity quantum cascade laser (ECQCL) to perform Reflection-Absorption InfraRed Spectroscopy (RAIRS) of thin layers and residues on surfaces. The ECQCL compliance voltage was used to measure fluctuations in the ECQCL output power and improve the performance of the RAIRS measurements. Absorption spectra from self-assembled monolayers of a fluorinated alkane thiol and a thiol carboxylic acid were measured and compared with FTIR measurements. RAIRS spectra of the explosive compounds PETN, RDX, and tetryl deposited on gold substrates were also measured. Rapid measurement times and low noise were demonstrated, with <1E-3 absorbance noise for a 10 second measurement time.

  3. Infrared Reflection-Absorption Spectroscopy: Principles and Applications to Lipid-Protein Interaction in Langmuir Films

    PubMed Central

    Mendelsohn, Richard; Mao, Guangru; Flach, Carol R.

    2010-01-01

    Infrared reflection-absorption spectroscopy (IRRAS) of lipid/protein monolayer films in situ at the air/water interface provides unique molecular structure and orientation information from the film constituents. The technique is thus well suited for studies of lipid/protein interaction in a physiologically relevant environment. Initially, the nature of the IRRAS experiment is described and the molecular structure information that may be obtained is recapitulated. Subsequently, several types of applications, including the determination of lipid chain conformation and tilt as well as elucidation of protein secondary structure are reviewed. The current article attempts to provide the reader with an understanding of the current capabilities of IRRAS instrumentation and the type of results that have been achieved to date from IRRAS studies of lipids, proteins and lipid/protein films of progressively increasing complexity. Finally, possible extensions of the technology are briefly considered. PMID:20004639

  4. Infrared reflection-absorption spectroscopy: principles and applications to lipid-protein interaction in Langmuir films.

    PubMed

    Mendelsohn, Richard; Mao, Guangru; Flach, Carol R

    2010-04-01

    Infrared reflection-absorption spectroscopy (IRRAS) of lipid/protein monolayer films in situ at the air/water interface provides unique molecular structure and orientation information from the film constituents. The technique is thus well suited for studies of lipid/protein interaction in a physiologically relevant environment. Initially, the nature of the IRRAS experiment is described and the molecular structure information that may be obtained is recapitulated. Subsequently, several types of applications, including the determination of lipid chain conformation and tilt as well as elucidation of protein secondary structure are reviewed. The current article attempts to provide the reader with an understanding of the current capabilities of IRRAS instrumentation and the type of results that have been achieved to date from IRRAS studies of lipids, proteins, and lipid/protein films of progressively increasing complexity. Finally, possible extensions of the technology are briefly considered. PMID:20004639

  5. Interaction of ester functional groups with aluminum oxide surfaces studied using infrared reflection absorption spectroscopy.

    PubMed

    van den Brand, J; Blajiev, O; Beentjes, P C J; Terryn, H; de Wit, J H W

    2004-07-20

    The bonding of two types of ester group-containing molecules with a set of different oxide layers on aluminum has been investigated using infrared reflection absorption spectroscopy. The different oxide layers were made by giving typical surface treatments to the aluminum substrate. The purpose of the investigation was to find out what type of ester-oxide bond is formed and whether this is influenced by changes in the composition and chemistry of the oxide. The extent by which these bonded ester molecules resisted disbondment in water or substitution by molecules capable of chemisorption was also investigated. The ester groups were found to show hydrogen bonding with hydroxyls on the oxide surfaces through their carbonyl oxygens. For all oxides, the ester groups showed the same nu(C = O) carbonyl stretching vibration after adsorption, indicating very similar bonding occurs. However, the oxides showed differences in the amount of molecules bonded to the oxide surface, and a clear relation was observed with the hydroxyl concentration present on the oxide surface, which was determined from XPS measurements. The two compounds showed differences in the free to bonded nu(C = O) infrared peak shift, indicating differences in bonding strength with the oxide surface between the two types of molecules. The bonding of the ester groups with the oxide surfaces was found to be not stable in the presence of water and also not in the presence of a compound capable of chemisorption with the aluminum oxide surface. PMID:15248718

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

    SciTech Connect

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

    2014-01-15

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

  7. Detection of High Explosives Using Reflection Absorption Infrared Spectroscopy with Fiber Coupled Grazing Angle Probe/FTIR

    NASA Astrophysics Data System (ADS)

    Primera-Pedrozo, Oliva M.; Soto-Feliciano, Yadira M.; Pacheco-Londoño, Leonardo C.; Hernández-Rivera, Samuel P.

    2009-06-01

    Fiber Optic Coupled Reflection/Absorption Infrared Spectroscopy (RAIRS) has been investigated as a potential technique for developing methodologies of detection and quantification of explosive residues on metallic surfaces. TNT, DNT, HMX, PETN, and Tetryl were detected at loading concentrations less than 400 ng/cm2. Data were analyzed using Chemometrics statistical analysis routines. In particular, partial least squares multivariate analysis (PLS) was used for quantification studies. Peak areas were also used for data analysis to compare with linear multivariate analysis. The measurements resulted in intense absorption bands in the fingerprint region of the infrared spectrum that were used to quantify the target threat chemicals and to calculate the limit of detection for each compound. Micro-RAIRS vibrational imaging was also used for characterization of the distribution and form of layers of explosives deposited on stainless steel sheets. The degree of homogeneity depended strongly on the method of deposition. The images were generated by calculating the area under vibrational signals of 15 μm × 15 μm grids with a separation of 15 μm. Histograms of the maps were generated and the homogeneity was evaluated by using standard deviations, mean kurtosis, skewness, and moments of distributions obtained. Methanol solutions of High Explosives (HE) resulted in the optimum distributions on the stainless steel surfaces tested and therefore, Methanol selected as the preferred solvent for the Fiber Optics Coupled-RAIRS experiments.

  8. In situ Studies of Soft- and Reactive Landing of Mass-Selected Ions Using Infrared Reflection Absorption Spectroscopy

    SciTech Connect

    Hu, Qichi; Wang, Peng; Gassman, Paul L.; Laskin, Julia

    2009-09-01

    Grazing incidence infrared reflection absorption spectroscopy (IRRAS) for in situ and in real time characterization of substrates modified by soft- and reactive landing (SL and RL) of complex ions was implemented on a mass-selected ion deposition instrument. Ions produced by electrospray ionization were mass-selected using a quadrupole mass filter and deposited onto inert and reactive self-assembled monolayer (SAM) surfaces. Surface composition during and after ion deposition was monitored using IRRAS. Physisorption of a cyclic peptide, Garmicidin S (GS), was studied for 8 hrs during deposition and additional 12 hrs after the end of deposition. The integrated signal of the characteristic amide bands followed a linear increase during the deposition and stayed unchanged after the deposition was finished. Similar linear increase in IRRAS signal was obtained following reactive deposition of the protonated dodecanediamine onto SAMs of dithiobis (succinimidyl undecanoate) (NHS-SAM) and 16-mercaptohexadecanoic acid fluoride (COF-SAM) on gold. IRRAS allowed us to monitor for the first time the formation of the amide bond between reactive SAM surfaces and the projectile molecule.

  9. Quartz crystal microbalance and infrared reflection absorption spectroscopy characterization of bisphenol A absorption in the poly(acrylate) thin films.

    PubMed

    Li, Guifeng; Morita, Shigeaki; Ye, Shen; Tanaka, Masaru; Osawa, Masatoshi

    2004-02-01

    The absorption process of bisphenol A (BPA) in a number of poly(acrylate) thin films, such as poly(2-methoxyethyl acrylate) (PMEA), poly(ethyl acrylate) (PEA), poly(n-butyl methacrylate) (PBMA), and poly(methyl methacrylate) (PMMA), has been investigated by quartz crystal microbalance (QCM) and infrared reflection absorption spectroscopy (IRRAS) measurements. Both QCM and IRRAS measurements show that the BPA molecules absorb in PMEA, PEA, and PBMA thin films but not in PMMA thin film. The differences in the BPA absorption behavior are mainly attributed to the difference in the glass transition temperature (T(g)) between these polymers. This absorption behavior also depends on the BPA concentration and polymer film thickness. Furthermore, IRRAS characterization demonstrates that the hydrogen bonding is formed between the hydroxyl group in BPA and the carbonyl group in the poly(acrylate) thin films. BPA molecule absorbed in these polymer thin films can be removed by ethanol rinse treatment. By optimizing experimental conditions for the QCM electrode modified by PMEA thin film, detection limitation of approximately 1 ppb for BPA can be realized by the in situ QCM measurement. This method is expected to be a sensitive in situ detection way for trace BPA in the environmental study. PMID:14750877

  10. Oxidation of CO on a Pt-Fe alloy electrode studied by surface enhanced infrared reflection--absorption spectroscopy

    SciTech Connect

    Watanabe, Masahiro; Zhu, Yimin; Uchida, Hiroyuki

    2000-03-02

    To clarify the CO-tolerant mechanism at Pt-based alloy anode catalysts, surface-enhanced infrared reflection-absorption spectroscopy with the attenuated total reflection technique (ATR-SEIRAS), coupled with CV measurement, was used to observe the oxidation process of adsorbed CO on a typical Pt-Fe (Pt-Fe = 0.27/0.73) alloy. The alloy electrode exhibits a lower saturated coverage of CO ({theta}{sub co} = 0.55) than that of pure Pt ({theta}{sub co} = 1.0). The dominating linear CO is observed around 2,000 cm{sup {minus}1} when the equilibrium adlayer of CO covers the alloy electrode; however, linear and bridged CO and also COOH were found at the pure Pt electrode at the same CO coverage in the non-steady-state. On the basis of previous results that a Pt skin is formed during the repetitive potential cycling due to the dissolution of Fe on the alloy surface and the skin exhibits less electronic density in the d band, it can be explained that the lowered linear CO coverage and almost no bridged CO are obtained as the result of the lowered back-donation of d electrons from the Pt skin to adsorbates on the alloy surface. The wavenumber shift of the linear CO stretching to a lower value at the alloy, which is not simple predicted by the lowering of the back-donation of the electron, is ascribed to the weakening of the C -Pt bond. As a presumable effect of the electronic structure change at the Pt skin, the dissociation-oxidation of adsorbed water as well as a formation of adsorbed HOOH species are clearly observed beyond 0.6 V in the electrolyte solution without CO, which is different from that at the pure Pt electrode. Carbonate species can also be detected around 1,300--1,450 cm{sup {minus}1}, which are possibly produced by the surface reaction of CO{sub 2} with water.

  11. Organization of T-shaped facial amphiphiles at the air/water interface studied by infrared reflection absorption spectroscopy.

    PubMed

    Schwieger, Christian; Chen, Bin; Tschierske, Carsten; Kressler, Jörg; Blume, Alfred

    2012-10-11

    We studied the behavior of monolayers at the air/water interface of T-shaped facial amphiphiles which show liquid-crystalline mesophases in the bulk. The compounds are composed of a rigid p-terphenyl core (TP) with two terminal hydrophobic ether linked alkyl chains of equal length and one facial hydrophilic tri(ethylene oxide) chain with a carboxylic acid end group. Due to their amphiphilic nature they form stable Langmuir films at the air/water interface. Depending on the alkyl chain length they show markedly different compression isotherms. We used infrared reflection absorption spectroscopy (IRRAS) to study the changes in molecular organization of the TP films upon compression. We could retrieve information on layer thickness, alkyl chain crystallization, and the orientation of the TP cores within the films. Films of TPs with long (16 carbon atoms: TP 16/3) and short (10 carbon atoms: TP 10/3) alkyl chains were compared. Compression of TP 16/3 leads to crystallization of the terminal alkyl chains, whereas the alkyl chains of TP 10/3 stay fluid over the complete compression range. TP 10/3 shows an extended plateau in the compression isotherm which is due to a layering transition. The mechanism of this layering transition is discussed. Special attention was paid to the question of whether a so-called roll-over collapse occurs during compression. From the beginning to the end of the plateau, the layer thickness is increased from 15 to 38 Å and the orientation of the TP cores changes from parallel to the water surface to isotropic. We conclude that the plateau in the compression isotherm reflects the transition of a TP monolayer to a TP multilayer. The monolayer consists of a sublayer of well-organized TP cores underneath a sublayer of fluid alkyl chains whereas the multilayer consists of a well oriented bottom layer and a disordered top layer. Our findings do not support the model of a roll-over collapse. This study demonstrates how the IRRA band intensity of OH

  12. 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

    2015-03-01

    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) (∼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. PMID:25498816

  13. Design and application of a new cell for in situ infrared reflection-absorption spectroscopy investigations of metal-atmosphere interfaces.

    PubMed

    Kleber, Ch; Kattner, J; Frank, J; Hoffmann, H; Kraft, M; Schreiner, M

    2003-01-01

    A new experimental setup for studying reactions occurring in the metal-atmosphere interface by applying in situ infrared reflection-absorption spectroscopy (IRRAS) is presented. It consists of a gas-mixing unit, where the moist air is generated with or without corrosive gases, the reaction cell for the in situ investigations, and an optical system coupled with a Fourier transform infrared (FT-IR) spectrometer. For testing the unit, a specimen of pure copper was used, where the growth of Cu2O on the polished surface could be observed during time-resolved measurements in synthetic air containing 80% RH (relative humidity). For comparison of the experimental results obtained, a computer simulation program was developed in order to calculate the peak position, the peak height, the peak width, and the thickness of the surface layer formed during the atmospheric corrosion. The simulation software is based on the four-phase model of covered surfaces. PMID:14610941

  14. Pharmaceutical evaluation of carbamazepine modifications: comparative study for photostability of carbamazepine polymorphs by using Fourier-transformed reflection-absorption infrared spectroscopy and colorimetric measurement.

    PubMed

    Matsuda, Y; Akazawa, R; Teraoka, R; Otsuka, M

    1994-03-01

    The tablet surface was evaluated without physical damage by means of Fourier-transform infrared reflection-absorption spectroscopy (FT-IR-RAS) and colorimetric measurement (colour difference, delta E) of the carbamazepine polymorphs I, II and III, after photodegradation at two irradiation intensities (3.0 and 12.0 J cm-2s-1) under a near-UV fluorescent lamp. The surface of sample pellets of all crystalline forms turned gradually from white to yellow-orange upon exposure to light, and the discoloration rate of form II was faster than that of forms I and III, indicating that form II was the most unstable of the three. The major photoproducts were identified by HPLC, NMR and MS analyses. The carbamazepine content on the surface of the tablet was determined based on the absorption at 1685 cm-1 attributable to C=O stretch vibration in the FT-IR-RAS spectra before and after irradiation by a near-UV fluorescent lamp. The semilogarithmic plots of the photodegradation profiles of the various polymorphs were straight lines, including the induction period, indicating that degradation of the drug on the surface followed first-order kinetics. The induction periods of all forms were not significantly different. However, the degradation rate constant of form II at 12.0 J cm-2s-1 was 5.1 and 1.5 times larger than those of forms I and III, respectively. PMID:8027920

  15. A new experimental setup for in situ infrared reflection absorption spectroscopy studies of atmospheric corrosion on metal surfaces considering the influence of ultraviolet light.

    PubMed

    Wiesinger, R; Kleber, Ch; Frank, J; Schreiner, M

    2009-04-01

    The knowledge available regarding the influence of ultraviolet (UV) light on the atmospheric corrosion of materials is very rudimentary. Therefore, a new experimental setup consisting of a cell for studying in situ reactions occurring at the metal/atmosphere interface by simultaneously applying infrared reflection absorption spectroscopy (IRRAS) and quartz crystal microbalance (QCM) measurements was designed and built. The cell presented consists of an acrylic glass body with a UV-light-transparent window mounted in such a way that the sample can be irradiated and weathered under controlled atmospheric conditions under a grazing angle of incidence of the IR beam. This new setup was tested by using a specimen of polycrystalline silver, where the growth of Ag(2)CO(3) and AgOH as basic silver carbonate on the surface could be observed. The weathering tests were carried out in synthetic air containing 90% relative humidity (RH) and 250 ppm CO(2), with and without UV light. The results obtained from the IRRAS spectra could be perfectly correlated with the in situ QCM data. PMID:19366514

  16. An experimental set-up to apply polarization modulation to infrared reflection absorption spectroscopy for improved in situ studies of atmospheric corrosion processes

    SciTech Connect

    Wiesinger, R.; Schade, U.; Kleber, Ch.; Schreiner, M.

    2014-06-15

    A new set-up for improved monitoring of atmospheric corrosion processes in situ and in real-time is presented. To characterize chemical structures of thin films on metal surfaces surface sensitive analytical techniques are required. One possible technique is Infrared Reflection Absorption Spectroscopy (IRRAS) which has become an established method to investigate surface corrosion films of thicknesses less than 200 nm. However, there are limitations related to the sensitivity of these measurements, in case of investigating ultrathin films or absorption bands of interest, surface species are superimposed by atmospheric background absorption, which changes during in situ measurements in ambient atmospheres. These difficulties of in situ surface reflection measurements can be eliminated by availing the polarization selectivity of adsorbed surface species. At grazing angles of incidence the absorption of p-polarized infrared radiation by thin surface films on metals is enhanced, while the absorption of s-polarized light by this film is nearly zero. This different behavior of the polarization properties leads to strong selection rules at the surface and can therefore be used to identify molecules adsorbed on metal surfaces. Polarization Modulation (PM) of the infrared (IR) light takes advantage of this disparity of polarization on sample surfaces and in combination with IRRAS yielding a very sensitive and surface-selective method for obtaining IR spectra of ultra-thin films on metal surfaces. An already existing in situ IRRAS/Quartz Crystal Microbalance weathering cell was combined with PM and evaluated according to its applicability to study in situ atmospheric corrosion processes. First real-time measurements on silver samples exposed to different atmospheres were performed showing the advantage of PM-IRRAS compared to conventional IRRAS for such investigations.

  17. An experimental set-up to apply polarization modulation to infrared reflection absorption spectroscopy for improved in situ studies of atmospheric corrosion processes.

    PubMed

    Wiesinger, R; Schade, U; Kleber, Ch; Schreiner, M

    2014-06-01

    A new set-up for improved monitoring of atmospheric corrosion processes in situ and in real-time is presented. To characterize chemical structures of thin films on metal surfaces surface sensitive analytical techniques are required. One possible technique is Infrared Reflection Absorption Spectroscopy (IRRAS) which has become an established method to investigate surface corrosion films of thicknesses less than 200 nm. However, there are limitations related to the sensitivity of these measurements, in case of investigating ultrathin films or absorption bands of interest, surface species are superimposed by atmospheric background absorption, which changes during in situ measurements in ambient atmospheres. These difficulties of in situ surface reflection measurements can be eliminated by availing the polarization selectivity of adsorbed surface species. At grazing angles of incidence the absorption of p-polarized infrared radiation by thin surface films on metals is enhanced, while the absorption of s-polarized light by this film is nearly zero. This different behavior of the polarization properties leads to strong selection rules at the surface and can therefore be used to identify molecules adsorbed on metal surfaces. Polarization Modulation (PM) of the infrared (IR) light takes advantage of this disparity of polarization on sample surfaces and in combination with IRRAS yielding a very sensitive and surface-selective method for obtaining IR spectra of ultra-thin films on metal surfaces. An already existing in situ IRRAS/Quartz Crystal Microbalance weathering cell was combined with PM and evaluated according to its applicability to study in situ atmospheric corrosion processes. First real-time measurements on silver samples exposed to different atmospheres were performed showing the advantage of PM-IRRAS compared to conventional IRRAS for such investigations. PMID:24985826

  18. An experimental set-up to apply polarization modulation to infrared reflection absorption spectroscopy for improved in situ studies of atmospheric corrosion processes

    NASA Astrophysics Data System (ADS)

    Wiesinger, R.; Schade, U.; Kleber, Ch.; Schreiner, M.

    2014-06-01

    A new set-up for improved monitoring of atmospheric corrosion processes in situ and in real-time is presented. To characterize chemical structures of thin films on metal surfaces surface sensitive analytical techniques are required. One possible technique is Infrared Reflection Absorption Spectroscopy (IRRAS) which has become an established method to investigate surface corrosion films of thicknesses less than 200 nm. However, there are limitations related to the sensitivity of these measurements, in case of investigating ultrathin films or absorption bands of interest, surface species are superimposed by atmospheric background absorption, which changes during in situ measurements in ambient atmospheres. These difficulties of in situ surface reflection measurements can be eliminated by availing the polarization selectivity of adsorbed surface species. At grazing angles of incidence the absorption of p-polarized infrared radiation by thin surface films on metals is enhanced, while the absorption of s-polarized light by this film is nearly zero. This different behavior of the polarization properties leads to strong selection rules at the surface and can therefore be used to identify molecules adsorbed on metal surfaces. Polarization Modulation (PM) of the infrared (IR) light takes advantage of this disparity of polarization on sample surfaces and in combination with IRRAS yielding a very sensitive and surface-selective method for obtaining IR spectra of ultra-thin films on metal surfaces. An already existing in situ IRRAS/Quartz Crystal Microbalance weathering cell was combined with PM and evaluated according to its applicability to study in situ atmospheric corrosion processes. First real-time measurements on silver samples exposed to different atmospheres were performed showing the advantage of PM-IRRAS compared to conventional IRRAS for such investigations.

  19. Adsorption of formic acid on rutile TiO{sub 2} (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study

    SciTech Connect

    Mattsson, A.; Österlund, L.; Hu, Shuanglin Hermansson, K.

    2014-01-21

    Formic acid (HCOOH) adsorption on rutile TiO{sub 2} (110) has been studied by s- and p-polarized infrared reflection-absorption spectroscopy (IRRAS) and spin-polarized density functional theory together with Hubbard U contributions (DFT+U) calculations. To compare with IRRAS spectra, the results from the DFT+U calculations were used to simulate IR spectra by employing a three-layer model, where the adsorbate layer was modelled using Lorentz oscillators with calculated dielectric constants. To account for the experimental observations, four possible formate adsorption geometries were calculated, describing both the perfect (110) surface, and surfaces with defects; either O vacancies or hydroxyls. The majority species seen in IRRAS was confirmed to be the bridging bidentate formate species with associated symmetric and asymmetric frequencies of the ν(OCO) modes measured to be at 1359 cm{sup −1} and 1534 cm{sup −1}, respectively. The in-plane δ(C–H) wagging mode of this species couples to both the tangential and the normal component of the incident p-polarized light, which results in absorption and emission bands at 1374 cm{sup −1} and 1388 cm{sup −1}. IRRAS spectra measured on surfaces prepared to be either reduced, stoichiometric, or to contain surplus O adatoms, were found to be very similar. By comparisons with computed spectra, it is proposed that in our experiments, formate binds as a minority species to an in-plane Ti{sub 5c} atom and a hydroxyl, rather than to O vacancy sites, the latter to a large extent being healed even at our UHV conditions. Excellent agreement between calculated and experimental IRRAS spectra is obtained. The results emphasize the importance of protonation and reactive surface hydroxyls – even under UHV conditions – as reactive sites in e.g., catalytic applications.

  20. Adsorption of acrolein, propanal, and allyl alcohol on Pd(111): a combined infrared reflection-absorption spectroscopy and temperature programmed desorption study.

    PubMed

    Dostert, Karl-Heinz; O'Brien, Casey P; Mirabella, Francesca; Ivars-Barceló, Francisco; Schauermann, Swetlana

    2016-05-18

    Atomistic-level understanding of the interaction of α,β-unsaturated aldehydes and their derivatives with late transition metals is of fundamental importance for the rational design of new catalytic materials with the desired selectivity towards C[double bond, length as m-dash]C vs. C[double bond, length as m-dash]O bond partial hydrogenation. In this study, we investigate the interaction of acrolein, and its partial hydrogenation products propanal and allyl alcohol, with Pd(111) as a prototypical system. A combination of infrared reflection-absorption spectroscopy (IRAS) and temperature programmed desorption (TPD) experiments was applied under well-defined ultrahigh vacuum (UHV) conditions to obtain detailed information on the adsorption geometries of acrolein, propanal, and allyl alcohol as a function of coverage. We compare the IR spectra obtained for multilayer coverages, reflecting the molecular structure of unperturbed molecules, with the spectra acquired for sub-monolayer coverages, at which the chemical bonds of the molecules are strongly distorted. Coverage-dependent IR spectra of acrolein on Pd(111) point to the strong changes in the adsorption geometry with increasing acrolein coverage. Acrolein adsorbs with the C[double bond, length as m-dash]C and C[double bond, length as m-dash]O bonds lying parallel to the surface in the low coverage regime and changes its geometry to a more upright orientation with increasing coverage. TPD studies indicate decomposition of the species adsorbed in the sub-monolayer regime upon heating. Similar strong coverage dependence of the IR spectra were found for propanal and allyl alcohol. For all investigated molecules a detailed assignment of vibrational bands is reported. PMID:27149902

  1. Adsorption of isophorone and trimethyl-cyclohexanone on Pd(111): A combination of infrared reflection absorption spectroscopy and density functional theory studies

    NASA Astrophysics Data System (ADS)

    Dostert, Karl-Heinz; O'Brien, Casey P.; Liu, Wei; Riedel, Wiebke; Savara, Aditya; Tkatchenko, Alexandre; Schauermann, Swetlana; Freund, Hans-Joachim

    2016-08-01

    Understanding the interaction of α,β-unsaturated carbonyl compounds with late transition metals is a key prerequisite for rational design of new catalysts with desired selectivity towards C = C or C = O bond hydrogenation. The interaction of the α,β-unsaturated ketone isophorone and the saturated ketone TMCH (3,3,5-trimethylcyclohexanone) with Pd(111) was investigated in this study as a prototypical system. Infrared reflection-absorption spectroscopy (IRAS) and density functional theory calculations including van der Waals interactions (DFT + vdWsurf) were combined to form detailed assignments of IR vibrational modes in the range from 3000 cm- 1 to 1000 cm- 1 in order to obtain information on the binding of isophorone and TMCH to Pd(111) as well as to study the effect of co-adsorbed hydrogen. IRAS measurements were performed with deuterium-labeled (d5-) isophorone, in addition to unlabeled isophorone and unlabeled TMCH. Experimentally observed IR absorption features and calculated vibrational frequencies indicate that isophorone and TMCH molecules in multilayers have a mostly unperturbed structure with random orientation. At sub-monolayer coverages, strong perturbation and preferred orientations of the adsorbates were found. At low coverage, isophorone interacts strongly with Pd(111) and adsorbs in a flat-lying geometry with the C = C and C = O bonds parallel, and a CH3 group perpendicular, to the surface. At intermediate sub-monolayer coverage, the C = C bond is strongly tilted, while the C = O bond remains flat-lying, which indicates a prominent perturbation of the conjugated π system. Pre-adsorbed hydrogen leads to significant changes in the adsorption geometry of isophorone, which suggests a weakening of its binding to Pd(111). At low coverage, the structure of the CH3 groups seems to be mostly unperturbed on the hydrogen pre-covered surface. With increasing coverage, a conservation of the in-plane geometry of the conjugated π system was observed in the

  2. Comparison of molecular orientation and phase transition behaviors in the two kinds of ordered ultrathin films of reversed duckweed polymer ES-3 studied by infrared grazing reflection-absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Wang, Qiang; Xu, Weiqing; Zhao, Bing

    2003-03-01

    A multilayer LB film and a casting film of reversed duckweed polymer ES-3 on Au-evaporated glass slides were investigated by Fourier Transform infrared grazing reflection-absorption spectroscopy. It is found that the two kinds of ordered ultrathin films have different orientation of alkyl chains, nearly perpendicular to the substrate surface for the LB film while rather tilted for the casting film. The studies on their thermal transition behaviors indicate that both of the films have three phase transition processes, respectively, occurring near 65, 105 and 140 °C for the former while near 80, 105 and 140 °C for the latter, but show different transition behavior in the each corresponding transition process. It is referred that at room temperature there are island-like domain structures formed in the LB film, but no ones in the casting film; however, the latter can form the domain structures between the first two transition points due to the desorption of solvents. The formation of domain structure seems to play two important roles, one of which is to make alkyl chains more perpendicular to the substrate surface, and the other to make alkyl chains more packed closely. Thermal cyclic experiments reveal that neither of the films could return to its original state after thermal cyclic treatment up to the temperature, which is above the third transition point, although its alkyl chain becomes highly ordered again.

  3. Evaluation of photostability of solid-state dimethyl 1,4-dihydro-2, 6-dimethyl-4-(2-nitro-phenyl)-3,5-pyridinedicarboxylate by using Fourier-transformed reflection-absorption infrared spectroscopy.

    PubMed

    Teraoka, R; Otsuka, M; Matsuda, Y

    1999-07-01

    Effect of particle size on the photostability of dimethyl 1, 4-dihydro-2,6-dimethyl-4-(2-nitro-phenyl)-3,5-pyridinedicarboxylate (nifedipine) powder and its tablet was investigated using high-pressure liquid chromatography (HPLC) method and Fourier-transformed infrared reflection-absorption spectroscopy (FT-IR-RAS) under the non-destructive condition. The nifedipine content on the surface of the tablet was determined based on the absorbance at 1682 cm(-1) attributable to the C=O stretch vibration in FT-IR-RAS spectra before and after irradiation by fluorescent lamp. The photodegradation followed apparently the first-order kinetics for any sample. The apparent photodegradation rate constant of nifedipine powder increased with decrease of the particle size, while that of its tablet was approximately constant irrespective of particle size. Semilogarithmic plots of the apparent degradation rate constant for nifedipine tablet against the reciprocal of illuminance demonstrated a linear relationship similar to that of the Arrhenius-type behavior. PMID:10425349

  4. A conformation and orientation model of the carboxylic group of fatty acids dependent on chain length in a Langmuir monolayer film studied by polarization-modulation infrared reflection absorption spectroscopy.

    PubMed

    Muro, Maiko; Itoh, Yuki; Hasegawa, Takeshi

    2010-09-01

    The conformation of the carboxylic group of fatty acids in a Langmuir (L) monolayer film on water is described in relation to the aggregation property of the hydrocarbon chain. Polarization-modulation infrared reflection absorption spectra (PM-IRRAS) of L films of heptadecanoic acid (C(17)), octadecanoic acid (C(18)), and nonadecanoic acid (C(19)) exhibit systematic spectral changes in both the C-H and C=O stretching vibration regions. Through a stabilization analysis of the L films at a high surface pressure, the C(19) L film has been found outstandingly stable exhibiting no film shrink, while the other two compounds exhibit a large shrink at high surface pressure. By taking into account the uniquely high aggregation property of the hydrocarbon chains of C(19), the three major bands arising from the C=O stretching vibration mode propose three types of molecular conformations about the carboxylic group, which are elucidated by a balance of the hydration of the carboxylic group, the chain length of the hydrocarbon chain, and the surface pressure. PMID:20718412

  5. UV-Vis Reflection-Absorption Spectroscopy at air-liquid interfaces.

    PubMed

    Rubia-Payá, Carlos; de Miguel, Gustavo; Martín-Romero, María T; Giner-Casares, Juan J; Camacho, Luis

    2015-11-01

    UV-Visible Reflection-Absorption Spectroscopy (UVRAS) technique is reviewed with a general perspective on fundamental and applications. UVRAS is formally identical to IR Reflection-Absorption Spectroscopy (IRRAS), and therefore, the methodology developed for this IR technique can be applied in the UV-visible region. UVRAS can be applied to air-solid, air-liquid or liquid-liquid interfaces. This review focuses on the use of UVRAS for studying Langmuir monolayers. We introduce the theoretical framework for a successful understanding of the UVRAS data, and we illustrate the usage of this data treatment to a previous study from our group comprising an amphiphilic porphyrin. For ultrathin films with a thickness of few nm, UVRAS produces positive or negative bands when p-polarized radiation is used, depending on the incidence angle and the orientation of dipole absorption. UVRAS technique provides highly valuable information on tilt of chromophores at the air-liquid interface, and moreover allows the determination of optical parameters. We propose UVRAS as a powerful technique to investigate the in situ optical properties of Langmuir monolayers. PMID:26385430

  6. Substrate and chain length dependencies of the thermal behavior of [CF3(CF2)m(CH2)nCOO]2Cd single monolayers investigated by infrared reflection absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Ren, Yanzhi; Asanuma, Morito; Iimura, Ken-ichi; Kato, Teiji

    2001-01-01

    Temperature-variable grazing incidence reflection absorption (GIR) spectra were recorded for the single monolayer of [CF3(CF2)m(CH2)nCOO)]2Cd [(m,n)=(7,10), (7,16), (7,22), (5,22), and (3,22)], transferred from aqueous Cd2+ subphase to gold- and aluminum-evaporated glass substrates. The spectra reveal that these monolayers have better thermal stability on Al substrates than on Au. An "interaction band" is identified at 1484˜1480 cm-1, due to the νs(COO-) mode of carboxylate headgroups in ionic bonding with the Al surface. It is found that both the van der Waals interaction between the trans zig-zag hydrocarbon chains and the overlapping interaction between the fluorocarbon helixes are responsible for the systematic variation of the monolayer thermal behavior with (m,n). The thermal behavior of a single monolayer of cadmium stearate, serving as a model system, has been investigated to further confirm the spectral interpretation about the partially fluorinated monolayer. In addition, temperature-dependent friction measurements show that the single monolayers of (m,n)=(7,16), (7,22), (5,22), and (3,22) are potential molecular lubricants that can be used in the range of 25˜140 °C.

  7. Reflection-absorption infrared spectroscopic study on a CuO X/SiO 2 model catalyst prepared by spin-coating on a SiO 2/W/Si(100) buried metal substrate

    NASA Astrophysics Data System (ADS)

    Fukui, Ken-ichi; Oshima, Itaru; Oosterbeek, Heiko; Iwasawa, Yasuhiro

    1999-01-01

    CuO X particles were deposited by spin-coating on a SiO 2(50 nm)/W(70 nm)/Si(100) buried metal substrate using 2-propanol solution of a Cu precursor followed by oxidation. The CuO X/SiO 2/W/Si model catalyst was used to detect vibrational modes of submonolayer adsorbates by reflection-absorption infrared spectroscopy (RAIRS). During methanol reaction on CuO X/SiO 2/W/Si, RAIR spectra showed that methoxy species was formed on CuO X particles and spilt over to the SiO 2 substrate, replacing hydroxyl species.

  8. Investigating Langmuir films at the air-water interface using a planar array infrared reflection-absorption spectrograph

    NASA Astrophysics Data System (ADS)

    Kim, Young Shin

    In this work, a new planar array infrared reflection-absorption spectrograph (PA-IRRAS) was developed to investigate a broad range of Langmuir films at the air-water interface. This instrument is capable of recording sample and reference spectra simultaneously with an optical setup that is the same as that of a single-beam instrument but splits the incident infrared beam into two sections on a plane mirror (H) or a water trough. With this design, the instrument could accommodate large infrared accessories, such as a water trough. In addition, water bands were subtracted to obtain a high quality spectrum for a poly(lactic acid) (PLA) Langmuir film on the water subphase with a resolution of about 8 cm-1 in 10.8 sec. With this instrument, two types of monolayer systems were studied; polymeric and lipid Langmuir films at the air-water interface. For the polymeric monolayer system, PA-IRRAS was used as a probe to follow the real-time conformational changes associated with intermolecular interactions of the polymer chains during the compression of the monolayers. It was found that the mixture of poly(D-lactic acid) (PDLA) and poly(L-lactic acid) (PLLA) (D/L) formed a stereocomplex when the mixed solution developed the two-dimensional monolayer at the air-water interface. The stereocomplexation occurred before film compression, indicating that there is no direct correlation between film compression and stereocomplexation. For the lipid monolayer system, PA-IRRAS was also used as a probe to investigate the origin of the disruption of a lipid monolayer upon protein adsorption at the air-water interface. Analysis of the time-resolved PA-IRRAS spectra revealed that Cu(II) ion-chelated DSIDA lipid monolayer (Cu 2+-DSIDA) was readily disrupted by myoglobin adsorption as demonstrated by a blue shift of 1.7 cm-1 and a lower intensity in the vas(CH2) stretch mode of the lipid monolayer over a period of five hours. To find the origin of the disruption of the lipid monolayer, a

  9. Analysis of monolayer formation of α-mycolic acid derived from Mycobacterium bovis BCG pasteur strain by infrared reflection-absorption spectrometry with two-dimensional correlation analysis

    NASA Astrophysics Data System (ADS)

    Hasegawa, T.; Nishijo, J.; Umemura, J.; Watanabe, M.

    2000-03-01

    Monolayer formation mechanism of α-mycolic acid (α-MA) isolated from Mycobacterium bovis BCG Pasteur strain was investigated by infrared reflection-absorption (IRRA) spectrometry with two-dimensional (2D) correlation analysis. The raw IRRA spectra did not characterize the precise feature of the MA monolayer. 2D correlation analysis, however, clearly revealed that the longer or the major chain of the MA stood up earlier than the shorter chain or the α-alkyl group when the monolayer was compressed, and that the upright chains were in the form of ordered conformation.

  10. Infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Lopez, B. A.

    1984-11-01

    Infrared spectroscopic analysis is reviewed. Applications to chemical analysis of preimpregnated carbon fiber materials, including polystyrene spectra, epoxy resin analysis, mineral loads analysis, determination of epoxy groups and identification of spurious organic materials are discussed. The advantages of the method for quality control are pointed out.

  11. Elucidation of Intermediates and Mechanisms in Heterogeneous Catalysis Using Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Savara, Aditya; Weitz, Eric

    2014-04-01

    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.

  12. 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. PMID:24689797

  13. Near Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Jha, Shyam N.

    The discovery of near-infrared energy is ascribed to Herschel in the nineteenth century; the first industrial application however began in the 1950s. Initially near infrared spectroscopy (NIRS) was used only as an add-on unit to other optical devices, that used other wavelengths such as ultraviolet (UV), visible (Vis), or mid-infrared (MIR) spectrometers. In the 1980s, a single unit, stand-alone NIRS system was made available, but the application of NIRS was focused more on chemical analysis. With the introduction of light-fibre optics in the mid 1980s and the monochromator-detector developments in early 1990s, NIRS became a more powerful tool for scientific research. This optical method can be used in a number of fields of science including physics, physiology, medicine and food.

  14. 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…

  15. Transient infrared emission spectroscopy

    SciTech Connect

    Jones, R.W.; McClelland, J.F.

    1989-04-01

    Transient infrared emission spectroscopy (TIRES) is a new method that produces analytically useful emission spectra from optically thick, solid samples by greatly reducing self-absorption of emitted radiation. The method reduces self-absorption by creating a thin, short-lived, heated layer at the sample surface and collecting the transient emission from this layer. The technique requires no sample preparation and may be applied to both moving and stationary samples. The single-ended, noncontact TIRES measurement geometry is ideal for on-line and other remote-sensing applications. TIRES spectra acquired via a Fourier transform infrared spectrometer on moving samples of coal, plastic, and paint are presented and compared to photoacoustic absorption spectra of these materials. The TIRES and photoacoustic results are in close agreement as predicted by Kirchhoff's law.

  16. Band gap formation in La0.7Sr0.3MnO3 (LSMO) thin films measured by reflectivity/absorption and ultrafast spectroscopy

    NASA Astrophysics Data System (ADS)

    Cabrera, Guerau; Trappen, Robbyn; Chu, Ying-Hao; Holcomb, Mikel

    Thin film La0.7Sr0.3MnO3 (LSMO) is a prime candidate for highly spin-polarized magnetic-tunnel-junction memories. Due to its magnetic properties, it is also a good candidate for applications utilizing electrical control of magnetism when grown adjacent to a ferroelectric layer such as Pb(Zr/Ti)O3 (PZT). Recently, Wu and others have seen the emergence of a band gap (about 1eV) in LSMO thin films, when grown adjacent to PZT. Currently, it is understood that LSMO is a half-metal, with a pseudo-gap due to a low desity of states (DOS) near the Fermi level. The transition from pseudo-gap to band gap is not yet fully understood. It is therefore our aim to investigate the formation of this band gap through optical reflectivity/absorption and ultrafast carrier dynamics for a variety of thicknesses ranging from a few nanometers to thicker films (about 100 nm).

  17. 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.

  18. Polarimetry and infrared spectroscopy in the detection of low-volatility chemical threats

    NASA Astrophysics Data System (ADS)

    Petryk, Michael W. P.; Marenco, Armando J.

    2011-05-01

    The polarization modulation infrared reflection absorption spectroscopy (PMIRRAS) spectra of the nerve agents GB (O-isopropyl methylphosphonofluoridate) and GF (cyclohexyl methylphoshonofluoridate) were recorded for the first time. A comparison of these spectra with the nerve agent VX (ethyl S-2-diisopropylaminoethyl methylphosphonothiolate) and the spectra of some trialkyl phosphates indicates that it is easy to distinguish between chemical warfare agents and simulants on militarily-relevant surfaces using PMIRRAS.

  19. 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.

  20. 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.

  1. 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)

  2. 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)

  3. Ultrafast infrared spectroscopy in photosynthesis.

    PubMed

    Di Donato, Mariangela; Groot, Marie Louise

    2015-01-01

    In recent years visible pump/mid-infrared (IR) probe spectroscopy has established itself as a key technology to unravel structure-function relationships underlying the photo-dynamics of complex molecular systems. In this contribution we review the most important applications of mid-infrared absorption difference spectroscopy with sub-picosecond time-resolution to photosynthetic complexes. Considering several examples, such as energy transfer in photosynthetic antennas and electron transfer in reaction centers and even more intact structures, we show that the acquisition of ultrafast time resolved mid-IR spectra has led to new insights into the photo-dynamics of the considered systems and allows establishing a direct link between dynamics and structure, further strengthened by the possibility of investigating the protein response signal to the energy or electron transfer processes. This article is part of a Special Issue entitled: Vibrational spectroscopies and bioenergetic systems. PMID:24973600

  4. INSTRUMENTATION FOR FAR INFRARED SPECTROSCOPY.

    SciTech Connect

    GRIFFITHS, P.R.; HOMES, C.

    2001-05-04

    Fourier transform spectrometers developed in three distinct spectral regions in the early 1960s. Pierre Connes and his coworkers in France developed remarkably sophisticated step-scan interferometers that permitted near-infrared spectra to be measured with a resolution of better than 0.0 1 cm{sup {minus}1}. These instruments may be considered the forerunners of the step-scan interferometers made by Bruker, Bio-Rad (Cambridge, MA, USA) and Nicolet although their principal application was in the field of astronomy. Low-resolution rapid-scanning interferometers were developed by Larry Mertz and his colleagues at Block Engineering (Cambridge, MA, USA) for remote sensing. Nonetheless, the FT-IR spectrometers that are so prevalent in chemical laboratories today are direct descendants of these instruments. The interferometers that were developed for far-infrared spectrometry in Gebbie's laboratory ,have had no commercial counterparts for at least 15 years. However, it could be argued that these instruments did as much to demonstrate the power of Fourier transform spectroscopy to the chemical community as any of the instruments developed for mid- and near-infrared spectrometry. Their performance was every bit as good as today's rapid-scanning interferometers. However, the market for these instruments is so small today that it has proved more lucrative to modify rapid-scanning interferometers that were originally designed for mid-infrared spectrometry than to compete with these instruments with slow continuous scan or step-scan interferometers.

  5. Fourier transform infrared (FTIR) spectroscopy.

    PubMed

    Berthomieu, Catherine; Hienerwadel, Rainer

    2009-01-01

    Fourier transform infrared (FTIR) spectroscopy probes the vibrational properties of amino acids and cofactors, which are sensitive to minute structural changes. The lack of specificity of this technique, on the one hand, permits us to probe directly the vibrational properties of almost all the cofactors, amino acid side chains, and of water molecules. On the other hand, we can use reaction-induced FTIR difference spectroscopy to select vibrations corresponding to single chemical groups involved in a specific reaction. Various strategies are used to identify the IR signatures of each residue of interest in the resulting reaction-induced FTIR difference spectra. (Specific) Isotope labeling, site-directed mutagenesis, hydrogen/deuterium exchange are often used to identify the chemical groups. Studies on model compounds and the increasing use of theoretical chemistry for normal modes calculations allow us to interpret the IR frequencies in terms of specific structural characteristics of the chemical group or molecule of interest. This review presents basics of FTIR spectroscopy technique and provides specific important structural and functional information obtained from the analysis of the data from the photosystems, using this method. PMID:19513810

  6. 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.

  7. 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)

  8. Infrared Laser Spectroscopy, 1980-1983

    NASA Astrophysics Data System (ADS)

    McDowell, Robin S.

    1983-11-01

    The text for the Short Course on Infrared Laser Spectroscopy given at the Los Alamos Conference on Optics '83 is R. S. McDowell, "Vibrational Spectroscopy Using Tunable Lasers," in Vibrational Spectra and Structure, J. R. Durig, ed. (Elsevier, Amsterdam, 1981) 10, 1-151, which includes references through 1979. The present paper summarizes progress in this field from 1980 to early 1983.

  9. Identification of residues by infrared spectroscopy

    SciTech Connect

    Barber, T.E.; Ayala, N.L.; Jin, Hong; Drumheller, C.T.

    1997-12-31

    Mid-infrared spectroscopy of surfaces can be a very powerful technique for the qualitative and quantitative analysis of surface residues. The goal of this work was to study the application of diffuse reflectance mid-infrared spectroscopy to the identification of pesticide, herbicide, and explosive residues on surfaces. A field portable diffuse reflectance spectrometer was used to collect the mid-infrared spectra of clean surfaces and contaminated surfaces. These spectra were used as calibration sets to develop automated data analysis to classify or to identify residues on samples. In this presentation, the instrumentation and data process algorithms will be discussed.

  10. Remote sensing by infrared heterodyne spectroscopy

    NASA Technical Reports Server (NTRS)

    Kostiuk, T.; Mumma, M. J.

    1983-01-01

    The use of infrared heterodyne spectrocopy for the study of planetary atmospheres is discussed. Infrared heterodyne spectroscopy provides a convenient and sensitive method for measuring the true intensity profiles of atmospheric spectral lines. Application of radiative transfer theory to measured lineshapes can then permit the study of molecular abundances, temperatures, total pressures, excitation conditions, and dynamics of the regions of line formation. The theory of formation of atmospheric spectral lines and the retrieval of the information contained in these molecular lines is illustrated. Notable successes of such retrievals from infrared heterodyne measurements on Venus, Mars, Jupiter and the Earth are given. A discussion of developments in infrared heterodyne technology is also presented.

  11. 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.

  12. 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.

  13. Strategies for Detecting Organic Liquids on Soils Using Mid-Infrared Reflection Spectroscopy

    SciTech Connect

    Gallagher, Neal B.; Gassman, Paul L.; Blake, Thomas A.

    2008-06-25

    Stand-off monitoring for chemical spills can provide timely information for clean-up efforts and mid-infrared reflection-absorption spectroscopy is one approach being investigated. Anomaly and target detection strategies were examined for detection of four different low-volatility organic liquids on two different soil types. Several preprocessing and signal weighting strategies were studied. Anomaly detection for C-H bands was very good using second derivative preprocessing and provided similar performance to target detection approaches such as generalized least squares (GLS) and partial least squares (PLS) with detections at soil loads of approximately 0.6 to 1.5 mg/cm2. Good performance was also found for detection of P=O, O–H and C=O bands but the optimal strategy varied. The simplicity and generality of anomaly detection is attractive, however target detection provides more capability for classification.

  14. Infrared Absorption Spectroscopy Measurement of SOx using Tunable Infrared Laser

    NASA Astrophysics Data System (ADS)

    Fukuchi, Tetsuo

    The absorption characteristics of sulfur dioxide (SO2) and sulfur trioxide (SO3) in the infrared region were measured using a quantum cascade laser and an absorption cell of length 1 m heated to 150°C. The laser was scanned over the wavelength range 6.9-7.4 μm, which included the absorption bands of SO2 and SO3. Measurement results showed that the absorption bands of SO2 and SO3 partially overlapped, with peaks at 7.28 μm and 7.35 μm for SO2 and 7.14 μm and 7.25 μm for SO3. These results showed the possbility of using infrared laser absorption spectroscopy for measurement of sulfur oxides (SOx) in flue gas. For SO3 measurement, infrared absorption spectroscopy was shown to be more suitable than ultraviolet absorption spectroscopy. The absorption characteristics of open air in the same wavelength region showed that the interference due to water vapor must be efficiently removed to perform SOx measurement in flue gas.

  15. 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.

  16. Aligned silver nanorod arrays as substrates for surface-enhanced infrared absorption spectroscopy.

    PubMed

    Leverette, C L; Jacobs, S A; Shanmukh, S; Chaney, S B; Dluhy, R A; Zhao, Y-P

    2006-08-01

    Preferentially aligned silver nanorod arrays prepared by oblique angle vapor deposition were evaluated as substrates for surface-enhanced infrared absorption (SEIRA) spectroscopy. These nanorod arrays have an irregular surface lattice and are composed of tilted, cylindrically shaped nanorods that have an average length of 868 nm +/- 95 nm and an average diameter of 99 nm +/- 29 nm. The overall enhancement factor for chemisorbed organic films of para-nitrobenzoic acid (PNBA) deposited onto the Ag nanorod arrays analyzed by external reflection SEIRA was calculated to be 31 +/- 9 compared to infrared reflection-absorption spectroscopy (IRRAS) obtained from a 500 nm Ag film substrate. This enhancement is attributed to the unique optical properties of the nanorod arrays as well as the increased surface area provided by the nanorod substrate. SEIRA reflection-absorbance intensity was observed with both p- and s-polarized incident radiation with angles of incidence ranging from 25 degrees to 80 degrees . The largest intensity was achieved with p-polarization and incident angles larger than 75 degrees . Polarization-dependent ultraviolet/visible/near-infrared (UV/Vis/NIR) spectra of the nanorod arrays demonstrate that the red-shifted surface plasmon peaks of the elongated nanorods may be partially responsible for the observed SEIRA response. The SEIRA detection limit for the Ag nanorod arrays was estimated to be 0.08 ng/cm(2). Surface-enhanced Raman scattering (SERS) and SEIRA analysis of chemisorbed PNBA utilizing the same nanorod substrate is demonstrated. PMID:16925927

  17. Determination of hexacelsian by infrared spectroscopy.

    PubMed

    Guillem Villar, M C; Monzonís, C G

    1984-07-01

    Hexacelsian has been determined by infrared spectroscopy with KBr discs and K(4)Fe(CN)(6) as internal standard. A KBr particle size of <40 mum gave better homogenization of the sample-KBr mixture than a particle size in the 40-70 mum range. For determinations of hexacelsian in synthetic samples containing amorphous phase or celsian, calibration curves were constructed. A least-squares fit yielded correlation coefficients of 0.998 and 0.997. PMID:18963645

  18. Mid infrared emission spectroscopy of carbon plasma.

    PubMed

    Nemes, Laszlo; Brown, Ei Ei; S-C Yang, Clayton; 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 4.4-11.6μm, 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. PMID:27428600

  19. [Application of near infrared spectroscopy (NIR) for evaluating cheese quality].

    PubMed

    Zou, Qiang; Fang, Hui; Zhang, Wei; He, Yong

    2011-10-01

    Near infrared spectrocopy, widely used in food industry, is a fast, nondestructive analysis method. Although it has been in the detection of the quality of cheese for many years, related research is few in our country. The principle of near infrared spectroscopy and the characteristics are introduced. Cheese process, shrinkage control, maturation process, shelf life, brand classification and detection of components in the application of near infrared spectroscopy are summarized. There is great potential to apply near infrared spectroscopy in cheese quality analysis. It is an urgent task to promote the application of near infrared spectroscopy and the development of China's cheese industry. PMID:22250544

  20. 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.

  1. 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).

  2. 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.

  3. 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.

  4. 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.

  5. Interferometric near-infrared spectroscopy (Conference Presentation)

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    We introduce and implement interferometric near-infrared spectroscopy (iNIRS), which simultaneously extracts the optical and dynamic properties of turbid media from the analysis of the spectral interference fringe pattern. The spectral interference fringe pattern is measured using a Mach-Zehnder interferometer with a frequency swept narrow bandwidth light source such that the temporal intensity autocorrelations can be determined for all photon path lengths. This approach enables time-of-flight (TOF) resolved measurement of scatterer motion, which is a feature inaccessible in well-established diffuse correlation spectroscopy techniques. We prove this by analyzing intensity correlations of the light transmitted through diffusive fluid phantoms with photon random walks of up to 55 (approximately 110 scattering events) using laser sweep rates on the order of 100kHz. Thus, the results we present here advance diffuse optical methods by enabling simultaneous determination of depth-resolved optical properties and dynamics in highly scattering samples.

  6. Infrared microcalorimetric spectroscopy using quantum cascade lasers

    SciTech Connect

    Morales Rodriguez, Marissa E; Senesac, Larry R; Rajic, Slobodan; Lavrik, Nickolay V; Smith, Barton; Datskos, Panos G

    2013-01-01

    We have investigated an infrared (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 uncooled thermal micromechanical detectors. IR microcalorimetric spectroscopy requires no chemical specific coatings and 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 RDX and a monolayer of 2-mercaptoethanol, over the wavelength region from 6 to 10 m. We found that in this wavelength region both chemicals exhibit a number of photothermal absorption features that are in good agreement with their respective IR spectra.

  7. Disease recognition by infrared and Raman spectroscopy.

    PubMed

    Krafft, Christoph; Steiner, Gerald; Beleites, Claudia; Salzer, Reiner

    2009-02-01

    Infrared (IR) and Raman spectroscopy are emerging biophotonic tools to recognize various diseases. The current review gives an overview of the experimental techniques, data-classification algorithms and applications to assess soft tissues, hard tissues and body fluids. The methodology section presents the principles to combine vibrational spectroscopy with microscopy, lateral information and fiber-optic probes. A crucial step is the classification of spectral data by a variety of algorithms. We discuss unsupervised algorithms such as cluster analysis or principal component analysis and supervised algorithms such as linear discriminant analysis, soft independent modeling of class analogies, artificial neural networks support vector machines, Bayesian classification, partial least-squares regression and ensemble methods. The selected topics include tumors of epithelial tissue, brain tumors, prion diseases, bone diseases, atherosclerosis, kidney stones and gallstones, skin tumors, diabetes and osteoarthritis. PMID:19343682

  8. 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.

  9. Thermal infrared near-field spectroscopy.

    PubMed

    Jones, Andrew C; Raschke, Markus B

    2012-03-14

    Despite the seminal contributions of Kirchhoff and Planck describing far-field thermal emission, fundamentally distinct spectral characteristics of the electromagnetic thermal near-field have been predicted. However, due to their evanescent nature their direct experimental characterization has remained elusive. Combining scattering scanning near-field optical microscopy with Fourier-transform spectroscopy using a heated atomic force microscope tip as both a local thermal source and scattering probe, we spectroscopically characterize the thermal near-field in the mid-infrared. We observe the spectrally distinct and orders of magnitude enhanced resonant spectral near-field energy density associated with vibrational, phonon, and phonon-polariton modes. We describe this behavior and the associated distinct on- and off-resonance nanoscale field localization with model calculations of the near-field electromagnetic local density of states. Our results provide a basis for intrinsic and extrinsic resonant manipulation of optical forces, control of nanoscale radiative heat transfer with optical antennas, and use of this new technique of thermal infrared near-field spectroscopy for broadband chemical nanospectroscopy. PMID:22280474

  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. [Application of infrared spectroscopy technique to discrimination of alcoholic beverages].

    PubMed

    Niu, Xiao-Ying; Ying, Yi-Bin; Yu, Hai-Yan; Xie, Li-Juan; Fu, Xia-Ping

    2008-04-01

    Infrared spectroscopy technique is a rapid for the discrimination of food samples, and is widely used to detect and discriminate various beverages. This paper presents the advantages and disadvantages of techniques that have been used to discriminate alcoholic beverages, and the discriminating procedure with infrared spectroscopy technique. Applications of infrared spectroscopy technique to wine, whiskey, Japanese sake and Chinese rice wine etc. is presented too. Finally, problems in applications are analyzed, and the application of infrared spectroscopy technique to the discrimination of our traditional alcoholic beverages is prospected. PMID:18619303

  12. Spatially Resolved Infrared Spectroscopy of Seyfert Galaxies

    NASA Astrophysics Data System (ADS)

    Knop, Robert Andrew, Jr.

    This thesis presents infrared spectroscopy of the circumnuclear regions of 23 Seyfert galaxies. Observations are spectrally resolved with a resolution of λΔλ~1000 and spatially resolved to ~1'', corresponding to ~102 pc for the objects in the sample. The instrument used for the observations, the Palomar Near-Infrared Spectrometer, is described, and problems peculiar to reduction of data from it are discussed. The lines observed include Paβ, Brγ, (FeII) (λ=1.2567μm), and H2 (λ=2.1213μm). In nine objects, the coronal line (SIX) (λ=1.2524μm) is also detected. Spatially resolved line emission is clearly visible in approximately half of the objects observed. The data for five of the objects showing the best spatially resolved infrared line emission are analyzed in detail. These objects include Seyfert 1.5 galaxy NGC 4151 and Seyfert 2 galaxies Mk 1066, NGC 2110, NGC 4388, and Mk 3. The data for the remaining objects is presented in tabular form, and each object is discussed briefly. The data argue that processes associated with the Seyfert nucleus are responsible for the bulk of the observed (FeII) emission. Kinematic and spatial associations can be drawn between features in the (FeII) line profiles and other processes associated with the active nucleus, such as outflows seen in ionized optical emission and radio lobes. Most of the (FeII) appears to emerge from partially ionized regions excited by nuclear x-rays, with an additional contribution from fast shocks. Some of the H2 emission also appears to be associated with the nuclear activity. However, in some cases the H2 emission is observed to have a different spatial distribution from (FeII) and the H+ emission. The H2 emission is probably thermally excited. No significant differences are found between the infrared line emission of Seyfert and Seyfert 1.x galaxies.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy.

    PubMed

    Iwasa, Takeshi; Takenaka, Masato; Taketsugu, Tetsuya

    2016-03-28

    A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems. The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics. PMID:27036436

  18. 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.

  19. Infrared spectroscopy of anionic hydrated fluorobenzenes

    SciTech Connect

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

    2007-09-21

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

  20. 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.

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

    PubMed

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

    2015-12-14

    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. The use of a thermal emitter as an IR source thus opens s-SNOM for routine chemical FTIR nano-spectroscopy. PMID:26698997

  2. 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…

  3. Infrared Scattering Scanning Near-Field Optical Microscopy Using An External Cavity Quantum Cascade Laser For Nanoscale Chemical Imaging And Spectroscopy of Explosive Residues

    SciTech Connect

    Craig, Ian M.; Phillips, Mark C.; Taubman, Matthew S.; Josberger, Erik E.; Raschke, Markus Bernd

    2013-02-04

    Infrared scattering scanning near-field optical microscopy (s-SNOM) is an apertureless superfocusing technique that uses the antenna properties of a conducting atomic force microscope (AFM) tip to achieve infrared spatial resolution below the diffraction limit. The instrument can be used either in imaging mode, where a fixed wavelength light source is tuned to a molecular resonance and the AFM raster scans an image, or in spectroscopy mode where the AFM is held stationary over a feature of interest and the light frequency is varied to obtain a spectrum. In either case, a strong, stable, coherent infrared source is required. Here we demonstrate the integration of a broadly tunable external cavity quantum cascade laser (ECQCL) into an s-SNOM and use it to obtain infrared spectra of microcrystals of chemicals adsorbed onto gold substrates. Residues of the explosive compound tetryl was deposited onto gold substrates. s-SNOM experiments were performed in the 1260-1400 cm-1 tuning range of the ECQCL, corresponding to the NO2 symmetric stretch vibrational fingerprint region. Vibrational infrared spectra were collected on individual chemical domains with a collection area of *500nm2 and compared to ensemble averaged far-field reflection-absorption infrared spectroscopy (RAIRS) results.

  4. Infrared scattering scanning near-field optical microscopy using an external cavity quantum cascade laser for nanoscale chemical imaging and spectroscopy of explosive residues

    NASA Astrophysics Data System (ADS)

    Craig, Ian M.; Phillips, Mark C.; Taubman, Matthew S.; Josberger, Erik E.; Raschke, Markus B.

    2013-01-01

    Infrared scattering scanning near-field optical microscopy (s-SNOM) is an apertureless superfocusing technique that uses the antenna properties of a conducting atomic force microscope (AFM) tip to achieve infrared spatial resolution below the diffraction limit. The instrument can be used either in imaging mode, where a fixed wavelength light source is tuned to a molecular resonance and the AFM raster scans an image, or in spectroscopy mode where the AFM is held stationary over a feature of interest and the light frequency is varied to obtain a spectrum. In either case, a strong, stable, coherent infrared source is required. Here we demonstrate the integration of a broadly tunable external cavity quantum cascade laser (ECQCL) into an s-SNOM and use it to obtain infrared spectra of microcrystals of chemicals adsorbed onto gold substrates. Residues of the explosive compound tetryl was deposited onto gold substrates. s-SNOM experiments were performed in the 1260-1400cm-1 tuning range of the ECQCL, corresponding to the N02 symmetric stretch vibrational fingerprint region. Vibrational infrared spectra were collected on individual chemical domains with a collection area of ~500 nm2 and compared to ensemble averaged far-field reflection-absorption infrared spectroscopy (RAIRS) results.

  5. 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.

  6. Infrared Spectroscopy in the General Chemistry Lab

    NASA Astrophysics Data System (ADS)

    Hill, Margaret A.

    2001-01-01

    Acquisition of infrared spectrometers for use in general chemistry lab was made possible through the NSF-sponsored Instrumentation and Laboratory Improvement (ILI) program. Three laboratory exercises suitable for first-year students are described in which students learn to interpret infrared spectra for simple structural identification. A polymer identification lab is the first of these with minimal sample preparation. It uses familiar household polymer samples and teaches students how to use infrared spectral data to determine what bond types are present in the polymers. In a second lab, students learn to prepare potassium bromide pellets of fluorene derivatives and identify them by their functional group differences. The final exercise combines IR with several other lab techniques to identify an organic acid from a field of fourteen possibilities.

  7. 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.

  8. 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.

  9. Advances in Mid-Infrared Spectroscopy for Chemical Analysis.

    PubMed

    Haas, Julian; Mizaikoff, Boris

    2016-06-12

    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. PMID:27070183

  10. 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.

  11. 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.

  12. 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. PMID:11539179

  13. Propylene on Pt(111)I. Characterization of surface species by infra-red spectroscopy

    NASA Astrophysics Data System (ADS)

    Zaera, Francisco; Chrysostomou, Demetrius

    2000-06-01

    The adsorption of propylene on Pt(111) single-crystal surfaces was characterized by reflection-absorption infra-red spectroscopy (RAIRS). The uptake of propylene on the surface at 90 K results in the development of at least four adsorption species as a function of coverage. Significant rehybridization of the CC double bond of propylene takes place at low coverages, so the molecule primarily interacts with the metal via two σ metalcarbon bonds. Below half-saturation, the molecule mainly bonds through the central carbon atom, but at higher coverage, the CC bond becomes flat, and the terminal methyl group tilts towards a more vertical orientation. Further dosing of propylene after saturation of the di-σ state leads to the build-up of a flat π-bonded second layer. Ultimately, a layer of condensed propylene could be grown on the surface under the vacuum conditions of the experiment as long as the temperature was kept below 80 K. Annealing of the low-temperature propylene-saturated Pt(111) surface first induces the desorption of the weakly held π species, and later, between 230 and 250 K, to the dehydrogenation and rearrangement of the remaining di-σ species to propylidyne (Pt 3CCH 2CH 3). The details of the conversion of propylene to propylidyne change somewhat with the conditions under which this transformation is carried out, and appear to involve a stable and identifiable intermediate [2-propyl, CH 3CH(Pt)CH 3, and/or propylidene, Pt 2CHCH 2CH 3]. Propylene π-bonding is also possible on propylidyne-saturated Pt(111) surfaces under vacuum.

  14. Enhanced Vibrational Spectroscopies as Tools for Small Molecule Biosensing

    PubMed Central

    Boujday, Souhir; Lamy de la Chapelle, Marc; Srajer, Johannes; Knoll, Wolfgang

    2015-01-01

    In this short summary we summarize some of the latest developments in vibrational spectroscopic tools applied for the sensing of (small) molecules and biomolecules in a label-free mode of operation. We first introduce various concepts for the enhancement of InfraRed spectroscopic techniques, including the principles of Attenuated Total Reflection InfraRed (ATR-IR), (phase-modulated) InfraRed Reflection Absorption Spectroscopy (IRRAS/PM-IRRAS), and Surface Enhanced Infrared Reflection Absorption Spectroscopy (SEIRAS). Particular attention is put on the use of novel nanostructured substrates that allow for the excitation of propagating and localized surface plasmon modes aimed at operating additional enhancement mechanisms. This is then be complemented by the description of the latest development in Surface- and Tip-Enhanced Raman Spectroscopies, again with an emphasis on the detection of small molecules or bioanalytes. PMID:26343666

  15. Enhanced Vibrational Spectroscopies as Tools for Small Molecule Biosensing.

    PubMed

    Boujday, Souhir; de la Chapelle, Marc Lamy; Srajer, Johannes; Knoll, Wolfgang

    2015-01-01

    In this short summary we summarize some of the latest developments in vibrational spectroscopic tools applied for the sensing of (small) molecules and biomolecules in a label-free mode of operation. We first introduce various concepts for the enhancement of InfraRed spectroscopic techniques, including the principles of Attenuated Total Reflection InfraRed (ATR-IR), (phase-modulated) InfraRed Reflection Absorption Spectroscopy (IRRAS/PM-IRRAS), and Surface Enhanced Infrared Reflection Absorption Spectroscopy (SEIRAS). Particular attention is put on the use of novel nanostructured substrates that allow for the excitation of propagating and localized surface plasmon modes aimed at operating additional enhancement mechanisms. This is then be complemented by the description of the latest development in Surface- and Tip-Enhanced Raman Spectroscopies, again with an emphasis on the detection of small molecules or bioanalytes. PMID:26343666

  16. 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.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  18. Detecting Counterfeit Antimalarial Tablets by Near-Infrared Spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

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

    NASA Astrophysics Data System (ADS)

    Mitsuishi, Akiyoshi

    2014-03-01

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

  20. 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…

  1. Forensic applications of microscopical infrared internal reflection spectroscopy

    NASA Astrophysics Data System (ADS)

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

    1994-01-01

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

  2. WW domain folding complexity revealed by infrared spectroscopy.

    PubMed

    Davis, Caitlin M; Dyer, R Brian

    2014-09-01

    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

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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 ...

  4. Homogeneity study of ointment dosage forms by infrared imaging spectroscopy.

    PubMed

    Carneiro, Renato Lajarim; Poppi, Ronei Jesus

    2012-01-25

    Ointment dosage forms are semi-solid preparations intended for local or transdermal delivery of active substances usually for application to the skin and it is important that they present a homogeneous appearance. In this work, a study of the homogeneity of a tacrolimus ointment dosage form was performed using infrared imaging spectroscopy coupled with principal component analysis (PCA) and multivariate curve resolution with alternating least squares (MCR-ALS) to interpret the imaging data. Optical visible microscopy images indicated possible phase separation in the ointment and, based on the results presented by distribution concentration maps from infrared imaging, it was possible to conclude that, in fact, there was phase separation incorporated in the ointment. Thus, infrared imaging spectroscopy associated to PCA and MCR-ALS is demonstrated to be a powerful tool for the development process of ointment dosage forms. PMID:22018891

  5. 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. PMID:24664918

  6. Infrared quantitative spectroscopy and planetary atmospheres

    NASA Astrophysics Data System (ADS)

    Flaud, J.-M.

    2009-04-01

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

  7. Infrared Spectroscopy of Hydrated Nitromethane Anions

    NASA Astrophysics Data System (ADS)

    Marcum, Jesse C.; Weber, J. Mathias

    2009-06-01

    The hydration of molecular anions is still not as thoroughly explored as for atomic anions. We present IR spectra and quantum chemical calculations of hydrated nitromethane anions. In the monohydrate, the nitro group of the ion interacts with the water molecule via two hydrogen bonds, one from each O atom. This motif is partially conserved in the dihydrate. Adding the third water molecule results in a ring-like structure of the water ligands, each of which forms one H bond to one of the O atoms of the nitro group and another to a neighboring water ligand, reminiscent of the hydration motif of the heavier halides. Interestingly, while the methyl group is not directly involved in the interaction with the water ligands, its infrared signature is strongly affected by the changes in the intramolecular charge distribution through hydration.

  8. - Fourier Transform Infrared Spectroscopy of Small - Molecules

    NASA Astrophysics Data System (ADS)

    Li, G.; Bernath, P. F.

    2011-06-01

    A series of small boron-containing molecules were synthesized in the gas phase using a tube furnace. High-resolution spectra of these species were recorded in either emission or absorption in the mid-infrared region using a Bruker IFS-125HR spectrometer. Our observations contain vibration-rotation bands of BO, the V1 and V3 bands of HBO, the V1 and V3 bands of HBS, the V1 band of FBO, and the V1 band of HBF2. The vibrational bands of HOBO, BF2OH and other boron-containing molecules may also be present. Ab initio calculations were performed at the MRCI level to assist in the vibrational assignments. Preliminary assignments of the spectra for these species will be reported.

  9. 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.

  10. 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.

  11. 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

  12. Measuring Titan's mesospheric temperatures by infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Penteado, P.; Griffith, C.; Greathouse, T.; Roe, H.; Yelle, R.

    2005-08-01

    Titan's temperature profile is an indicator of the atmospheric energy transport, by radiation, convection and conduction. From the surface up to ˜250 km altitude, the temperature profile was measured by the Voyager 1 radio occultations and infrared spectra. In the troposphere, heating by the surface and low atmosphere by solar radiation absorption and cooling by emission to space are the dominant processes that establish the temperature profile, which decreases from ˜94 K at the surface, to ˜70 K at 200 km. Between 200 and 350 km, the atmosphere radiative absorption and emission balance, and the temperature is approximately constante. At 250-500 km altitudes, observations of stellar occultations reveal oscillations between 170 and 150 K. Atmospheric models predict the existence of a mesosphere, in the region 350-550 km, with the temperature decreasing from ethane and other hydrocarbons' emissions. In this work we analyze emission lines of methane's ν 4 band (8.1 μ m, 1230 cm-1) with high resolution spectra. The line profiles of different intensities allow us to determine the vertical temperature profile for the region 100-600 km, which was not possible with previously available data. We present the first infrared observation that can measure independently the temperatures for the regions 100-200 km, 200-400 km, and 400-600 km. These measurements show the existence of a mesosphere, with a temperature drop of at least 15 K from 380+50-100 km altitude. Paulo Penteado is sponsored by the NASA Planetary Astronomy Program and the Brazilian Government through CAPES.

  13. Near-infrared spectroscopy in NGC 7538

    NASA Astrophysics Data System (ADS)

    Puga, E.; Marín-Franch, A.; Najarro, F.; Lenorzer, A.; Herrero, A.; Acosta Pulido, J. A.; Chavarría, L. A.; Bik, A.; Figer, D.; Ramírez Alegría, S.

    2010-07-01

    Aims: The characterisation of the stellar population in young high-mass star-forming regions allows fundamental cluster properties like distance and age to be constrained. These are essential when using high-mass clusters as probes for conducting Galactic studies. Methods: NGC 7538 is a star-forming region with an embedded stellar population unearthed only in the near-infrared (NIR). We present the first near-infrared spectro-photometric study of the candidate high-mass stellar content in NGC 7538. We obtained H and K spectra of 21 sources with both the multi-object and long-slit modes of LIRIS at the WHT, and complement these data with subarcsecond JHKs photometry of the region using the imaging mode of the same instrument. Results: We find a wide variety of objects within the studied stellar population of NGC 7538. Our results discriminate between a stellar population associated to the H ii region, but not contained within its extent, and several pockets of more recent star formation. We report the detection of CO bandhead emission toward several sources, as well as other features indicative of a young stellar nature. We infer a spectro-photometric distance of 2.7 ± 0.5 kpc, an age spread in the range 0.5-2.2 Myr and a total mass 1.7 × 103 Msun for the older population. Based on observations made with the WHT operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofísica de Canarias.

  14. 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)

  15. 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.

  16. Metal nanofilms studied with infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Fahsold, Gerhard; Priebe, Andreas; Pucci, Annemarie; Otto, Andreas

    2006-03-01

    Metal films with thickness in the nanometer range are optically transparent. In the IR range their transmittance may show both the Drude-type behaviour of coalesced islands and the tail of the plasmon absorption of single islands. Therefore, IR transmittance spectroscopy is a sensitive tool for in-situ studies of metal-film growth on insulating substrates and of the film conductivity. With IR transmittance spectroscopy the in-plane film conductivity and its correlation to the film-growth process can be determined without electrical contacts. Adsorbate induced changes can be observed well. Their analysis may give insight into the adsorbate-metal bonding. Depending on the film's roughness the IR lines of adsorbate-vibration modes may be strongly modified because of their interaction with electronic excitations of the film. The atomic roughness of cold-condensed metal films produces additional IR activity: strong IR activity of Raman lines of centrosymmetric adsorbate molecules is observed in those cases where the adsorbate has states close to the Fermi level.

  17. 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.

  18. 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.

  19. Infrared spectroscopy of starburst and Seyfert galaxies

    NASA Astrophysics Data System (ADS)

    Moorwood, A. F. M.; Oliva, E.

    1994-03-01

    We present and discuss some recent results ofgroundbased IR spectroscopie studies ofstarburst and Seyfert galaxies through the 1-5 μm atmospheric windows. Of particular interest in this spectral range are H and He recombination lines, stellar CO and other absorption bands which can provide information on the stellar populations; [SiVI, VII, IX], [CaVIII] and [SIX] coronal lines in Seyferts and [FeII] and ro-vibrational H2 lines from circumnuclear gas excited by high energy photons and winds associated with recently formed hot stars, SN/SNR and AGN. Recent progress in the latter case has largely been achieved through the first use of 2D arrays to obtain maps and images of the extended line emission in several relatively nearby galaxies.

  20. 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.

    1979-01-01

    Intensity profiles of infrared spectral lines of stratospheric constituents can be fully resolved with a heterodyne spectrometer of sufficiently high resolution (approximately 5 MHz = 0.000167 kaysers at 10 microns). 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. Some recent heterodyne measurements of CO2 and O3 absorption lines are analytically inverted, and the vertical distributions of the two gases are determined.

  1. The far-infrared spectroscopy of the troposphere (FIRST) project

    NASA Astrophysics Data System (ADS)

    Mlynczak, M. G.; Johnson, D. G.; Bingham, G. E.; Jucks, K. W.; Traub, W. A.; Gordley, L.; Yang, P.

    2005-01-01

    The far-infrared spectroscopy of the troposphere (FIRST) project is under development by NASA through its Instrument Incubator Program (IIP) administered by the Earth Science Technology Office. The objective of the FIRST project is to develop and demonstrate the technology needed to routinely observe from space the far-infrared spectrum between 15 and 100 micrometers in wavelength. This spectral region contains about half of the outgoing longwave radiation from the Earth and its atmosphere and is responsible for about half of the natural greenhouse effect. Radiative cooling of the free troposphere occurs almost exclusively in the far-infrared. The far-infrared emission is modulated almost entirely by water vapor, the main greenhouse gas. Cirrus clouds exhibit significant climate forcing in the far-infrared. Despite this fundamental science, the far-infrared has remained almost unobserved directly, primarily due to technological limitations. The FIRST project is advancing technology in the areas of high throughput interferometers, broad bandpass beamsplitters, and detector focal planes to enable routine measurement of the far-infrared from space. FIRST will conduct a technology demonstration on a high altitude balloon platform in Spring 2005.

  2. Fourier transform infrared spectroscopy in physics laboratory courses

    NASA Astrophysics Data System (ADS)

    Möllmann, K.-P.; Vollmer, M.

    2013-11-01

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

  3. Monitoring the alcoholysis of isocyanates with infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Kössl, F.; Lisaj, M.; Kozich, V.; Heyne, K.; Kühn, O.

    2015-02-01

    The alcoholysis reaction of phenylisocyanate with cyclohexanol (I) and of 2,4-toluene-diisocyanate with chloraldhydrate (II) is studied by infrared absorption spectroscopy in combination with anharmonic frequency calculations using density functional theory. It is shown that the progress of the reaction can be monitored by measuring infrared marker bands in the isocyanate NCO and alcohol OH stretching regions. Analysis of spectra obtained as a function of time for different temperatures yields a second-order kinetics with an Arrhenius activation energy of 6.7 ± 0.2 and 2.8 ± 0.3 kcal/mol for reaction I and II, respectively.

  4. Infrared Photodissociation Spectroscopy of Metal Oxide Carbonyl Cations.

    NASA Astrophysics Data System (ADS)

    Brathwaite, Antonio D.; Duncan, Michael A.

    2013-06-01

    Mass selected metal oxide-carbonyl cations of the form MO_{m}(CO)_{n}^{+} are studied via infrared laser photodissociation spectroscopy, in the 600-2300cm^{1} region. Insight into the structure and bonding of these complexes is obtained from the number of infrared active bands, their relative intensities and their frequency positions. Density functional theory calculations are carried out in support of the experimental data. Insight into the bonding of CO ligands to metal oxides is obtained and the effect of oxidation on the carbonyl stretching frequency is revealed.

  5. 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.

  6. Infrared Spectroscopy of the Eruptive Variable ASASSN-15qi

    NASA Astrophysics Data System (ADS)

    Connelley, M. S.; Reipurth, Bo; Hillenbrand, Lynne A.

    2015-11-01

    We report infrared medium-resolution spectroscopy and near-infrared photometry of the eruptive variable ASASSN-15qi = 2MASS J22560882+5831040. Recently the ASAS-SN transients survey reported that 2MASS J22560882+5831040 between Oct 2 and Oct3, 2015 brightened from V > 17.0 to V=13.6, fading slightly to V=13.9 the following night (http://www.astronomy.ohio-state.edu/~assassin/transients.html, Shappee et al. 2014, ApJ, 788:A48).

  7. Astronomical imaging Fourier spectroscopy at far-infrared wavelengths

    NASA Astrophysics Data System (ADS)

    Naylor, David A.; Gom, Brad G.; van der Wiel, Matthijs H. D.; Makiwa, Gibion

    2013-11-01

    The principles and practice of astronomical imaging Fourier transform spectroscopy (FTS) at far-infrared wavelengths are described. The Mach–Zehnder (MZ) interferometer design has been widely adopted for current and future imaging FTS instruments; we compare this design with two other common interferometer formats. Examples of three instruments based on the MZ design are presented. The techniques for retrieving astrophysical parameters from the measured spectra are discussed using calibration data obtained with the Herschel–SPIRE instrument. The paper concludes with an example of imaging spectroscopy obtained with the SPIRE FTS instrument.

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

    NASA Astrophysics Data System (ADS)

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

    2011-04-01

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

  9. Raman and Infrared Spectroscopy of Pyridine under High Pressure

    SciTech Connect

    Zhuravlev, K.; Traikov, K; Dong, Z; Xie, S; Song, Y; Liu, Z

    2010-01-01

    We report the structural transitions of pyridine as a function of pressure up to 26 GPa using in situ Raman spectroscopy and infrared absorption spectroscopy. By monitoring changes in the Raman shifts in the lattice region as well as the band profiles in both Raman and IR spectra, a liquid-to-solid transition at 1 GPa followed by solid-to-solid transitions at 2, 8, 11, and 16 GPa were observed upon compression. These transitions were found to be reversible upon decompression from 22 GPa. A further chemical transformation was observed when compressed beyond 22 GPa as evidenced by the substantial and irreversible changes in the Raman and infrared spectra, which could be attributed to the destruction of the ring structure. The observed transformations in pyridine were also compared to those for benzene. The similar transition sequence with well-aligned transition pressures suggests that these isoelectronic aromatics may have similar structures and stabilities under high pressure.

  10. Environmental Affects on Surfactin Studied Using Multidimensional Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Nite, Jacob; Krummel, Amber

    2014-03-01

    Surfactin, a cyclic lipopeptide produced by Bacillus subtilis, is a pore forming toxin that has been studied in the literature extensively. It is known to exist in two different conformations, S1 and S2, which are thought to relate to surfactin's pore forming ability. The vibrational characteristics of surfactin have been studied using linear infrared spectroscopy as well as two-dimensional infrared spectroscopy in different environments. The environments probed were specifically chosen to mimic surfactin in an aqueous environment as well as a lipid membrane environment. The vibrational spectra were interpreted using transitional dipole coupling to relate the coupling evident in the data to the structural conformers obtained from NMR data. These measurements have been used to link the structural characteristics of surfactin to different solvent environments to gain insight into surfactin's pore forming ability mechanisms. Colorado State University. Maciel Fellowship.

  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 heterodyne spectroscopy for astronomical purposes. [laser applications

    NASA Technical Reports Server (NTRS)

    Townes, C. H.

    1978-01-01

    Heterodyne infrared astronomy was carried out using CO2 lasers and some solid state tunable lasers. The best available detectors are mercury cadmium telluride photodiodes. Their quantum efficiencies reach values near 0.5 and in an overall system an effective quantum efficiency, taking into account optical losses and amplifier noise, of about 0.25 was demonstrated. Initial uses of 10 micron heterodyne spectroscopy were for the study of planetary molecular spectra.

  13. Infrared spectroscopy and surface chemistry of beta-Ga(2)O(3) nanoribbons.

    PubMed

    Bermudez, V M; Prokes, S M

    2007-12-01

    The structure and surface chemistry of crystalline beta-Ga2O3 nanoribbons (NRs), deposited in a thin layer on various metallic and dielectric substrates (mainly on Au), have been characterized using vibrational spectroscopy. The results have been analyzed with the aid of a previous ab initio theoretical model for the beta-Ga2O3 surface structure. Raman spectra and normal-incidence infrared (IR) transmission data show little if any difference from corresponding results for bulk single crystals. For a layer formed on a metallic substrate, IR reflection-absorption spectroscopy (IRRAS) shows longitudinal-optic (LO) modes that are red-shifted by approximately 37 cm-1 relative to those of a bulk crystal. Evidence is also seen for a bonding interaction at the Ga2O3/Au interface following heating in room air. Polarization-modulated IRRAS has been used to study the adsorption of pyridine under steady-state conditions in ambient pressures as high as approximately 5 Torr. The characteristic nu19b and nu8a modes of adsorbed pyridine exhibit little or no shift from the corresponding gas-phase values. This indicates that the surface is only weakly acidic, consistent with the theoretical prediction that singly unsaturated octahedral Ga sites are the only reactive cation sites on the NR surface. However, evidence for adsorption at defect sites is seen in the form of more strongly shifted modes that saturate in intensity at low pyridine coverage. The effect of H atoms, formed by thermal cracking of H2, has also been studied. No Ga-H or O-H bonds are observed on the pristine NR surface. This suggests that the previously reported presence of such species on Ga2O3 powders heated in H2 is a result of a partial reduction of the oxide surface. The heat of adsorption of atomic H on the pristine beta-Ga2O3(100) surface at 0 K is computed to be -1.79 eV per H at saturation (average of Ga-H and O-H sites), whereas a value of +0.45 eV per H is found for the dissociative adsorption of H2. This

  14. Infrared Spectroscopy of Molecules in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Zhang, Keqing

    Fourier transform infrared spectroscopy is applied to the studies of several very different molecular systems. The spectra of the diatomic molecules BF, AlF, and MgF were recorded and analyzed. Dunham coefficients were obtained. The data of two isotopomers, 11BF and 10BF, were used to determine the mass-reduced Dunham coefficients, along with Born-Oppenheimer breakdown constants. Parameterized potential energy functions of BF and AlF were determined by fitting the available data using the solutions of the radial Schrodinger equation. Two vibrational modes of the short-lived and reactive BrCNO molecule were recorded at high resolution. Rotation-vibration transitions of the fundamental bands of both isotopomers 79BrCNO and 81BrCNO were assigned and analyzed. From the rotational constants, it was found that the Br-C bond length in BrCNO anomalously short when a linear geometry was assumed. This may indicate that BrCNO is quasi-linear, simulating the parent HCNO molecule. The emission spectra of the gaseous polycyclic aromatic hydrocarbon (PAH) molecules naphthalene, anthracene, pyrene, and chrysene were recorded in the far-infrared and mid-infrared regions. The assignments of fundamental modes and some combination modes were made. The vibrational bands that lie in the far-infrared are unique for different PAHs and allow discrimination among the four PAH molecules. The far-infrared PAH spectra, therefore, may prove useful in the assignments of unidentified spectral features from astronomical objects.

  15. Immunoglobulin G measurement in blood plasma using infrared spectroscopy.

    PubMed

    Hou, Siyuan; McClure, J Trenton; Shaw, R Anthony; Riley, Christopher B

    2014-01-01

    A rapid, simple, and inexpensive method to measure the immunoglobulin G (IgG) concentrations in blood samples in human and veterinary medicine is highly desired. Infrared spectroscopy (coupled with chemometric manipulation of spectral data) has the advantages of simple sample preparation, rapid implementation of analysis, and low cost. Here a method that exploits infrared spectroscopy as the basis to measure IgG concentration in animal plasma samples is reported, with radial immunodiffusion (RID) used as the reference test method for partial least squares (PLS) calibration model development. Smoothed non-derivative and the second-order derivative spectra were used to develop calibration models. Various additional spectral preprocessing steps were evaluated to optimize the calibration models, and the possible benefits of using an internal standard (potassium thiocyanate [KSCN]) were investigated. Monte Carlo cross-validation was used to determine the optimal number of PLS factors, and an independent prediction set was used to test the predictive performances of provisional models. The effects of various preprocessing options (spectral smoothing, derivation, normalization, region selection, mean-centering, and standard deviation scaling) on quantification accuracy were investigated. The root mean squared error of prediction (RMSEP) for different combinations of spectra preprocessing steps was 394 ± 36 mg/dL for the non-derivative spectra and 427 ± 101 mg/dL for the second-order derivative spectra. Immunoglobulin G concentrations produced by the optimized PLS model for the non-derivative spectra (RMSEP = 352 mg/dL) were found to be stable with respect to different splits of the samples among the calibration, validation, and prediction sets. The precision of the Fourier transform infrared (FT-IR) method is found to be slightly superior to that of the RID method. The results of this work indicate that infrared spectroscopy is a promising technique for economically and

  16. Infrared spectroscopy: a novel tool to aid classification of DCIS

    NASA Astrophysics Data System (ADS)

    Subramanian, K.; Stone, N.; Kendall, C.; Brown, J. C.; McCarthy, K.; Bristol, J.; Chan, Y. H.

    2006-02-01

    There is no universally accepted grading system for the classification of Ductal Carcinoma in Situ (DCIS) although the diagnosis of DCIS has increased (2-20%) with screening mammography. (1) At present there are more than six different classifications and grading systems. Infrared spectroscopy is a non-invasive, rapid and specific technique used to analyse biological tissue. Spectral analysis of the chemical fingerprint within the duct would reveal spectral differences according to absorption and transmission characteristics of different grades of DCIS. An existing model of histopathological classification which is locally accepted has been tested and evaluated in this study. 19 ducts from different biopsy specimens were marked on H&E stained sections by two breast pathologists, according to the locally accepted classification. A consecutive unstained 20μm section was subjected to infrared analysis (Perkin-Elmer). Principal component analysis was undertaken using Matlab. Pseudocolor maps of the principal component scores delineated morphological features of the ducts. Peaks in the corresponding principal component loads were identified to enable understanding of the biochemical changes associated with different grades of DCIS. A 4-group cross-validated classification model was developed using multivariate statistical analysis with selected spectra from different grades of DCIS. The classification model demonstrated good separation of the different grades of the DCIS with a sensitivity of 80-99% and specificity of 92-98%. Infrared spectroscopy is a highly sensitive and specific technique for the demonstration of biochemical changes within the proliferative duct. It could aid in reclassifying the grades of DCIS in accordance with the biochemical and morphological changes that occur with proliferation. Infrared spectroscopy has potential as an added tool for the pathologist to diagnose in vitro.

  17. Infrared Spectroscopy of Astrophysical Gas, Grains, and Ices with the Stratospheric Observatory for Infrared Astronomy (sofia)

    NASA Astrophysics Data System (ADS)

    Gehrz, R. D.; Becklin, E. E.

    2009-06-01

    The joint U.S. and German Stratospheric Observatory for Infrared Astronomy (SOFIA) will be a premier facility for studying the physics and chemistry of the stellar evolution process for many decades. SOFIA spectroscopic science applications will be discussed, with special emphasis on investigations related to infrared spectroscopy of astrophysical gas, grains, and ices. Examples will be given of spectroscopic studies of the interstellar medium, protostars, obscured sources in molecular cloud cores, circumstellar disks around young stellar objects, remnants of nova and supernova explosions, and winds of evolved stellar systems.

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

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

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

  19. 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

  20. Biochemical applications of surface-enhanced infrared absorption spectroscopy

    PubMed Central

    Heberle, Joachim

    2007-01-01

    An overview is presented on the application of surface-enhanced infrared absorption (SEIRA) spectroscopy to biochemical problems. Use of SEIRA results in high surface sensitivity by enhancing the signal of the adsorbed molecule by approximately two orders of magnitude and has the potential to enable new studies, from fundamental aspects to applied sciences. This report surveys studies of DNA and nucleic acid adsorption to gold surfaces, development of immunoassays, electron transfer between metal electrodes and proteins, and protein–protein interactions. Because signal enhancement in SEIRA uses surface properties of the nano-structured metal, the biomaterial must be tethered to the metal without hampering its functionality. Because many biochemical reactions proceed vectorially, their functionality depends on proper orientation of the biomaterial. Thus, surface-modification techniques are addressed that enable control of the proper orientation of proteins on the metal surface. Figure Surface enhanced infrared absorption spectroscopy (SEIRAS) on the studies of tethered protein monolayer (cytochrome c oxidase and cytochrome c) on gold substrate (left), and its potential induced surface enhanced infrared difference absorption (SEIDA) spectrum PMID:17242890

  1. 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.

  2. 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. PMID:26377936

  3. 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.

  4. Composition of polar stratospheric clouds from infrared spectroscopy

    SciTech Connect

    Tolbert, M.A.; Anthony, S.E.; Disselkamp, R.; Toon, O.B.

    1995-12-31

    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 HNO{sub 3}/H{sub 2}O 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 H{sub 2}SO{sub 4}/HNO{sub 3}/H{sub 2}O aerosols under winter polar stratospheric conditions. We have also used recently measured infrared optical constants for HNO{sub 3}/H{sub 2}O 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 cloud formation.

  5. 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.

  6. Photoacoustic-based detector for infrared laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Scholz, L.; Palzer, S.

    2016-07-01

    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 2v3 band at 6046.95 cm-1 using both detector technologies in parallel. The results may be transferred to other infrared-active transitions without loss of generality.

  7. Near Infrared Spectroscopy and Imaging of Star Cluster Mercer 17

    NASA Astrophysics Data System (ADS)

    Moreau, Julie May; Clemens, D.; Jameson, K.; Pavel, M.; Pinnick, A.

    2010-01-01

    Mercer 17 is a recently discovered and as yet unstudied candidate star cluster located in the inner disk of the Milky Way (Mercer et al. 2005 ApJ 635, 560). Follow up studies are necessary to test the validity of proposed star clusters identified by imaging. The majority of well studied star clusters are outer galaxy clusters because of decreased extinction there. Using infrared enables probing into the inner galaxy to larger distances and to younger environments. Determining the basic properties of these newly discovered star cluster candidates, like Mercer 17, provides new insight into their formation. We obtained medium resolution (R=560-780) H- and K-band spectroscopy for eight of the brightest stars using the Mimir near-infrared instrument on the Perkins 1.83m telescope outside Flagstaff, Arizona. In addition to the spectroscopy observations, deep JHK band photometry was obtained for the cluster. Using these imaging and spectroscopic data, we present classified spectra and derived magnitudes of the stars in Mercer 17. Combining color magnitude diagrams and spectroscopy, we estimate basic cluster properties including age, distance, and total mass. Partially funded by an Undergraduate Research Opportunities Program (UROP) Award as a Clare Boothe Luce Summer Undergraduate Research Fellow and NSF grants AST 06-07500 and AST 09-07790

  8. FIRST - The Far-Infrared Spectroscopy of the Troposphere Project

    NASA Astrophysics Data System (ADS)

    Kratz, D. P.; Mlynczak, M. G.; Johnson, D. G.; Bingham, G. P.; Traub, W. A.; Jucks, K.; Hyde, C. R.; Wellard, S.

    2004-12-01

    FIRST, The Far-Infrared Spectroscopy of the Troposphere project is being developed under NASA's Instrument Incubator Program (IIP). The far-infrared encompasses the relatively unobserved portion of the Earth's emission spectrum between 15 and 100 micrometers in wavelength that controls much of the natural greenhouse effect, water vapor feedback, and cirrus radiative forcing. The objective of FIRST is to develop and demonstrate in a space-like environment the technology necessary to measure the far-infrared portion of the Earth's emission spectrum from an orbiting satellite daily and globally. To achieve this, FIRST is developing a high throughput Fourier Transform Spectrometer and broad bandpass beamsplitters. The FIRST instrument is now built and is undergoing radiometric calibration and characterization in thermal vacuum chambers at the Space Dynamics Laboratory in Logan, Utah. We will present an overview of the science afforded by far-infrared observations, a description of the FIRST instrument, and preliminary results from the FIRST radiometric testing program. The FIRST instrument and associated technologies will be demonstrated in a space-like environment from a high-altitude balloon platform in Spring, 2005, from Ft. Sumner, New Mexico.

  9. 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.

  10. 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

  11. Detection of organic contamination on surfaces by infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Guyt, Jaco M.; Van Eesbeek, Marc; Van Papendrecht, G.

    2002-09-01

    Organic contamination control at ESA is based on the infrared spectroscopy method described in the PSS-01-705. The method is used to verify the organic contamination levels during integration and thermal vacuum tests. The detection limits are in the 10-8 g/cm2 range or below, depending on the equipment and sampling method. Quantification is performed with common space contaminants, with the possibility to include a new calibration standard when a specific contaminant is occurring more often. Sampling is done with witness sensors of 15 cm2 or infrared transparent windows to verify the cleanliness after specific events. When no witness sensor has been used, solvent compatible surfaces can be analyzed by a solvent wash or by wiping the surface using dry or wetted tissues. Calibration curves with detection limits are presented, with an examples of a contamination event found on a retrieved space hardware.

  12. 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.

  13. Operando X-ray absorption and infrared fuel cell spectroscopy

    SciTech Connect

    Lewis, Emily A.; Kendrick, Ian; Jia, Qingying; Grice, Corey; Segre, Carlo U.; Smotkin, Eugene S.

    2011-11-17

    A polymer electrolyte fuel cell enables operando X-ray absorption and infrared spectroscopy of the membrane electrode assembly catalytic layer with flowing fuel and air streams at controlled temperature. Time-dependent X-ray absorption near edge structure spectra of the Pt and Ni edge of Pt based catalysts of an air-breathing cathode show that catalyst restructuring, after a potential step, has time constants from minutes to hours. The infrared Stark tuning plots of CO adsorbed on Pt at 100, 200, 300 and 400 mV vs. hydrogen reference electrode were obtained. The Stark tuning plots of CO adsorbed at 400 mV exhibit a precipitous drop in frequency coincident with the adsorption potential. The turn-down potential decreases relative to the adsorption potential and is approximately constant after 300 mV. These Stark tuning characteristics are attributed to potential dependent adsorption site selection by CO and competitive adsorption processes.

  14. 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. PMID:12027163

  15. Infrared spectroscopy of mass-selected metal carbonyl cations

    NASA Astrophysics Data System (ADS)

    Ricks, A. M.; Reed, Z. E.; Duncan, M. A.

    2011-04-01

    Metal carbonyl cations of the form M(CO)n+ are produced in a molecular beam by laser vaporization in a pulsed nozzle source. These ions, and their corresponding rare gas atom "tagged" analogs, M(CO)n(RG)m+, are studied with mass-selected infrared photodissociation spectroscopy in the carbonyl stretching region and with density functional theory computations. The number of infrared-active bands, their frequency positions, and their relative intensities provide distinctive patterns allowing determination of the geometries and electronic structures of these complexes. Cobalt penta carbonyl and manganese hexacarbonyl cations are compared to isoelectronic iron pentacarbonyl and chromium hexacarbonyl neutrals. Gold and copper provide examples of "non-classical" carbonyls. Seven-coordinate carbonyls are explored for the vanadium group metal cations (V +, Nb + and Ta +), while uranium cations provide an example of an eight-coordinate carbonyl.

  16. Infrared Imaging and Spectroscopy Beyond the Diffraction Limit

    NASA Astrophysics Data System (ADS)

    Centrone, Andrea

    2015-07-01

    Progress in nanotechnology is enabled by and dependent on the availability of measurement methods with spatial resolution commensurate with nanomaterials' length scales. Chemical imaging techniques, such as scattering scanning near-field optical microscopy (s-SNOM) and photothermal-induced resonance (PTIR), have provided scientists with means of extracting rich chemical and structural information with nanoscale resolution. This review presents some basics of infrared spectroscopy and microscopy, followed by detailed descriptions of s-SNOM and PTIR working principles. Nanoscale spectra are compared with far-field macroscale spectra, which are widely used for chemical identification. Selected examples illustrate either technical aspects of the measurements or applications in materials science. Central to this review is the ability to record nanoscale infrared spectra because, although chemical maps enable immediate visualization, the spectra provide information to interpret the images and characterize the sample. The growing breadth of nanomaterials and biological applications suggest rapid growth for this field.

  17. Innovative uses of near-infrared spectroscopy in food processing.

    PubMed

    Bock, J E; Connelly, R K

    2008-09-01

    Near-infrared spectroscopy (NIRS) has experienced widespread use as an analytical tool in the last 3 decades. Researchers today are exploring ways of applying NIRS that expand beyond compositional analyses into process control. Processes such as meat tenderness evaluation, curd cutting, and dough mixing have traditionally been controlled by highly skilled master craftsmen; new NIRS research applications are demonstrating that these complex processes can be monitored and controlled in situ to produce consistent, high quality end products with online NIRS technology. Additionally, researchers also now have the potential ability to develop new nondestructive spectroscopic techniques to probe the underlying molecular evolution of these products during processing. PMID:18803725

  18. Infrared spectroscopy and hydrogen isotope geochemistry of hydrous silicate glasses

    SciTech Connect

    Epstein, S.; Stolper, E.

    1992-01-01

    The focus of this project is the combined appication of infrared spectroscopy and stable isotope geochemistry to the study of hydrogen-bearing species dissolved in silicate melts and glasses. We are conducting laboratory experiments aimed at determining the fractionation of D and H between melt species (OH and H{sub 2}O) and hydrous vapor and the diffusivities of these species in glasses and melts. Knowledge of these parameters is critical to understanding the behavior of hydrogen isotopes during igneous processes and hydrothermal processes. These results also could be valuable in application of glass technology to development of nuclear waste disposal strategies.

  19. Raman and infrared reflection spectroscopy in black phosphorus

    NASA Astrophysics Data System (ADS)

    Sugai, S.; Shirotani, I.

    1985-03-01

    The symmetry and energies of all optically active phonon modes in black phosphorous are determined by polarized Raman scattering and infrared reflection spectroscopy at room temperature. The obtained energies are; 365 and 470 cm -1 for A g modes, 197 for B lg, 442 for B 2g, 223 and 440 for B 3g, 136 (TO) and 138 (LO) for B lu, and 468 (TO) and 470 (LO) for B 2u, respectively. The small TO-LO splitting is related to the charge transfer between phosphorus atoms induced by the atomic displacement.

  20. Far-infrared terahertz time-domain spectroscopy of flames.

    PubMed

    Cheville, R A; Grischkowsky, D

    1995-08-01

    We present what is to our knowledge the first comprehensive far-infrared absorption measurement of flames. These measurements, covering the region of 7-88 wave numbers (0.2-2.65 THz) are only now made possible by the technique of terahertz time-domain spectroscopy. We observe a large number of absorption lines-including those of water, CH, and NH(3)-in a stationary, premixed, propane-air flame. The absorption strength permits the determination of species concentration along the beam path. The f lame temperature is determined by comparison of the relative strengths of the water vapor lines. PMID:19862111

  1. 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.

  2. 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.

  3. Infrared laser-induced breakdown spectroscopy emissions from energetic materials

    NASA Astrophysics Data System (ADS)

    Yang, Clayton S.; Brown, E.; Hommerich, Uwe; Trivedi, Sudhir B.; Samuels, Alan C.; Snyder, A. Peter

    2011-05-01

    Laser-induced breakdown spectroscopy (LIBS) has shown great promise for applications in chemical, biological, and explosives (CBE) sensing and has significant potential for real time standoff detection and analysis. We have studied LIBS emissions in the mid-infrared (MIR) spectral region for potential applications in CBE sensing. Detailed MIR-LIBS studies were performed for several energetic materials for the first time. In this study, the IR signature spectral region between 4 - 12 um was mined for the appearance of MIR-LIBS emissions that are directly indicative of oxygenated breakdown products as well as partially dissociated and recombination molecular species.

  4. Note: Wearable near-infrared spectroscopy imager for haired region

    NASA Astrophysics Data System (ADS)

    Kiguchi, M.; Atsumori, H.; Fukasaku, I.; Kumagai, Y.; Funane, T.; Maki, A.; Kasai, Y.; Ninomiya, A.

    2012-05-01

    A wearable optical topography system was developed that is based on near-infrared spectroscopy (NIRS) for observing brain activity noninvasively including in regions covered by hair. An avalanche photo diode, high voltage dc-dc converter, and preamplifier were placed in an electrically shielded case to be safely mounted on the head. Rubber teeth and a glass rod were prepared to clear away hair and reach the scalp. These devices realized for the first time a wearable NIRS imager for any region of the cortex. The activity in the motor cortex during finger tapping was successfully observed.

  5. Fingerprints of polycyclic aromatic hydrocarbons (PAHs) in infrared absorption spectroscopy.

    PubMed

    Tommasini, Matteo; Lucotti, Andrea; Alfè, Michela; Ciajolo, Anna; Zerbi, Giuseppe

    2016-01-01

    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. PMID:26208268

  6. 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.

  7. The spotted contact binary SS ARIETIS - Spectroscopy and infrared photometry

    NASA Astrophysics Data System (ADS)

    Rainger, P. P.; Bell, S. A.; Hilditch, R. W.

    1992-02-01

    The first infrared photometry for the W-UMa system SS Ari is presented. An analysis based on medium-resolution spectroscopy presented here shows that SS Ari is a W-type system with a mass ratio of 0.33. It seems certain that the asymmetry in the published light curves and those obtained for this study can be explained by the effect of spots on one or possibly both components of the system. The precise location, size and temperature of these spots require the use of Doppler Imaging techniques in conjunction with high-quality multiband photometry.

  8. Fingerprints of polycyclic aromatic hydrocarbons (PAHs) in infrared absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Tommasini, Matteo; Lucotti, Andrea; Alfè, Michela; Ciajolo, Anna; Zerbi, Giuseppe

    2016-01-01

    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.

  9. Unresolved Instrumentation Problems Following Clinical Trials Using Near Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Macnab, Andrew J.; Gagnon, Roy E.; Gagnon, Faith A.

    1998-10-01

    Near infrared spectroscopy (NIRS) clinical trials conducted over a seven year period have identified instrument engineering problems related to fiber optic failure, electromagnetic interference, chromophore algorithms, and computational software. These problems have caused confusion amongst clinicians at the bedside, rejection of large volumes of data, repeated reanalysis of data, and a significant diversion of project resources away from clinical studies and into engineering solutions. This article summarizes previously published studies and presents new data which, together, emphasize the need for improvements in NIRS technology. Instrument designers need to be aware of the need for these improvements if NIRS is to serve clinicians better during research designed to rationally define clinical management protocols.

  10. THESIS: the terrestrial habitable-zone exoplanet spectroscopy infrared spacecraft

    NASA Astrophysics Data System (ADS)

    Swain, Mark R.; Vasisht, Gautam; Henning, Thomas; Tinetti, Giovanna; Beaulieu, Jean-Phillippe

    2010-07-01

    THESIS, the Transiting Habitable-zone Exoplanet Spectroscopy Infrared Spacecraft, is a concept for a medium/Probe class exoplanet mission. Building on the recent Spitzer successes in exoplanet characterization, THESIS would extend these types of measurements to super-Earth-like planets. A strength of the THESIS concept is simplicity, low technical risk, and modest cost. The mission concept has the potential to dramatically advance our understanding of conditions on extrasolar worlds and could serve as a stepping stone to more ambitious future missions. We envision this mission as a joint US-European effort with science objectives that resonate with both the traditional astronomy and planetary science communities.

  11. Transient Two-Dimensional Infrared Spectroscopy in a Vibrational Ladder.

    PubMed

    Kemlin, Vincent; Bonvalet, Adeline; Daniault, Louis; Joffre, Manuel

    2016-09-01

    We report on transient 2D Fourier transform infrared spectroscopy (2DIR) after vibrational ladder climbing induced in the CO-moiety longitudinal stretch of carboxyhemoglobin. The population distribution, spreading up to seven vibrational levels, results in a nonequilibrium 2DIR spectrum evidencing a large number of peaks that can be easily attributed to individual transitions thanks to the anharmonicity of the vibrational potential. We discuss the physical origin of the observed peaks as well as the qualitative behavior of the subsequent dynamics governed by population relaxation in the vibrational ladder. PMID:27508408

  12. 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.

  13. 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.

  14. Infrared and optical spectroscopy study of UHMWPE polymers

    NASA Astrophysics Data System (ADS)

    Wolf, M. S.; Morvan, J. N.; Dordevic, S. V.; Stojilovic, N.

    2009-03-01

    Ultra-High Molecular Weight Polyethylene (UHMWPE) is very often the material of choice for the bearing surfaces of most hip and knee implants primarily due to its low friction combined with good toughness and abrasion resistance. We investigate optical properties of biomedical-grade UHMWPE GUR 1020 powders and sheets using infrared and UV-vis spectroscopy and compare results with those from industrial grade samples. In addition, we use X-ray diffraction spectroscopy to monitor the changes in crystal structure of these polymers as a function of temperature. Finally, we deliberately oxidize and subsequently characterize these materials since the oxidation of UHMWPE bio- implants is believed to be responsible for their failure in vivo.

  15. 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. PMID:26329169

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. Multianalyte serum analysis using mid-infrared spectroscopy.

    PubMed

    Shaw, R A; Kotowich, S; Leroux, M; Mantsch, H H

    1998-09-01

    This study assesses the potential for using mid-infrared (mid-IR) spectroscopy of dried serum films as the basis for the simultaneous quantitation of eight serum analytes: total protein, albumin, triglycerides, cholesterol, glucose, urea, creatinine and uric acid. Infrared transmission spectra were acquired for 300 serum samples, each analysed independently using accepted reference clinical chemical methods. Quantitation methods were based upon the infrared spectra and reference analyses for 200 specimens, and the models validated using the remaining 100 samples. Standard errors in the IR-predicted analyte levels (Sy/x) were 2.8 g/L (total protein), 2.2 g/L (albumin), 0.23 mmol/L (triglycerides), 0.28 mmol/L (cholesterol), 0.41 mmol/L (glucose) and 1.1 mmol/L for urea, with correlation coefficients (IR vs reference analyses) of 0.95 or better. The IR method emerged to be less suited for creatinine (Sy/x = mumol/L) and uric acid (Sy/x = 140 mumol/L) due to the relatively low concentrations typical of these analytes. PMID:9768328

  2. 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

  3. 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).

  4. 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

  5. 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)

  6. 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.

  7. High-Resolution Infrared Spectroscopy with Synchrotron Sources

    SciTech Connect

    McKellar, A.

    2010-01-01

    Most applications of synchrotron radiation lie in the ultraviolet and X-ray region, but it also serves as a valuable continuum source of infrared (IR) light which is much brighter (i.e. more highly directional) than that from normal thermal sources. The synchrotron brightness advantage was originally exploited for high spatial resolution spectroscopy of condensed-phase samples. But it is also valuable for high spectral resolution of gas-phase samples, particularly in the difficult far-IR (terahertz) range (1/{lambda} {approx} 10-1000 cm{sup -1}). Essentially, the synchrotron replaces the usual thermal source in a Fourier transform IR spectrometer, giving a increase of up to two (or even more) orders of magnitude in signal at very high-resolution. Following up on pioneering work in Sweden (MAX-lab) and France (LURE), a number of new facilities have recently been constructed for high-resolution gas-phase IR spectroscopy. In the present paper, this new field is reviewed. The advantages and difficulties associated with synchrotron IR spectroscopy are outlined, current and new facilities are described, and past, present, and future spectroscopic results are summarized.

  8. 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.

  9. Spectral Similarity Assessment Based on a Spectrum Reflectance-Absorption Index and Simplified Curve Patterns for Hyperspectral Remote Sensing.

    PubMed

    Ma, Dan; Liu, Jun; Huang, Junyi; Li, Huali; Liu, Ping; Chen, Huijuan; Qian, Jing

    2016-01-01

    Hyperspectral images possess properties such as rich spectral information, narrow bandwidth, and large numbers of bands. Finding effective methods to retrieve land features from an image by using similarity assessment indices with specific spectral characteristics is an important research question. This paper reports a novel hyperspectral image similarity assessment index based on spectral curve patterns and a reflection-absorption index. First, some spectral reflection-absorption features are extracted to restrict the subsequent curve simplification. Then, the improved Douglas-Peucker algorithm is employed to simplify all spectral curves without setting the thresholds. Finally, the simplified curves with the feature points are matched, and the similarities among the spectral curves are calculated using the matched points. The Airborne Visible Infrared Imaging Spectrometer (AVIRIS) and Reflective Optics System Imaging Spectrometer (ROSIS) hyperspectral image datasets are then selected to test the effect of the proposed index. The practical experiments indicate that the proposed index can achieve higher precision and fewer points than the traditional spectral information divergence and spectral angle match. PMID:26821030

  10. Spectral Similarity Assessment Based on a Spectrum Reflectance-Absorption Index and Simplified Curve Patterns for Hyperspectral Remote Sensing

    PubMed Central

    Ma, Dan; Liu, Jun; Huang, Junyi; Li, Huali; Liu, Ping; Chen, Huijuan; Qian, Jing

    2016-01-01

    Hyperspectral images possess properties such as rich spectral information, narrow bandwidth, and large numbers of bands. Finding effective methods to retrieve land features from an image by using similarity assessment indices with specific spectral characteristics is an important research question. This paper reports a novel hyperspectral image similarity assessment index based on spectral curve patterns and a reflection-absorption index. First, some spectral reflection-absorption features are extracted to restrict the subsequent curve simplification. Then, the improved Douglas-Peucker algorithm is employed to simplify all spectral curves without setting the thresholds. Finally, the simplified curves with the feature points are matched, and the similarities among the spectral curves are calculated using the matched points. The Airborne Visible Infrared Imaging Spectrometer (AVIRIS) and Reflective Optics System Imaging Spectrometer (ROSIS) hyperspectral image datasets are then selected to test the effect of the proposed index. The practical experiments indicate that the proposed index can achieve higher precision and fewer points than the traditional spectral information divergence and spectral angle match. PMID:26821030

  11. Rapid Bacterial Identification Using Fourier Transform Infrared Spectroscopy

    SciTech Connect

    Valentine, Nancy B.; Johnson, Timothy J.; Su, Yin-Fong; Forrester, Joel B.

    2007-02-01

    Recent studies at Pacific Northwest National Laboratory (PNNL) using infrared spectroscopy combined with statistical analysis have shown the ability to identify and discriminate vegetative bacteria, bacterial spores and background interferents from one another. Since the anthrax releases in 2001, rapid identification of unknown powders has become a necessity. Bacterial endospores are formed by some Bacillus species as a result of the vegetative bacteria undergoing environmental stress, e.g. a lack of nutrients. Endospores are formed as a survival mechanism and are extremely resistant to heat, cold, sunlight and some chemicals. They become airborne easily and are thus readily dispersed which was demonstrated in the Hart building. Fourier Transform Infrared (FTIR) spectroscopy is one of several rapid analytical methods used for bacterial endospore identification. The most common means of bacterial identification is culturing, but this is a time-consuming process, taking hours to days. It is difficult to rapidly identify potentially harmful bacterial agents in a highly reproducible way. Various analytical methods, including FTIR, Raman, photoacoustic FTIR and Matrix Assisted Laser Desorption/Ionization (MALDI) have been used to identify vegetative bacteria and bacterial endospores. Each has shown certain areas of promise, but each has shortcomings in terms of sensitivity, measurement time or portability. IR spectroscopy has been successfully used to distinguish between the sporulated and vegetative state. [1,2] It has also shown its utility at distinguishing between the spores of different species. [2-4] There are several Bacillus species that occur commonly in nature, so it is important to be able to distinguish between the many different species versus those that present an imminent health threat. The spectra of the different sporulated species are all quite similar, though there are some subtle yet reproducible spectroscopic differences. Thus, a more robust and

  12. Infrared spectroscopy of nonclassical ions and their complexes

    SciTech Connect

    Boo, D.W.

    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 CH{sub 5}{sup +} and infrared spectroscopic and theoretical works on CH{sub 5}{sup +}. CH{sub 5}{sup +} was predicted to scramble constantly without possessing a stable structure. In Chapter Three, the infrared spectroscopy for the molecular hydrogen solvated carbonium ions CH{sub 5}{sup +}(H{sub 2}){sub n} (n=1-6) in the frequency region of 2700-4200 cm{sup {minus}1} are presented and compared with the results of ab initio molecular dynamics simulation on CH{sub 5}{sup +}(H{sub 2}){sub n} (n=0-3). The results suggested that the scrambling of CH{sub 5}{sup +} slowed down considerably by the stabilization effects of the solvent H{sub 2} molecules, and it was completely frozen out when the first three H{sub 2} molecules were bound to the core CH{sub 5}{sup +}. Chapter Four presents the complete infrared spectra for the solvated carbonium ions, CH{sub 5}{sup +}(A){sub x}(B){sub y} (A,B=H{sub 2}, Ar, N{sub 2}, CH{sub 4};x,y=0-5) in the frequency region of 2500-3200 cm{sup {minus}1}. As the binding affinities of the solvent molecules and the number of the solvent molecules in the clusters increased, the scrambling of CH{sub 5}{sup +} slowed down substantially. The structures of the solvated carbonium ions and the evidence for rapid proton transfer in CH{sub 5}{sup +}(CH{sub 4}) were also presented. Chapter Five presents the vib-rotational spectrum for the H-H stretching mode of the silanium ion SiH{sub 5}{sup +}. The results suggested that SiH{sub 5}{sup +} can be described as a complex of SiH{sub 3}{sup +} and a freely internally rotating H{sub 2}, analogous to, but distinct from CH{sub 5}{sup +}.

  13. Cation Far Infrared Vibrational Spectroscopy of Polycyclic Aromatic Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Kong, W.; Zhang, J.; Han, F.

    2009-06-01

    The far infrared (FIR) region is crucial for spectroscopic investigations because of the existence of skeletal modes of moderately sized molecules. However, our knowledge of FIR modes is significantly lacking, largely due to the limited availability of light sources and detectors in this spectral region. The technique "pulsed field ionization zero kinetic energy electron spectroscopy" (PFI-ZEKE) is ideal for studies of FIR spectroscopy. This is because the low internal energy of the cation associated with the skeletal modes is particularly beneficial for the stability of the corresponding Rydberg states. In this work, we report our effort in studies of FIR spectroscopy of cationic polycyclic aromatic hydrocarbons (PAH). Using laser desorption, we can vaporize the non-volatile PAH for gas phase spectroscopy. To ensure the particle density and therefore the critical ion density in prolonging the lifetime of Rydberg electrons, we have used a "chamber-in-a-chamber" design and significantly shortened the distance between the desorption region and the detection region. From our studies of catacondensed PAHs, we have observed the emergence of the flexible waving modes with the increasing length of the molecular ribbon. Pericondensed PAHs, on the other hand, have shown significant out of plane IR active transitions. The planarity of the molecular frame is therefore a question of debate. The FIR modes are also interesting for another reason: they are also telltales of the precision of modern computational packages. The combination of experimental and theoretical studies will help with the identification of the chemical composition of the interstellar medium. This effort therefore directly serves the missions of the Spitzer Space Observatory and more importantly, the missions of the Herschel Space Observatory.

  14. Review of functional near-infrared spectroscopy in neurorehabilitation.

    PubMed

    Mihara, Masahito; Miyai, Ichiro

    2016-07-01

    We provide a brief overview of the research and clinical applications of near-infrared spectroscopy (NIRS) in the neurorehabilitation field. NIRS has several potential advantages and shortcomings as a neuroimaging tool and is suitable for research application in the rehabilitation field. As one of the main applications of NIRS, we discuss its application as a monitoring tool, including investigating the neural mechanism of functional recovery after brain damage and investigating the neural mechanisms for controlling bipedal locomotion and postural balance in humans. In addition to being a monitoring tool, advances in signal processing techniques allow us to use NIRS as a therapeutic tool in this field. With a brief summary of recent studies investigating the clinical application of NIRS using motor imagery task, we discuss the possible clinical usage of NIRS in brain-computer interface and neurofeedback. PMID:27429995

  15. A rheumatoid arthritis study by Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2012-01-01

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

  16. Discrimination of different Chrysanthemums with Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, Hong-xia; Zhou, Qun; Sun, Su-qin; Bao, Hong-juan

    2008-07-01

    Use Fourier transform infrared spectroscopy (FT-IR) to analyze simultaneously the main chemical constituents in different solvent extracts of seven kinds of Chrysanthemum samples of different regions. The findings indicate that different Chrysanthemum samples have dissimilar fingerprint characters in FT-IR spectra. Such spectral technique can provide substance structural information of the complicated test samples. According to these spectral fingerprint features, we cannot only identify the main components of different extracts, but also distinguish the origins of the Chrysanthemum samples from different regions easily, which is a troublesome work by existing analytical methods. FT-IR, with the characters of speediness, good repeatability and easy operation, can be used as an effective analytical means to study the complicated system, in our research, the tradition Chinese medicines.

  17. Lipid Microdomain Formation: Characterization by Infrared Spectroscopy and Ultrasonic Velocimetry

    PubMed Central

    Schultz, Zachary D.; Levin, Ira W.

    2008-01-01

    We demonstrate the use of vibrational infrared spectroscopy applied to characterize lipid microdomain sizes derived from a model raft-like system consisting of nonhydroxy galactocerebroside, cholesterol, and dipalmitoylphosphatidylcholine components. The resulting spectroscopic correlation field components of the lipid acyl chain CH2 methylene deformation modes, observed when lipid multilamellar assemblies are rapidly frozen from the liquid crystalline state to the gel phase, indicate the existence of lipid microdomains on a scale of several nanometers. The addition of cholesterol disrupts the glycosphingolipid selectively but perturbs the di-saturated chain phospholipid matrix. Complementary acoustic velocimetry measurements indicate that the microdomain formation decreases the total volume adiabatic compressibilities of the multilamellar vesicle assemblies. The addition of cholesterol, however, disrupts the galactocerebroside domains, resulting in a slight increase in the lipid assemblies' total adiabatic compressibility. The combination of these two physical approaches offers new insight into microdomain formation and their properties in model bilayer systems. PMID:18192352

  18. Near-infrared spectroscopy of proto-planetary nebulae

    NASA Technical Reports Server (NTRS)

    Hrivnak, Bruce J.; Kwok, Sun; Geballe, T. R.

    1994-01-01

    Sixteen proto-planetary nebulae were observed with low-resolution infrared spectroscopy in the H and K bands, and four were observed in the L band. In the H band, most of the objects show hydrogen Brackett lines (from n = 10 goes to 4 to n = 20 goes to 4) in absorption. In the K band, absorption bands (delta (nu) = 2) of CO were observed to as high as nu = 6 goes to 4, and in three cases the CO bands are in emission. The CO spectrum of 22272 + 5435 was found to change from emission to absorption over a 3 month interval. The CO emission most likely arises from collisional excitation resulting from recent episodes of mass loss. One new object which possibly shows weak 3.3 micron emission was found.

  19. Cardiac tissue characterization using near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Singh Moon, Rajinder; Hendon, Christine P.

    2014-03-01

    Cardiac tissue from swine and canine hearts were assessed using diffuse reflectance near-infrared spectroscopy (NIRS) ex vivo. Slope measured between 800-880 nm reflectance was found to reveal differences between epicardial fat and normal myocardium tissue. This parameter was observed to increase monotonically from measurements obtained from the onset of radiofrequency ablation (RFA). A sheathe-style fiber optic catheter was then developed to allow real-time sampling of the zone of resistive heating during RFA treatment. A model was developed and used to extract changes in tissue absorption and reduced scattering based on the steady-state diffusion approximation. It was found that key changes in tissue optical properties occur during application of RF energy and can be monitored using NIRS. These results encourage the development of NIRS integrated catheters for real-time guidance of the cardiac ablation treatment.

  20. Infrared spectroscopy of molecules with nanorod arrays: a numerical study.

    PubMed

    Tardieu, Clément; Vincent, Grégory; Haïdar, Riad; Collin, Stéphane

    2016-04-15

    Nanorod arrays with diameters much smaller than the wavelength exhibit sharp resonances with strong electric-field enhancement and angular dependence. They are investigated for enhanced infrared spectroscopy of molecular bonds. The molecule 3-cyanopropyldimethylchlorosilane (CS) is taken as a reference, and its complex permittivity is determined experimentally in the 3-5 μm wavelength range. When grafted on silicon nitride nanorods, we show numerically that its weak absorption bands due to chemical bond vibrations can be enhanced by several orders of magnitude compared with unstructured thin film. We propose a figure of merit (FoM) to assess the performance of this spectroscopic scheme, and we study the impact of the nanorod cross section on the FoM. PMID:27082334

  1. 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.

  2. 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.

  3. Analysis of silage composition by near-infrared reflectance spectroscopy

    NASA Astrophysics Data System (ADS)

    Reeves, James B., III; Blosser, Timothy H.; Colenbrander, V. F.

    1991-02-01

    Two studies were performed to investigate the feasibility of using near infrared reflectance spectroscopy (NIRS) with undried silages. In the first study silages were analyzed for major components (e. g. dry matter crude protein and other forms of nitrogen fiber and in vitro digestible dry matter) and short chain fatty acids (SCFA). NIRS was found to operate satisfactorily except for some forms of nitrogen and SCFA. In study two various methods of grinding spectral regions and sample presentation were examined. Undried Wiley ground samples in a rectangular cell gave the best overall results for non-dry ice undried grinds with wavelengths between 1100 and 2498 nm. Silages scanned after drying however produced the best results. Intact samples did not perform as well as ground samples and wavelengths below 1100 nm were of little use. 2 .

  4. Femtosecond infrared spectroscopy of channelrhodopsin-1 chromophore isomerization

    PubMed Central

    Stensitzki, T.; Yang, Y.; Muders, V.; Schlesinger, R.; Heberle, J.; Heyne, K.

    2016-01-01

    Vibrational dynamics of the retinal all-trans to 13-cis photoisomerization in channelrhodopsin-1 from Chlamydomonas augustae (CaChR1) was investigated by femtosecond visible pump mid-IR probe spectroscopy. After photoexcitation, the transient infrared absorption of C-C stretching modes was detected. The formation of the 13-cis photoproduct marker band at 1193 cm−1 was observed within the time resolution of 0.3 ps. We estimated the photoisomerization yield to (60 ± 6) %. We found additional time constants of (0.55 ± 0.05) ps and (6 ± 1) ps, assigned to cooling, and cooling processes with a back-reaction pathway. An additional bleaching band demonstrates the ground-state heterogeneity of retinal. PMID:27191011

  5. Femtosecond infrared spectroscopy of channelrhodopsin-1 chromophore isomerization.

    PubMed

    Stensitzki, T; Yang, Y; Muders, V; Schlesinger, R; Heberle, J; Heyne, K

    2016-07-01

    Vibrational dynamics of the retinal all-trans to 13-cis photoisomerization in channelrhodopsin-1 from Chlamydomonas augustae (CaChR1) was investigated by femtosecond visible pump mid-IR probe spectroscopy. After photoexcitation, the transient infrared absorption of C-C stretching modes was detected. The formation of the 13-cis photoproduct marker band at 1193 cm(-1) was observed within the time resolution of 0.3 ps. We estimated the photoisomerization yield to (60 ± 6) %. We found additional time constants of (0.55 ± 0.05) ps and (6 ± 1) ps, assigned to cooling, and cooling processes with a back-reaction pathway. An additional bleaching band demonstrates the ground-state heterogeneity of retinal. PMID:27191011

  6. 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. PMID:24915307

  7. Biochemical and physiological basis of medical near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Joebsis-vander Vliet, Frans F.; Joebsis, Paul

    1999-10-01

    Near infrared spectroscopy (NIRS) can monitor both the redox status of Cytochrome c oxidase located in the mitochondria within the cell and the oxygenation of the blood in the tissue being monitored. Since the enzyme catalyzes more than 90% of oxygen utilization, it is the sink for the oxygen while the hemoglobin in the capillaries is the oxygen source. In order to evaluate the oxidative metabolic status of a tissue the optical data obtained from both molecules are commonly interpreted in the basis of test tube experiments with purified preparations. We are concerned that the validity of this practice may not have been tested sufficiently and raise four basic questions that have not yet been answered. Citing some examples of in vitro versus in vivo differences we conclude that more effort should be expended on the in vivo testing of the range of the signals, their natural variability, and the physiological and pathological meaning of their deviations from norm.

  8. Discrimination and Content Analysis of Fritillaria Using Near Infrared Spectroscopy

    PubMed Central

    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. PMID:25789196

  9. Gas emission analysis based on Fourier transformed infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Shu, Xiaowen; Zhang, Xiaofu; Lian, Xu; Jin, Hui

    2014-12-01

    Solar occultation flux (SOF), a new optical technology to detect the gas based on the traditional Fourier transformed infrared spectroscopy (FTIR) developed quickly recently. In this paper, the system and the data analysis is investigated. First a multilayer transmission model of solar radiation is simulated. Then the retrieval process is illustrated. In the proceeding of the data analysis, the Levenberg-Marquardt non-linear square fitting is used to obtain the gas column concentration and the related emission ratio. After the theory certification, the built up system is conducted in a fertilizer plant in Hefei city .The results show SOF is available in the practice and the retrieved gas column concentration can give important information about the pollution emission and dispersion

  10. Infrared Absorption Spectroscopy and Chemical Kinetics of Free Radicals

    SciTech Connect

    Curl, Robert F; Glass, Graham

    2004-11-01

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

  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. Recent advances in fetal near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    D'Antona, Donato; Aldrich, Clive J.; O'Brien, Patrick; Lawrence, Sally; Delpy, David T.; Wyatt, John S.

    1997-01-01

    Fetal brain injury resulting from hypoxia and ischemia during labor remains an important cause of death and long- term disability. However, little is known about fetal brain oxygenation and hemodynamics. There are currently no satisfactory clinical techniques for fetal monitoring and there remains a need for a new method to assess brain oxygenation. Fetal near infrared spectroscopy (NIRS) is a new technique that allows noninvasive observation of changes in the cerebral concentrations of oxyhemoglobin and deoxyhemoglobin to be made during labor. A specially designed optical probe is inserted through the dilated cervix and placed against the fetal head. It is then possible to compare changes in NIRS data with other observations of fetal conditions, such as fetal heart rate and acid-base status.

  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. Infrared spectroscopy and microscopy in cancer research and diagnosis

    PubMed Central

    Bellisola, Giuseppe; Sorio, Claudio

    2012-01-01

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

  16. 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.

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

    NASA Astrophysics Data System (ADS)

    Anderson, David T.; Ruzi, Mahmut

    2013-06-01

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

  18. Remote detection of organics using Fourier transform infrared spectroscopy

    SciTech Connect

    Demirgian, J.C.; Spurgash, S.M.

    1990-01-01

    Fourier transform infrared (FTIR) spectroscopy is an ideal technique for remote detection of organic emissions. There is an atmospheric window in the 1200 to 800 cm{sup {minus}1} region, which corresponds to the fingerprint'' region for organic molecules. Virtually all organic molecules have a unique absorption/emission pattern in the fingerprint region. A remote-passive FTIR relies on ambient emission of infrared energy from organics to obtain spectra. The instrumentation consists of inlet optics, and interferometer, a mercury cadmium telluride (MCT) detector, and an on-board computer. The transportable unit measures 40 cm by 50 cm and has been used to collect data while mounted on a helicopter or ground vehicle. Through the use of this FTIR combined with least squares software, it is possible to analyze qualitatively and quantitatively for organic vapors from either the air or ground. The data presented will include quantitative releases of common organics present in incinerator stacks, hazardous wastes, and illegal laboratories. Data will be presented for pure compounds, mixtures, and target analytes in the presence of interfering compounds. The sensitivity, reproducibility, and the potential of the technique will be discussed. 1 ref., 8 figs., 6 tabs.

  19. Mid-infrared emission from laser-induced breakdown spectroscopy.

    PubMed

    Yang, Clayton S-C; Brown, Ei E; Hommerich, Uwe H; Trivedi, Sudhir B; Samuels, Alan C; Snyder, A Peter

    2007-03-01

    Laser-induced breakdown spectroscopy (LIBS) is a powerful analytical technique for detecting and identifying trace elemental contaminants by monitoring the visible atomic emission from small plasmas. However, mid-infrared (MIR), generally referring to the wavelength range between 2.5 to 25 microm, molecular vibrational and rotational emissions generated by a sample during a LIBS event has not been reported. The LIBS investigations reported in the literature largely involve spectral analysis in the ultraviolet-visible-near-infrared (UV-VIS-NIR) region (less than 1 microm) to probe elemental composition and profiles. Measurements were made to probe the MIR emission from a LIBS event between 3 and 5.75 microm. Oxidation of the sputtered carbon atoms and/or carbon-containing fragments from the sample and atmospheric oxygen produced CO(2) and CO vibrational emission features from 4.2 to 4.8 microm. The LIBS MIR emission has the potential to augment the conventional UV-VIS electronic emission information with that in the MIR region. PMID:17389073

  20. Infrared photodissociation spectroscopy of vanadium oxide-carbonyl cations.

    PubMed

    Brathwaite, A D; Ricks, A M; Duncan, M A

    2013-12-19

    Mass selected vanadium oxide-carbonyl cations of the form VO(m)(CO)(n)(+) (m = 0-3 and n = 3-6) are studied via infrared laser photodissociation spectroscopy in the 600-2300 cm(-1) region. Insight into the structure and bonding of these complexes is obtained from the number of infrared active bands, their relative intensities and their frequency positions. Density functional theory calculations are carried out in support of the experimental data. The effect of oxidation on the carbonyl stretching frequencies of VO(CO)(n)(+), VO2(CO)(n)(+), and VO3(CO)(n)(+) complexes is investigated. All of these oxide-carbonyl species have C-O stretch vibrations blue-shifted from those of the pure vanadium ion carbonyls. The V-O stretches of these complexes are also investigated, revealing the effects of CO coordination on these vibrations. The oxide-carbonyls all have a hexacoordinate core analogous to that of V(CO)6(+). The fully coordinated vanadium monoxide-carbonyl species is VO(CO)5(+), and those of the dioxide and trioxide are VO2(CO)4(+) and VO3(CO)3(+), respectively. PMID:23927497

  1. Aerosol collection and analysis using diffuse reflectance infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Samuels, Alan C.; Wong, Diane M.; Meyer, Gerald J.; Roelant, Geoffrey J.; Williams, Barry R.; Miles, Ronald W., Jr.; Manning, Christopher J.

    2004-08-01

    Infrared spectroscopy is routinely employed for the identification of organic molecules and, more recently, for the classification of biological materials. We have developed a sample collection method that facilitates infrared analysis of airborne particulates using a diffuse reflectance (DR) technique. Efforts are underway to extend the method to include simultaneous analysis of vapor phase organics by using adsorbent substrates compatible with the DR technique. This series of laboratory results provides proof-of-principle for both the sample collection and data collection processes. Signal processing of the DR spectra is shown to provide rapid qualitative identification of representative aerosol materials, including particulate matter commonly found in the environment. We compare the results for such materials as bacterial spores, pollens and molds, clays and dusts, smoke and soot. Background correction analysis is shown to be useful for differentiation and identification of these constituents. Issues relating to complex mixtures of environmental samples under highly variable conditions are considered. Instrumentation development and materials research are now underway with the aim of constructing a compact sampling system for near real-time monitoring of aerosol and organic pollutants. A miniature, tilt-compensated Fourier transform spectrometer will provide spectroscopic interrogation. A series of advanced digital signal processing methods are also under development to enhance the sensor package. The approach will be useful for industrial applications, chemical and biological agent detection, and environmental monitoring for chemical vapors, hazardous air pollutants, and allergens.

  2. Wavelet minimum description length detrending for near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Jang, Kwang Eun; Tak, Sungho; Jung, Jinwook; Jang, Jaeduck; Jeong, Yong; Ye, Jong Chul

    2009-05-01

    Near-infrared spectroscopy (NIRS) can be employed to investigate brain activities associated with regional changes of the oxy- and deoxyhemoglobin concentration by measuring the absorption of near-infrared light through the intact skull. NIRS is regarded as a promising neuroimaging modality thanks to its excellent temporal resolution and flexibility for routine monitoring. Recently, the general linear model (GLM), which is a standard method for functional MRI (fMRI) analysis, has been employed for quantitative analysis of NIRS data. However, the GLM often fails in NIRS when there exists an unknown global trend due to breathing, cardiac, vasomotion, or other experimental errors. We propose a wavelet minimum description length (Wavelet-MDL) detrending algorithm to overcome this problem. Specifically, the wavelet transform is applied to decompose NIRS measurements into global trends, hemodynamic signals, and uncorrelated noise components at distinct scales. The minimum description length (MDL) principle plays an important role in preventing over- or underfitting and facilitates optimal model order selection for the global trend estimate. Experimental results demonstrate that the new detrending algorithm outperforms the conventional approaches.

  3. Infrared Spectroscopy of Star Formation in Galactic and Extragalactic Regions

    NASA Technical Reports Server (NTRS)

    Smith, Howard A.; Hasan, Hashima (Technical Monitor)

    2003-01-01

    In this program we proposed to perform a series of spectroscopic studies, including data analysis and modeling, of star formation regions using an ensemble of archival space-based data from the Infrared Space Observatory's Long Wavelength Spectrometer and Short Wavelength Spectrometer, and to take advantage of other spectroscopic databases including the first results from SIRTF. Our emphasis has been on star formation in external, bright IR galaxies, but other areas of research have included young, low or high mass pre-main sequence stars in star formation regions, and the galactic center. The OH lines in the far infrared were proposed as one key focus of this inquiry, because the Principal Investigator (H. Smith) had a full set of OH IR lines from IS0 observations. It was planned that during the proposed 2-1/2 year timeframe of the proposal other data (including perhaps from SIRTF) would become available, and we intended to be responsive to these and other such spectroscopic data sets. The program has the following goals: 1) Refine the data analysis of IS0 observations to obtain deeper and better SNR results on selected sources. The IS0 data itself underwent pipeline 10 reductions in early 2001, and the more 'hands-on data reduction packages' have been released. The IS0 Fabry-Perot database is particularly sensitive to noise and can have slight calibration errors, and improvements are anticipated. We plan to build on these deep analysis tools and contribute to their development. Model the atomic and molecular line shapes, in particular the OH lines, using revised montecarlo techniques developed by the Submillimeter Wave Astronomy Satellite (SWAS) team at the Center for Astrophysics. 2) 3) Use newly acquired space-based SIRTF or SOFIA spectroscopic data as they become available, and contribute to these observing programs as appropriate. 4) Attend scientific meetings and workshops. 5) E&PO activities, especially as related to infrared astrophysics and

  4. Near Infrared Spectroscopy for Burning Plasma Diagnostic Applications

    SciTech Connect

    Soukhanovskii, V A

    2008-06-18

    Ultraviolet and visible (UV-VIS, 200-750 nm) atomic spectroscopy of neutral and ion fuel species (H, D, T, Li) and impurities (e.g. He, Be, C, W) is a key element of plasma control and diagnosis on ITER and future magnetically confined burning plasma experiments (BPX). Spectroscopic diagnostic implementation and performance issues that arise in the BPX harsh nuclear environment in the UV-VIS range, e.g., degradation of first mirror reflectivity under charge-exchange atom bombardment (erosion) and impurity deposition, permanent and dynamic loss of window and optical fiber transmission under intense neutron and {gamma}-ray fluxes, are either absent or not as severe in the near-infrared (NIR, 750-2000 nm) range. An initial survey of NIR diagnostic applications has been undertaken on the National Spherical Torus Experiment. It is demonstrated that NIR spectroscopy can address machine protection and plasma control diagnostic tasks, as well as plasma performance evaluation and physics studies. Emission intensity estimates demonstrate that NIR measurements are possible in the BPX plasma operating parameter range. Complications in the NIR range due to parasitic background emissions are expected to occur at very high plasma densities, low impurity densities, and at high plasma facing component temperatures.

  5. Detecting and Segregating Black Tip-Damaged Wheat Kernels Using Visible and Near Infrared Spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Detection of individual wheat kernels with black tip symptom (BTS) and black tip damage (BTD) was demonstrated using near infrared reflectance spectroscopy (NIRS) and silicon light-emitting-diode (LED) based instruments. The two instruments tested, a single kernel near-infrared spectroscopy instrume...

  6. APPLICATION OF MATRIX ISOLATION INFRARED SPECTROSCOPY TO ANALYSIS FOR POLYNUCLEAR AROMATIC HYDROCARBONS IN ENVIRONMENTAL SAMPLES

    EPA Science Inventory

    Gas chromatography combined with matrix isolation infrared spectroscopy (GC/MI-IR) enables identification and quantification of components of complex mixtures by infrared spectroscopy at levels of a few nanograms. These levels are several orders of magnitude lower than those achi...

  7. Reliability of Near-Infrared Spectroscopy for Determining Muscle Oxygen Saturation during Exercise

    ERIC Educational Resources Information Center

    Austin, Krista G.; Daigle, Karen A.; Patterson, Patricia; Cowman, Jason; Chelland, Sara; Haymes, Emily M.

    2005-01-01

    Near-infrared spectroscopy is currently used to assess changes in the oxygen saturation of the muscle during exercise. The primary purpose of this study was to assess the reliability of near-infrared spectroscopy in determining muscle oxygen saturation (StO[subscript 2]) in the vastus lateralis during cycling and the gastrocnemius during running…

  8. Near- and Mid-Infrared Reflectance Spectroscopy for the Quantitative and Qualitative Analysis of Agricultural Products

    Technology Transfer Automated Retrieval System (TEKTRAN)

    For several decades near-infrared diffuse reflectance spectroscopy (NIRS) has been used to determine the composition of a variety of agricultural products. More recently, diffuse reflectance Fourier transform mid-infrared spectroscopy (DRIFTS) has similarly been shown to be able to determine the co...

  9. Near- versus Mid-Infrared Spectroscopy for On-Site Analysis of Soil C

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Research has demonstrated that for the determination of soil C, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) is often more accurate and produces more robust calibrations than near-infrared reflectance spectroscopy (NIRS) when analyzing ground, dry soils under laboratory condi...

  10. Mid- Versus Near-Infrared Reflectance Spectroscopy for On-Site Determination of Soil Carbon

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Research has demonstrated that the determination of soil C diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) is often more accurate and produces more robust calibrations than near-infrared (NIR) reflectance spectroscopy (NIRS) when analyzing ground, dry soils. DRIFTS is also not ...

  11. Structure analysis of aromatic medicines containing nitrogen using near-infrared spectroscopy and generalized two-dimensional correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, Hao; Gao, Hongbin; Qu, Lingbo; Huang, Yanping; Xiang, Bingren

    2008-12-01

    Four aromatic medicines (acetaminophen; niacinamide; p-aminophenol; nicotinic acid) containing nitrogen were investigated by FT-NIR (Fourier transform near-infrared) spectroscopy and generalized two-dimensional (2D) correlation spectroscopy. The FT-NIR spectra were measured over a temperature range of 30-130 °C. By combining near-infrared spectroscopy, generalized 2D correlation spectroscopy and references, the molecular structures (especially the hydrogen bond related with nitrogen) were analyzed and the NIR band assignments were performed. The results will be helpful to the understanding of aromatic medicines containing nitrogen and the utility of these substances.

  12. Reaction products in mass spectrometry elucidated with infrared spectroscopy.

    PubMed

    Polfer, Nick C; Oomens, Jos

    2007-08-01

    Determining the structure and dynamics of large biologically relevant molecules is one of the key challenges facing biology. Although X-ray crystallography (XRD) and nuclear magnetic resonance (NMR) yield accurate structural information, they are of limited use when sample quantities are low. Mass spectrometry (MS) on the other hand has been very successful in analyzing biological molecules down to atto-mole quantities and has hence begun to challenge XRD and NMR as the key technology in the life sciences. This trend has been further assisted by the development of MS techniques that yield structural information on biomolecules. Of these techniques, collision-induced dissociation (CID) and hydrogen/deuterium exchange (HDX) are among the most popular. Despite advances in applying these techniques, little direct experimental evidence had been available until recently to verify their proposed underlying reaction mechanisms. The possibility to record infrared spectra of mass-selected molecular ions has opened up a novel avenue in the structural characterization of ions and their reaction products. On account of its high pulse energies and wide wavelength tunability, the free electron laser for infrared experiments (FELIX) at FOM Rijnhuizen has been shown to be ideally suited to study trapped molecular ions with infrared photo-dissociation spectroscopy. In this paper, we review recent experiments in our laboratory on the infrared spectroscopic characterization of reaction products from CID and HDX, thereby corroborating some of the reaction mechanisms that have been proposed. In particular, it is shown that CID gives rise to linear fragment ion structures which have been proposed for some time, but also yields fully cyclical ring structures. These latter structures present a possible challenge for using tandem MS in the sequencing of peptides/proteins, as they can lead to a scrambling of the amino acid sequence information. In gas-phase HDX of an amino acid it is shown

  13. Chemical Sensing Using Infrared Cavity Enhanced Spectroscopy: Short Wave Infrared Cavity Ring Down Spectroscopy (SWIR CRDS) Sensor

    SciTech Connect

    Williams, Richard M.; Harper, Warren W.; Aker, Pam M.; Thompson, Jason S.; Stewart, Timothy L.

    2003-10-01

    The principal goal of Pacific Northwest National Laboratory's (PNNL's) Remote Spectroscopy Project is to explore and develop the science and technology behind point and stand off infrared (IR) spectroscopic chemical sensors that are needed for detecting weapons proliferation activity and countering terrorism. Missions addressed include detecting chemical, biological, and nuclear weapons and their production; counter terrorism measures that involve screening luggage, personnel, and shipping containers for explosives, firearms, narcotics, chemical weapons and/or their residues; and mapping of contaminated areas. The science and technology developed in this program is dual use in that it additionally supports progress in a diverse set of agendas that include chemical weapons defense programs, air operations activities, emissions monitoring, law enforcement, and medical diagnostics. Sensors for these missions require extremely low limits of detection because many of the targeted signature species are either present in low concentrations or have extremely low vapor pressures. The sensors also need to be highly selective as the environments that they will be operated in will contain a variety of interferent species and false positive detection is not an option. PNNL has been working on developing a class of sensors that draw vapor into optical cavities and use laser-based spectroscopy to identify and quantify the vapor chemical content. The cavity enhanced spectroscopies (CES) afford extreme sensitivity, excellent selectivity, noise immunity, and rapid, real-time, in-situ chemical characterization. PNNL's CES program is currently focused on developing two types of sensors. The first one, which is based on cavity ring down spectroscopy (CRDS), uses short wave infrared (SWIR) lasers to interrogate species. The second sensor, which is based on noise immune cavity-enhanced optical heterodyne molecular spectroscopy (NICE OHMS), uses long wave infrared (LWIR) quantum cascade

  14. Helium Tagging Infrared Photodissociation Spectroscopy of Reactive Ions.

    PubMed

    Roithová, Jana; Gray, Andrew; Andris, Erik; Jašík, Juraj; Gerlich, Dieter

    2016-02-16

    The interrogation of reaction intermediates is key for understanding chemical reactions; however their direct observation and study remains a considerable challenge. Mass spectrometry is one of the most sensitive analytical techniques, and its use to study reaction mixtures is now an established practice. However, the information that can be obtained is limited to elemental analysis and possibly to fragmentation behavior, which is often challenging to analyze. In order to extend the available experimental information, different types of spectroscopy in the infrared and visible region have been combined with mass spectrometry. Spectroscopy of mass selected ions usually utilizes the powerful sensitivity of mass spectrometers, and the absorption of photons is not detected as such but rather translated to mass changes. One approach to accomplish such spectroscopy involves loosely binding a tag to an ion that will be removed by absorption of one photon. We have constructed an ion trapping instrument capable of reaching temperatures that are sufficiently low to enable tagging by helium atoms in situ, thus permitting infrared photodissociation spectroscopy (IRPD) to be carried out. While tagging by larger rare gas atoms, such as neon or argon is also possible, these may cause significant structural changes to small and reactive species, making the use of helium highly beneficial. We discuss the "innocence" of helium as a tag in ion spectroscopy using several case studies. It is shown that helium tagging is effectively innocent when used with benzene dications, not interfering with their structure or IRPD spectrum. We have also provided a case study where we can see that despite its minimal size there are systems where He has a huge effect. A strong influence of the He tagging was shown in the IRPD spectra of HCCl(2+) where large spectral shifts were observed. While the presented systems are rather small, they involve the formation of mixtures of isomers. We have therefore

  15. Determination of styrene-butadiene rubber composition by attenuated total internal reflection infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Orlov, A. S.; Kiselev, S. A.; Kiseleva, E. A.; Budeeva, A. V.; Mashukov, V. I.

    2013-03-01

    A rapid method for determining the composition of styrene-butadiene rubber using attenuated total internal reflection infrared spectroscopy was proposed. PMR and 13C NMR spectroscopy and infrared transmission spectroscopy were used as absolute techniques for determining the compositions of calibration samples. It was shown that the method was applicable to a wide range of styrene-butadiene rubbers, did not require additional sample preparation, and was easily reproducible.

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

    PubMed Central

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

    2015-01-01

    Functional near-infrared spectroscopy (fNIRS) is an emerging non-invasive brain imaging technique and measures brain activities by means of near-infrared light of 650–950 nm wavelengths. The cortical hemodynamic response (HR) differs in attributes at different brain regions and on repetition of trials, even if the experimental paradigm is kept exactly the same. Therefore, an HR model that can estimate such variations in the response is the objective of this research. The canonical hemodynamic response function (cHRF) is modeled by two Gamma functions with six unknown parameters (four of them to model the shape and other two to scale and baseline respectively). The HRF model is supposed to be a linear combination of HRF, baseline, and physiological noises (amplitudes and frequencies of physiological noises are supposed to be unknown). An objective function is developed as a square of the residuals with constraints on 12 free parameters. The formulated problem is solved by using an iterative optimization algorithm to estimate the unknown parameters in the model. Inter-subject variations in HRF and physiological noises have been estimated for better cortical functional maps. The accuracy of the algorithm has been verified using 10 real and 15 simulated data sets. Ten healthy subjects participated in the experiment and their HRF for finger-tapping tasks have been estimated and analyzed. The statistical significance of the estimated activity strength parameters has been verified by employing statistical analysis (i.e., t-value > tcritical and p-value < 0.05). PMID:26136668

  17. [Study on the inclusion compound of avermectin by infrared spectroscopy].

    PubMed

    Shen, Wen; Zhang, Guang-Hua; Guo, Ning; Li, Yun-Tao

    2014-05-01

    This study was designed to investigate the formation and effect of inclusion complex of Avermectin-beta-cyclodextrin based on the accommodation property of beta-cyclodextrin's molecular cavity. The inclusion complex of Averrnectin-beta-cyclodextrin was prepared using saturated solution method and high performance liquid chromatography (HPLC) was employed to determine its entraping efficiency. The formation of Avermectin-beta-cyclodextrin inclusion complex was also demonstrated by infrared spectroscopy(IR). The change of chemical structure produced by photocatalysis of Abamectin was analyzed and the effect of inclusion complex to strengthen the photolysis stability of Abamectin's chemical structure was studied. The results show that the entraping efficiency of the inclusion complex was 40. 5%. The IR analysis presents that the intermolecular hydrogen bond was formed in the Avermectin-beta-cyclodextrin inclusion complex, indicating the composition effect was different from physical mixture. The lactones structure of Avermectin Bla can be photodecomposed and disrupted. After decomposition, the infrared stretching vibration peak of C-O-C structure disappeared and the lactone bond was significantly broken. The lactones structure of avermectin Bla was covered by the inclusion molecular loci in beta-cyclodextrin after the formation of avermectin-beta-cyclodextrin inclusion complex, providing a good photophobic protection for C-O-C structure in the macrocyclic lactone structure of avermectin Bla and improving the photostability of avermectin Bla molecule. The innovation of this study is that the structure and the characters of the prepared avermectin-beta-cyclodextrin inclusion complex were analyzed using spectrum methods. This inclusion complex is expected to be the ideal intermediate in the construction of protective controlled release formulation of avermectin. PMID:25095407

  18. Visible-super-resolution infrared microscopy using saturated transient fluorescence detected infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Bokor, Nándor; Inoue, Keiichi; Kogure, Satoshi; Fujii, Masaaki; Sakai, Makoto

    2010-02-01

    A scanning visible-super-resolution microscope based on the saturation behaviour of transient fluorescence detected infrared (TFD-IR) spectroscopy is proposed. A Gaussian IR beam, a Gaussian visible beam and a Laguerre-Gaussian (LG) visible beam are used to obtain two separate two-color excitation fluorescence (2CF) images of the sample. The final image is obtained as the difference between the two recorded images. If the peak intensity of the LG beam is high enough to induce saturation in the fluorescence signal, the image can, in principle, have unlimited spatial resolution. A ˜3-fold improvement in transverse resolution over the visible diffraction limit (and far exceeding the IR diffraction limit) is easily achievable in present experimental setups.

  19. 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.

  20. Nondestructive Assessment of Engineered Cartilage Composition by Near Infrared Spectroscopy.

    PubMed

    McGoverin, Cushla M; Hanifi, Arash; Palukuru, Uday P; Yousefi, Farzad; Glenn, Padraig B M; Shockley, Michael; Spencer, Richard G; Pleshko, Nancy

    2016-03-01

    Tissue engineering presents a strategy to overcome the limitations of current tissue healing methods. Scaffolds, cells, external growth factors and mechanical input are combined in an effort to obtain constructs with properties that mimic native tissues. However, engineered constructs developed using similar culture environments can have very different matrix composition and biomechanical properties. Accordingly, a nondestructive technique to assess constructs during development such that appropriate compositional endpoints can be defined is desirable. Near infrared spectroscopy (NIRS) analysis is a modality being investigated to address the challenges associated with current evaluation techniques, which includes nondestructive compositional assessment. In the present study, cartilage tissue constructs were grown using chondrocytes seeded onto polyglycolic acid (PGA) scaffolds in similar environments in three separate tissue culture experiments and monitored using NIRS. Multivariate partial least squares (PLS) analysis models of NIR spectra were calculated and used to predict tissue composition, with biochemical assay information used as the reference data. Results showed that for combined data from all tissue culture experiments, PLS models were able to assess composition with significant correlations to reference values, including engineered cartilage water (at 5200 cm(-1), R = 0.68, p = 0.03), proteoglycan (at 4310 cm(-1), R = 0.82, p = 0.007), and collagen (at 4610 cm(-1), R = 0.84, p = 0.005). In addition, degradation of PGA was monitored using specific NIRS frequencies. These results demonstrate that NIR spectroscopy combined with multivariate analysis provides a nondestructive modality to assess engineered cartilage, which could provide information to determine the optimal time for tissue harvest for clinical applications. PMID:26817457

  1. 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.

  2. Near-infrared spectroscopy of renal tissue in vivo

    NASA Astrophysics Data System (ADS)

    Grosenick, Dirk; Steinkellner, Oliver; Wabnitz, Heidrun; Macdonald, Rainer; Niendorf, Thoralf; Cantow, Kathleen; Flemming, Bert; Seeliger, Erdmann

    2013-03-01

    We have developed a method to quantify hemoglobin concentration and oxygen saturation within the renal cortex by near-infrared spectroscopy. A fiber optic probe was used to transmit the radiation of three semiconductor lasers at 690 nm, 800 nm and 830 nm to the tissue, and to collect diffusely remitted light at source-detector separations from 1 mm to 4 mm. To derive tissue hemoglobin concentration and oxygen saturation of hemoglobin the spatial dependence of the measured cw intensities was fitted by a Monte Carlo model. In this model the tissue was assumed to be homogeneous. The scaling factors between measured intensities and simulated photon flux were obtained by applying the same setup to a homogeneous semi-infinite phantom with known optical properties and by performing Monte Carlo simulations for this phantom. To accelerate the fit of the tissue optical properties a look-up table of the simulated reflected intensities was generated for the needed range of absorption and scattering coefficients. The intensities at the three wavelengths were fitted simultaneously using hemoglobin concentration, oxygen saturation, the reduced scattering coefficient at 800 nm and the scatter power coefficient as fit parameters. The method was employed to study the temporal changes of renal hemoglobin concentration and blood oxygenation on an anesthetized rat during a short period of renal ischemia induced by aortic occlusion and during subsequent reperfusion.

  3. Infrared spectroscopy and structure of (NO)n clusters

    DOE PAGESBeta

    Hoshina, Hiromichi; Slipchenko, Mikhail; Prozument, Kirill; Verma, Deepak; Schmidt, Michael W.; Ivanic, Joseph; Vilesov, Andrey F.

    2016-01-12

    Nitrogen oxide clusters (NO)n have been studied in He droplets via infrared depletion spectroscopy and by quantum chemical calculations. The ν1 and ν5 bands of cis-ON-NO dimer have been observed at 1868.2 and 1786.5 cm–1, respectively. Furthermore, spectral bands of the trimer and tetramer have been located in the vicinity of the corresponding dimer bands in accord with computed frequencies that place NO-stretch bands of dimer, trimer, and tetramer within a few wavenumbers of each other. In addition, a new line at 1878.1 cm–1 close to the band origin of single molecules was assigned to van der Waals bound dimersmore » of (NO)2, which are stabilized due to the rapid cooling in He droplets. Spectra of larger clusters (n > 5), have broad unresolved features in the vicinity of the dimer bands. As a result, experiments and calculations indicate that trimers consist of a dimer and a loosely bound third molecule, whereas the tetramer consists of two weakly bound dimers.« less

  4. Near-Infrared Spectroscopy for the Evaluation of Anesthetic Depth

    PubMed Central

    Hernandez-Meza, Gabriela; Izzetoglu, Meltem; Osbakken, Mary; Green, Michael; Izzetoglu, Kurtulus

    2015-01-01

    The standard-of-care guidelines published by the American Society of Anesthesiologists (ASA) recommend monitoring of pulse oximetry, blood pressure, heart rate, and end tidal CO2 during the use of anesthesia and sedation. This information can help to identify adverse events that may occur during procedures. However, these parameters are not specific to the effects of anesthetics or sedatives, and therefore they offer little, to no, real time information regarding the effects of those agents and do not give the clinician the lead-time necessary to prevent patient “awareness.” Since no “gold-standard” method is available to continuously, reliably, and effectively monitor the effects of sedatives and anesthetics, such a method is greatly needed. Investigation of the use of functional near-infrared spectroscopy (fNIRS) as a method for anesthesia or sedation monitoring and for the assessment of the effects of various anesthetic drugs on cerebral oxygenation has started to be conducted. The objective of this paper is to provide a thorough review of the currently available published scientific studies regarding the use of fNIRS in the fields of anesthesia and sedation monitoring, comment on their findings, and discuss the future work required for the translation of this technology to the clinical setting. PMID:26495317

  5. Wearable near-infrared spectroscopy neuroimaging and its applications.

    PubMed

    Funane, Tsukasa

    2015-08-01

    Wearable near-infrared spectroscopy (NIRS) systems are expected to be applied in various fields such as health care (medical use), education (teaching), and biofeedback. An investigation on hyperscanning by using NIRS is discussed first, where multiple brains were simultaneously measured for investigating and evaluating important social interactions, such as communication. The relationship between interacting brain activities and performance in cooperation has been demonstrated. An investigation on mood-state measurements in a return-to-work program is next discussed. It has been reported that a specified index calculated using NIRS signals obtained during performance of a working memory task correlated with a mood score. Using this index, the mood states of volunteers who participated in a return-to-work program after psychiatric clinical treatment were monitored. It has been suggested that the relationship between brain activities and subjective assessment of depression mood will be useful for evaluating the recovery stage for return-to-work programs. These techniques open new applications of wearable NIRS systems in mental health care. PMID:26737177

  6. Textile integrated sensors and actuators for near-infrared spectroscopy.

    PubMed

    Zysset, Christoph; Nasseri, Nassim; Büthe, Lars; Münzenrieder, Niko; Kinkeldei, Thomas; Petti, Luisa; Kleiser, Stefan; Salvatore, Giovanni A; Wolf, Martin; Tröster, Gerhard

    2013-02-11

    Being the closest layer to our body, textiles provide an ideal platform for integrating sensors and actuators to monitor physiological signals. We used a woven textile to integrate photodiodes and light emitting diodes. LEDs and photodiodes enable near-infrared spectroscopy (NIRS) systems to monitor arterial oxygen saturation and oxygenated and deoxygenated hemoglobin in human tissue. Photodiodes and LEDs are mounted on flexible plastic strips with widths of 4 mm and 2 mm, respectively. The strips are woven during the textile fabrication process in weft direction and interconnected with copper wires with a diameter of 71 μm in warp direction. The sensor textile is applied to measure the pulse waves in the fingertip and the changes in oxygenated and deoxygenated hemoglobin during a venous occlusion at the calf. The system has a signal-to-noise ratio of more than 70 dB and a system drift of 0.37% ± 0.48%. The presented work demonstrates the feasibility of integrating photodiodes and LEDs into woven textiles, a step towards wearable health monitoring devices. PMID:23481780

  7. Raman and infrared fingerprint spectroscopy of peroxide-based explosives.

    PubMed

    Oxley, Jimmie; Smith, James; Brady, Joseph; Dubnikova, Faina; Kosloff, Ronnie; Zeiri, Leila; Zeiri, Yehuda

    2008-08-01

    A comparative study of the vibrational spectroscopy of peroxide-based explosives is presented. Triacetone triperoxide (TATP) and hexamethyl-enetriperoxide-diamine (HMTD), now commonly used by terrorists, are examined as well as other peroxide-ring structures: DADP (diacetone diperoxide); TPTP [3,3,6,6,9,9-Hexaethyl-1,2,4,5,7,8-hexaoxo-nonane (tripentanone triperoxide)]; DCypDp {6,7,13,14-Tetraoxadispiro [4.2.4.2]tetradecane (dicyclopentanone diperoxide)}; TCypDp {6,7,15,16,22,23-Hexaoxatrispiro[4.2.4.2.4.2] henicosane (tricyclopentanone triperoxide)}; DCyhDp {7,8,15,16-tetraoxadispiro [5.2.5.2] hexadecane (dicyclohexanone diperoxide)}; and TCyhTp {7,8,14,15,21,22-hexaoxatrispiro [5.2.5.2.5.2] tetracosane (tricyclohexanone triperoxide)}. Both Raman and infrared (IR) spectra were measured and compared to theoretical calculations. The calculated spectra were obtained by calculation of the harmonic frequencies of the studied compounds, at the density functional theory (DFT) B3LYP/cc-pVDZ level of theory, and by the use of scaling factors. It is found that the vibrational features related to the peroxide bonds are strongly mixed. As a result, the spectrum is congested and highly sensitive to minor changes in the molecule. PMID:18702865

  8. Ageing of resin from Pinus species assessed by infrared spectroscopy.

    PubMed

    Beltran, Victòria; Salvadó, Nati; Butí, Salvador; Pradell, Trinitat

    2016-06-01

    Resins obtained from Pinus genus species have been widely used in very different fields throughout history. As soon as the resins are secreted, molecular changes start altering their chemical, mechanical and optical properties. The ageing processes are complex, and the chemical and structural changes associated with resin degradation are not yet fully known. Many questions still remain open, for instance changes happening in pimaranes, one of the two diterpenoid constituents of the resin. A systematic study of the ageing process of Pinus resins is done through Fourier transform infrared spectroscopy (FTIR) using chemical standards and complementing the obtained results with gas chromatography coupled to mass spectrometry (GC/MS) analysis when necessary. Moreover, long-term degradation processes are also investigated through the analysis of a selection of dated historical resins. This study overcomes the limitations of GC/MS and brings new information about the reactions and interactions between molecules during Pinus resin ageing processes. It also provides information about which bonds are affected and unaffected, and these can be used as specific markers of the degradation and of the resins themselves. Graphical Abstract Changes in the IR spectral features due to the Pinus resin ageing processes. PMID:27052772

  9. Infrared Spectroscopy and Structure of (NO)n Clusters.

    PubMed

    Hoshina, Hiromichi; Slipchenko, Mikhail; Prozument, Kirill; Verma, Deepak; Schmidt, Michael W; Ivanic, Joseph; Vilesov, Andrey F

    2016-02-01

    Nitrogen oxide clusters (NO)n have been studied in He droplets via infrared depletion spectroscopy and by quantum chemical calculations. The ν1 and ν5 bands of cis-ON-NO dimer have been observed at 1868.2 and 1786.5 cm(-1), respectively. Furthermore, spectral bands of the trimer and tetramer have been located in the vicinity of the corresponding dimer bands in accord with computed frequencies that place NO-stretch bands of dimer, trimer, and tetramer within a few wavenumbers of each other. In addition, a new line at 1878.1 cm(-1) close to the band origin of single molecules was assigned to van der Waals bound dimers of (NO)2, which are stabilized due to the rapid cooling in He droplets. Spectra of larger clusters (n > 5), have broad unresolved features in the vicinity of the dimer bands. Experiments and calculations indicate that trimers consist of a dimer and a loosely bound third molecule, whereas the tetramer consists of two weakly bound dimers. PMID:26756475

  10. Rapid Characterization of Tanshinone Extract Powder by Near Infrared Spectroscopy

    PubMed Central

    Luo, Gan; Xu, Bing; Shi, Xinyuan; Li, Jianyu; Dai, Shengyun; Qiao, Yanjiang

    2015-01-01

    Chemical and physical quality attributes of herbal extract powders play an important role in the research and development of Chinese medicine preparations. The active pharmaceutical ingredients have a direct impact on the herbal extract's efficacy, while the physical properties of raw material affect the pharmaceutical manufacturing process and the final products' quality. In this study, tanshinone extract powders from Salvia miltiorrhiza which are widely used for the treatment of cardiovascular diseases in the clinic are taken as the research object. Both the chemical information and physical information of tanshinone extract powders are analyzed by near infrared (NIR) spectroscopy. The partial least squares (PLS) and least square support vector machine (LS-SVM) models are investigated to build the relationship between NIR spectra and reference values. PLS models performed well for the content of crytotanshinone, tanshinone IIA, the moisture, and average median particle size, while, for specific surface area and tapped density, the LS-SVM models performed better than the PLS models. Results demonstrated NIR to be a valid and fast process analytical technology tool to simultaneously determine multiple quality attributes of herbal extract powders and indicated that there existed some nonlinear relationship between NIR spectra and physical quality attributes. PMID:25866511

  11. Near infrared spectroscopy based brain-computer interface

    NASA Astrophysics Data System (ADS)

    Ranganatha, Sitaram; Hoshi, Yoko; Guan, Cuntai

    2005-04-01

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

  12. Near-infrared imaging spectroscopy for counterfeit drug detection

    NASA Astrophysics Data System (ADS)

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

    2011-06-01

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

  13. Fourier transform infrared spectroscopy (FTIR) of laser-irradiated cementum

    NASA Astrophysics Data System (ADS)

    Rechmann, Peter; White, Joel M.; Cecchini, Silvia C. M.; Hennig, Thomas

    2003-06-01

    Utilizing Fourier Transform Infrared Spectroscopy (FTIR) in specular reflectance mode chemical changes of root cement surfaces due to laser radiation were investigated. A total of 18 samples of root cement were analyzed, six served as controls. In this study laser energies were set to those known for removal of calculus or for disinfection of periodontal pockets. Major changes in organic as well as inorganic components of the cementum were observed following Nd:YAG laser irradiation (wavelength 1064 nm, pulse duration 250 μs, free running, pulse repetition rate 20 Hz, fiber diameter 320 μm, contact mode; Iskra Twinlight, Fontona, Slovenia). Er:YAG laser irradiation (wavelength 2.94 μm, pulse duration 250 μs, free running, pulse repetition rate 6 Hz, focus diameter 620 μm, air water cooling 30 ml/min; Iskra Twinlight, Fontona, Slovenia) significantly reduced the Amid bands due to changes in the organic components. After irradiation with a frequency doubled Alexandrite laser (wavelength 377 nm, pulse duration 200 ns, q-switched, pulse repetition rate 20 Hz, beam diameter 800 μm, contact mode, water cooling 30 ml/min; laboratory prototype) only minimal reductions in the peak intensity of the Amide-II band were detected.

  14. Fully Automated Lipid Pool Detection Using Near Infrared Spectroscopy

    PubMed Central

    Wojakowski, Wojciech

    2016-01-01

    Background. Detecting and identifying vulnerable plaque, which is prone to rupture, is still a challenge for cardiologist. Such lipid core-containing plaque is still not identifiable by everyday angiography, thus triggering the need to develop a new tool where NIRS-IVUS can visualize plaque characterization in terms of its chemical and morphologic characteristic. The new tool can lead to the development of new methods of interpreting the newly obtained data. In this study, the algorithm to fully automated lipid pool detection on NIRS images is proposed. Method. Designed algorithm is divided into four stages: preprocessing (image enhancement), segmentation of artifacts, detection of lipid areas, and calculation of Lipid Core Burden Index. Results. A total of 31 NIRS chemograms were analyzed by two methods. The metrics, total LCBI, maximal LCBI in 4 mm blocks, and maximal LCBI in 2 mm blocks, were calculated to compare presented algorithm with commercial available system. Both intraclass correlation (ICC) and Bland-Altman plots showed good agreement and correlation between used methods. Conclusions. Proposed algorithm is fully automated lipid pool detection on near infrared spectroscopy images. It is a tool developed for offline data analysis, which could be easily augmented for newer functions and projects. PMID:27610191

  15. Fully Automated Lipid Pool Detection Using Near Infrared Spectroscopy.

    PubMed

    Pociask, Elżbieta; Jaworek-Korjakowska, Joanna; Malinowski, Krzysztof Piotr; Roleder, Tomasz; Wojakowski, Wojciech

    2016-01-01

    Background. Detecting and identifying vulnerable plaque, which is prone to rupture, is still a challenge for cardiologist. Such lipid core-containing plaque is still not identifiable by everyday angiography, thus triggering the need to develop a new tool where NIRS-IVUS can visualize plaque characterization in terms of its chemical and morphologic characteristic. The new tool can lead to the development of new methods of interpreting the newly obtained data. In this study, the algorithm to fully automated lipid pool detection on NIRS images is proposed. Method. Designed algorithm is divided into four stages: preprocessing (image enhancement), segmentation of artifacts, detection of lipid areas, and calculation of Lipid Core Burden Index. Results. A total of 31 NIRS chemograms were analyzed by two methods. The metrics, total LCBI, maximal LCBI in 4 mm blocks, and maximal LCBI in 2 mm blocks, were calculated to compare presented algorithm with commercial available system. Both intraclass correlation (ICC) and Bland-Altman plots showed good agreement and correlation between used methods. Conclusions. Proposed algorithm is fully automated lipid pool detection on near infrared spectroscopy images. It is a tool developed for offline data analysis, which could be easily augmented for newer functions and projects. PMID:27610191

  16. Near-infrared spectroscopy of Type Ia supernovae

    NASA Astrophysics Data System (ADS)

    Hsiao, Eric; Phillips, Mark; Burns, Christopher R.; Contreras, Carlos; Gall, Christa; Hoeflich, Peter; Kirshner, Robert P.; Marion, Howie H.; Morrell, Nidia; Sand, David J.; Stritzinger, Maximillian; Carnegie Supernova Project

    2016-01-01

    Improving the cosmological experiments with Type Ia supernovae (SNe Ia) is now not simply a question of observing more supernovae, since any survey, no matter how large, will ultimately be limited by the systematic errors. It has been clearly demonstrated in a number of studies that SNe Ia are better distance indicators in the near-infrared compared to the optical. As exciting as these new results are, SNe Ia in the NIR are expected to be even better than these studies indicate. A key ingredient for improving SN Ia in the NIR as distance indicators is to obtain NIR spectroscopy to determine precise k-corrections, which account for the effect of cosmological expansion upon the measured magnitudes. Better knowledge of the NIR spectroscopic behaviors, akin to that in the optical, is necessary to reach the distance precision required to identify viable models for dark energy. Carnegie Supernova Project II has built a definitive data set, much improved from previous samples, both in size and quality. With this previously unavailable window, we are also beginning to gain new insight on the physics of these events.

  17. Detecting concealed information using functional near-infrared spectroscopy.

    PubMed

    Sai, Liyang; Zhou, Xiaomei; Ding, Xiao Pan; Fu, Genyue; Sang, Biao

    2014-09-01

    The present study focused on the potential application of fNIRS in the detection of concealed information. Participants either committed a mock crime or not and then were presented with a randomized series of probes (crime-related information) and irrelevants (crime-irrelevant information) in a standard concealed information test (CIT). Participants in the guilty group were instructed to conceal crime-related information they obtained from the mock crime, thus making deceptive response to the probes. Meanwhile, their brain activity to probes and irrelevants was recorded by functional near-infrared spectroscopy (fNIRS). At the group level, we found that probe items were associated with longer reaction times and greater activity in bilateral dorsolateral prefrontal cortex and supplementary motor cortex than irrelevant items in the guilty group, but not in the innocent group. These findings provided evidence on neural correlates of recognition during a CIT. Finally, on the basis of the activity in bilateral dorsolateral prefrontal cortex and supplementary motor cortex, the correct classification of guilty versus innocent participants was approximately 75 % and the combination of fNIRS and reaction time measures yielded a better classification rate of 83.3 %. These findings illustrate the feasibility and promise of using fNIRS to detect concealed information. PMID:24514911

  18. Characterization and Infrared Emission Spectroscopy of Ball Plasmoid Discharges

    NASA Astrophysics Data System (ADS)

    Dubowsky, Scott E.; McCall, Benjamin J.

    2015-06-01

    Plasmas at atmospheric pressure serve many purposes, from ionization sources for ambient mass spectrometry (AMS) to plasma-assisted wound healing. Of the many naturally occurring ambient plasmas, ball lightning is one of the least understood; there is currently no solid explanation in the literature for the formation and lifetime of natural ball lightning. With the first measurements of naturally occurring ball lightning being reported last year, we have worked to replicate the natural phenomenon in order to elucidate the physical and chemical processes by which the plasma is sustained at ambient conditions. We are able to generate ball-shaped plasmoids (self-sustaining plasmas) that are analogous to natural ball lightning using a high-voltage, high-current, pulsed DC system. Improvements to the discharge electronics used in our laboratory and characterization of the plasmoids that are generated from this system will be described. Infrared emission spectroscopy of these plasmoids reveals emission from water and hydroxyl radical -- fitting methods for these molecular species in the complex experimental spectra will be presented. Rotational temperatures for the stretching and bending modes of H2O along with that of OH will be presented, and the non-equilibrium nature of the plasmoid will be discussed in this context. Cen, J.; Yuan, P,; Xue, S. Phys. Rev. Lett. 2014, 112, 035001. Dubowsky, S.E.; Friday, D.M.; Peters, K.C.; Zhao, Z.; Perry, R.H.; McCall, B.J. Int. J. Mass Spectrom. 2015, 376, 39-45.

  19. Prediction of chicken quality attributes by near infrared spectroscopy.

    PubMed

    Barbin, Douglas Fernandes; Kaminishikawahara, Cintia Midori; Soares, Adriana Lourenco; Mizubuti, Ivone Yurika; Grespan, Moises; Shimokomaki, Massami; Hirooka, Elisa Yoko

    2015-02-01

    In the present study, near-infrared (NIR) reflectance was tested as a potential technique to predict quality attributes of chicken breast (Pectoralis major). Spectra in the wavelengths between 400 and 2500nm were analysed using principal component analysis (PCA) and quality attributes were predicted using partial least-squares regression (PLSR). PCA performed on NIR dataset revealed the influence of muscle reflectance (L(∗)) influencing the spectra. PCA was not successful to completely discriminate between pale, soft and exudative (PSE) and pale-only muscles. High-quality PLSR were obtained for L(∗) and pH models predicted individually (R(2)CV of 0.91 and 0.81, and SECV of 1.99 and 0.07, respectively). Water-holding capacity was the most challenging attribute to determine (R(2)CV of 0.70 and SECV of 2.40%). Sample mincing and different spectra pre-treatments were not necessary to maximise the predictive performance of models. Results suggest that NIR spectroscopy can become useful tool for quality assessment of chicken meat. PMID:25172747

  20. Dynamic causal modelling for functional near-infrared spectroscopy

    PubMed Central

    Tak, S.; Kempny, A.M.; Friston, K.J.; Leff, A.P.; Penny, W.D.

    2015-01-01

    Functional near-infrared spectroscopy (fNIRS) is an emerging technique for measuring changes in cerebral hemoglobin concentration via optical absorption changes. Although there is great interest in using fNIRS to study brain connectivity, current methods are unable to infer the directionality of neuronal connections. In this paper, we apply Dynamic Causal Modelling (DCM) to fNIRS data. Specifically, we present a generative model of how observed fNIRS data are caused by interactions among hidden neuronal states. Inversion of this generative model, using an established Bayesian framework (variational Laplace), then enables inference about changes in directed connectivity at the neuronal level. Using experimental data acquired during motor imagery and motor execution tasks, we show that directed (i.e., effective) connectivity from the supplementary motor area to the primary motor cortex is negatively modulated by motor imagery, and this suppressive influence causes reduced activity in the primary motor cortex during motor imagery. These results are consistent with findings of previous functional magnetic resonance imaging (fMRI) studies, suggesting that the proposed method enables one to infer directed interactions in the brain mediated by neuronal dynamics from measurements of optical density changes. PMID:25724757

  1. Phase-amplitude crosstalk in intensity modulated near infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Alford, K.; Wickramasinghe, Y.

    2000-05-01

    Near infrared spectroscopy (NIRS) instruments that rely on phase sensitive detection suffer from what is called "phase-amplitude crosstalk," i.e., the phase measured is dependent on the average light intensity entering the detector. Changes in detector rise time with input light intensity is the accepted explanation of this phenomenon. It is concluded here that an additional simple mechanism can cause phase-amplitude errors, particularly if the ratio of the ac component of the detected signal to the dc component is low. It is shown that the form of the phase distortion encountered during the development of a new phase sensitive NIR instrument can be modeled by assuming the presence of a synchronous interfering signal, due to rf coupling, at the detector output. This modeling allows a required margin between the detected signal of interest, i.e., the signal from the tissue and the interfering signal to be set in order to achieve a measured phase accuracy necessary to derive sufficiently accurate clinical parameters.

  2. Application of functional near-infrared spectroscopy in psychiatry.

    PubMed

    Ehlis, Ann-Christine; Schneider, Sabrina; Dresler, Thomas; Fallgatter, Andreas J

    2014-01-15

    Two decades ago, the introduction of functional near-infrared spectroscopy (fNIRS) into the field of neuroscience created new opportunities for investigating neural processes within the human cerebral cortex. Since then, fNIRS has been increasingly used to conduct functional activation studies in different neuropsychiatric disorders, most prominently schizophrenic illnesses, affective disorders and developmental syndromes, such as attention-deficit/hyperactivity disorder as well as normal and pathological aging. This review article provides a comprehensive overview of state of the art fNIRS research in psychiatry covering a wide range of applications, including studies on the phenomenological characterization of psychiatric disorders, descriptions of life-time developmental aspects, treatment effects, and genetic influences on neuroimaging data. Finally, methodological shortcomings as well as current research perspectives and promising future applications of fNIRS in psychiatry are discussed. We conclude that fNIRS is a valid addition to the range of neuroscientific methods available to assess neural mechanisms underlying neuropsychiatric disorders. Future research should particularly focus on expanding the presently used activation paradigms and cortical regions of interest, while additionally fostering technical and methodological advances particularly concerning the identification and removal of extracranial influences on fNIRS data as well as systematic artifact correction. Eventually, fNIRS might be a useful tool in practical psychiatric settings involving both diagnostics and the complementary treatment of psychological disorders using, for example, neurofeedback applications. PMID:23578578

  3. Near-infrared spectroscopy for rapid classification of fruit spirits.

    PubMed

    Jakubíková, M; Sádecká, J; Kleinová, A; Májek, P

    2016-06-01

    Multivariate analysis combined with near-infrared (NIR) spectral analysis was evaluated to classify fruit spirits. A total of 67 fruit spirits (12 apple, 18 apricot, 19 pear and 18 plum spirits) were analyzed. NIR spectra were collected in the wavenumber range of 4000-10,000 cm(-1). Linear discriminant analysis based on principal component analysis (PCA-LDA) and general discriminant analysis (GDA) based directly on NIR spectral data were used to classify the samples. The prediction performance of models in different wavenumber ranges was also investigated. The best PCA-LDA and GDA models gave a 100 % classification of spirits of the four fruit kinds in the wavenumber range from 5500 to 6050 cm(-1) corresponding to either the C-H stretch of the first overtones of CH3 and CH2 groups, or to compounds containing O-H aromatic groups. The results demonstrated that NIR spectroscopy could be used as a rapid method for classification of fruit spirits. PMID:27478236

  4. Infrared spectroscopy and the ferromagnetic transition in Gd.

    PubMed

    Obied, L H; Crandles, D A; Antonov, V N; Bose, S K; Jepsen, O

    2013-01-23

    The low energy electronic structure of Gd has been investigated experimentally by infrared reflectance spectroscopy, and theoretically from first principles, using the fully relativistic Dirac linear-muffin-tin-orbital (LMTO) method in the local spin density approximation (LSDA) as well as within the LSDA + U approach. The reflectance of a Gd single crystal was measured with the electric field in the plane perpendicular to the c-axis for temperatures between 50 K and slightly above the Curie temperature (293 K) in the frequency range between 100 and 12 000 cm(-1) (0.013-1.5 eV). As Gd enters the ferromagnetic state, the dissipative part of the optical conductivity exhibits interesting spectral weight transfers over the whole spectral range measured. It is shown that the ab initio calculations reproduce well the experimental spectra for the ferromagnetic state and allow one to explain the microscopic origin of the optical response of Gd in terms of interband transitions. PMID:23221360

  5. Near infrared spectroscopic imaging assessment of cartilage composition: Validation with mid infrared imaging spectroscopy.

    PubMed

    Palukuru, Uday P; Hanifi, Arash; McGoverin, Cushla M; Devlin, Sean; Lelkes, Peter I; Pleshko, Nancy

    2016-07-01

    Disease or injury to articular cartilage results in loss of extracellular matrix components which can lead to the development of osteoarthritis (OA). To better understand the process of disease development, there is a need for evaluation of changes in cartilage composition without the requirement of extensive sample preparation. Near infrared (NIR) spectroscopy is a chemical investigative technique based on molecular vibrations that is increasingly used as an assessment tool for studying cartilage composition. However, the assignment of specific molecular vibrations to absorbance bands in the NIR spectrum of cartilage, which arise from overtones and combinations of primary absorbances in the mid infrared (MIR) spectral region, has been challenging. In contrast, MIR spectroscopic assessment of cartilage is well-established, with many studies validating the assignment of specific bands present in MIR spectra to specific molecular vibrations. In the current study, NIR imaging spectroscopic data were obtained for compositional analysis of tissues that served as an in vitro model of OA. MIR spectroscopic data obtained from the identical tissue regions were used as the gold-standard for collagen and proteoglycan (PG) content. MIR spectroscopy in transmittance mode typically requires a much shorter pathlength through the sample (≤10 microns thick) compared to NIR spectroscopy (millimeters). Thus, this study first addressed the linearity of small absorbance bands in the MIR region with increasing tissue thickness, suitable for obtaining a signal in both the MIR and NIR regions. It was found that the linearity of specific, small MIR absorbance bands attributable to the collagen and PG components of cartilage (at 1336 and 856 cm(-1), respectively) are maintained through a thickness of 60 μm, which was also suitable for NIR data collection. MIR and NIR spectral data were then collected from 60 μm thick samples of cartilage degraded with chondroitinase ABC as a model

  6. 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.

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

    PubMed

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

    2016-02-01

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

  8. Infrared Spectroscopy of Star Formation in Galactic and Extragalactic Regions

    NASA Technical Reports Server (NTRS)

    Smith, Howard A.; Hasan, Hashima (Technical Monitor)

    2004-01-01

    Last year we submitted and had accepted a paper entitled "The Far-Infrared Emission Line and Continuum Spectrum of the Seyfert Galaxy NGC 1068," by Spinoglio, L., Malkan, M., Smith. HA, Gonzalez-Alfonso, E., and Fischer, J. This analysis was based on the SWAS Monte Carlo code modeling of the OH lines in galaxies observed by ISO. Since that meeting last spring considerable effort has been put into improving the Monte Carlo code. A group of European astronomers, including Prof. Eduardo Gonzalez-Alfonso, had been performing Monte Carlo modeling of other molecules seen in ISO galaxies. We used portions of this grant to bring Prof. Gonzalez-Alfonso to Cambridge for an intensive working visit. A second major paper on the ISO IR spectroscopy of galaxies, "The Far Infrared Spectrum of Arp 220," Gonzalez-Alfonso, E., Smith. H., Fischer, J., and Cernicharo, J., is in press. Spitzer science development was the major component of this past year;s research. This program supported the development of five Early Release Objects for Spitzer observations on which Dr. Smith was Principal Investigator or Co-Investigator, and another five proposals for GO time. The early release program is designed to rapidly present to the public and the scientific community some exciting results from Spitzer in the first months of its operation. The Spitzer instrument and science teams submitted proposals for ERO objects, and a competitive selection process narrowed these down to a small group with exciting science and realistic observational parameters. This grant supported Dr. Smith's participation in the ERO process, including developing science goals, identifying key objects for observation, and developing the detailed AOR (observing formulae) to be use by the instruments for mapping, integrating, etc.). During this year Dr. Smith worked on writing up and publishing these early results. The attached bibliography includes six of Dr. Smith's articles. During this past year Dr. Smith also led or

  9. Jupiter's atmospheric composition from the Cassini thermal infrared spectroscopy experiment

    NASA Technical Reports Server (NTRS)

    Kunde, V. G.; Flasar, F. M.; Jennings, D. E.; Bezard, B.; Strobel, D. F.; Conrath, B. J.; Nixon, C. A.; Bjoraker, G. L.; Romani, P. N.; Achterberg, R. K.; Simon-Miller, A. A.; Irwin, P.; Brasunas, J. C.; Pearl, J. C.; Smith, M. D.; Orton, G. S.; Gierasch, P. J.; Spilker, L. J.; Carlson, R. C.; Mamoutkine, A. A.; Calcutt, S. B.; Read, P. L.; Taylor, F. W.; Fouchet, T.; Parrish, P.

    2004-01-01

    The Composite Infrared Spectrometer observed Jupiter in the thermal infrared during the swing-by of the Cassini spacecraft. Results include the detection of two new stratospheric species, the methyl radical and diacetylene, gaseous species present in the north and south auroral infrared hot spots; determination of the variations with latitude of acetylene and ethane, the latter a tracer of atmospheric motion; observations of unexpected spatial distributions of carbon dioxide and hydrogen cyanide, both considered to be products of comet Shoemaker-Levy 9 impacts; characterization of the morphology of the auroral infrared hot spot acetylene emission; and a new evaluation of the energetics of the northern auroral infrared hot spot.

  10. Implanted near-infrared spectroscopy for cardiac monitoring

    NASA Astrophysics Data System (ADS)

    Bhunia, Sourav K.; Cinbis, Can

    2011-02-01

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

  11. Astronomical Spectroscopy: Calibration Sources for the Near Infrared

    NASA Astrophysics Data System (ADS)

    Kerber, Florian; Aldenius, Maria; Nave, Gillian; Sansonetti, Craig J.; Ralchenko, Yuri

    2009-05-01

    The European Southern Observatory (ESO) operates a multitude of telescopes and instruments at its La Silla Paranal Observatory in Chile. The most powerful ones are the four 8-m telescopes of the Very Large Telescope (VLT). ESO is currently studying an Extremely Large Telescope (ELT) with a diameter of the primary mirror of 42 m. This telescope will make use of various techniques of adaptive optics (AO) to counter the perturbing effect of Earth's atmosphere. Due to the wavelength dependent performance of AO the European ELT (E-ELT) will be most powerful in the near-infrared (IR) domain. A collaboration of ESO and the US Institute for Standards and Technology (NIST) has successfully established wavelength standards in the emission spectrum of Th-Ar hollow cathode lamps for high resolution spectroscopy. This has been a major advancement for near-IR astronomy, which has traditionally relied on atmospheric features for wavelength calibration. ESO and NIST report on joint efforts to identify and establish the best sources for wavelength calibration for the 2nd generation of VLT instrument and for the E-ELT. To this end we are studying the near-IR spectra of various elements. With the focus of astronomy moving toward IR wavelengths the astronomical community will have a need for a large amount of atomic and molecular data in order to perform the scientific analysis of their data. It will be essential that the long-standing and fruitful collaboration between astrophysics and the atomic and molecular physics community continues in the future.

  12. Evaluation of Phalaenopsis flowering quality using near infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Chen, Suming; Chuang, Yung-Kun; Tsai, Chao-Yin; Chang, Yao-Chien A.; Yang, I.-Chang; Chang, Yung-Huei; Tai, Chu-Chun; Hou, Jiunn-Yan

    2013-05-01

    Carbohydrate contents have been demonstrated as indicators for flowering quality of Phalaenopsis plants. In this study, near infrared reflectance (NIR) spectroscopy was employed for quantitative analysis of carbohydrate contents like fructose, glucose, sucrose, and starch in Phalaenopsis. The modified partial least squares regression (MPLSR) method was adopted for spectra analyses of 176 grown plant samples (88 shoots and 88 roots), over the full wavelength range (FWR, 400 to 2498 nm). For fructose concentrations, the smoothing 1st derivative model can produce the best effect (Rc = 0.961, SEC = 0.210% DW, SEV = 0.324% DW) in the wavelength ranges of 1400-1600, 1800-2000, and 2200-2300 nm. For glucose concentrations, the smoothing 1st derivative model can produce the best effect (Rc = 0.975, SEC = 0.196% DW, SEV = 0.264% DW) in the wavelength range of 1400-1600, 1800-2000, and 2100-2400 nm. For sucrose concentrations, the smoothing 1st derivative model can produce the best effect (Rc = 0.961, SEC = 0.237% DW, SEV = 0.322% DW) in the wavelength range of 1300-1400, 1500-1800, 2000-2100, and 2200-2300 nm. For starch concentrations, the smoothing 1st derivative model can produce the best effect (Rc = 0.873, SEC = 0.697% DW, SEV = 0.774% DW) in the wavelength ranges of 500-700, 1200-1300, 1700-1800, and 2200-2300 nm. This study successfully developed the calibration models for inspecting concentrations of carbohydrates to predict the flowering quality in different cultivation environments of Phalaenopsis. The specific wavelengths can be used to predict the quality of Phalaenopsis flowers and thus to adjust cultivation managements.

  13. TATP and TNT detection by mid-infrared transmission spectroscopy

    NASA Astrophysics Data System (ADS)

    Herbst, Johannes; Hildenbrand, Jürgen; Wöllenstein, Jürgen; Lambrecht, Armin

    2009-05-01

    Sensitive and fast detection of explosives remains a challenge in many threat scenarios. Fraunhofer IPM works on two different detection methods using mid-infrared absorption spectroscopy in combination with quantum cascade lasers (QCL). 1. stand-off detection for a spatial distance of several meters and 2. contactless extractive sampling for short distance applications. The extractive method is based on a hollow fiber that works as gas cell and optical waveguide for the QCL light. The samples are membranes contaminated with the explosives and real background. The low vapor pressure of TNT requires a thermal desorbtion to introduce gaseous TNT and TATP into the heated fiber. The advantage of the hollow fiber setup is the resulting small sample volume. This enables a fast gas exchange rate and fast detection in the second range. The presented measurement setup achieves a detection limit of around 58 ng TNT and 26 ng TATP for 1 m hollow fiber. TATP - an explosive with a very high vapor pressure in comparison to TNT or other explosives - shows potential for an adequate concentration in gas phase under normal ambient conditions and thus the possibility of an explosive detection using open path absorption of TATP at 8 μm wavelength. In order to lower the cross sensitivities or interferents with substances with an absorption in the wavelength range of the TATP absorption the probe volume is checked synchronously by a second QCL emitting beside the target absorption wavelength. In laboratory measurements a detection limit of 5 ppm*m TATP are achieved.

  14. Fetal oxygenation measurement using wireless near infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Macnab, Andrew; Shadgan, Babak; Janssen, Patricia; Rurak, Dan

    2012-03-01

    Background: Fetal well-being is determined in large part by how well the placenta is able to supply oxygen and nutrients, but current technology is unable to directly measure how well a placenta functions. Near-infrared spectroscopy (NIRS) utilizes optical methods to measure tissue oxygenation. This pilot project evaluated the feasibility of NIRS for fetal monitoring through the maternal abdominal wall using a sheep model. Methods: A miniature wireless 2-wavelength NIRS device was placed on the abdominal skin over the placenta of a pregnant ewe whose fetus had been chronically catheterized to allow arterial sampling for measurement of arterial oxygen saturation. The NIRS device has 3-paired light emitting diodes and a single photodiode detector; allowing measurement of an index of tissue oxygen saturation (TSI%). Fetal limb TSI% values were compared before and during fetal breathing movements. Correlation was made during these events between arterial values and placental TSI% monitored continuously in real time. Results: Serial measurements were obtained in a single experiment. The correlation between transcutaneous NIRS derived TSI% and direct arterial oxygen saturation was very high (R2=0.86). Measures of fetal limb TSI% were declined after episodes of fetal breathing (P<0.005). Conclusions: This correlation suggests that NIRS is sensitive enough to detect changes in fetal tissue oxygenation noninvasively through the maternal abdominal wall in real-time in a sheep model. NIRS data confirmed that fetal breathing movements decrease arterial oxygen saturation in fetal lambs. If validated by further study this optical methodology could be applied as means of monitoring fetal wellbeing in humans.

  15. MOS spectroscopy with the JWST Near-Infrared Spectrometer

    NASA Astrophysics Data System (ADS)

    Karakla, Diane M.; Beck, Tracy; Gilbert, Karoline; Pontoppidan, Klaus Martin; Curtis, Gary; Shyrokov, Alexander

    2015-08-01

    The James Webb Space Telescope's Near-Infrared Spectrograph (NIRSpec) will feature astronomy’s first space-based, multi-object spectroscopic (MOS) capability enabled by the instrument’s micro-shutter array (MSA). The MSA is a four-quadrant fixed grid of nearly 250,000 tiny shutters that can be configured into slits on multiple astronomical targets in a field. In MOS mode, NIRSpec can obtain spectra of more than 100 targets simultaneously in one of three spectral bands (1.0 - 1.8 μm, 1.7 - 3.0 μm, and 2.9 - 5.0 μm) at medium (R~1000) or high resolution (R~2700) with the gratings, or at lower resolution (R~100, 0.6 - 5.0 μm) with the PRISM. The NIRSpec team and software developers at the Space Telescope Science Institute (STScI) have developed an MSA Planning Tool (MPT) to facilitate the complex observation planning process for a variety of observing strategies. The purpose of the tool is to find optimal pointings on the sky where many sources (or many high-valued sources) can be observed at a given pointing, or through a set of telescope dithers, and to design the associated MSA configurations at each position. The MPT is available to the astronomical community as part of the Astronomer’s Proposal Tool (APT), an integrated software package developed by STScI for the preparation of observing proposals. We will summarize the operational concept for MOS spectroscopy with the instrument, describe the MSA Planning Tool and its algorithms, and highlight recent developments that extend the tool’s applicability to diverse science cases.

  16. Near-infrared Spectroscopy of EX Lupi in Outburst

    NASA Astrophysics Data System (ADS)

    Kóspál, Á.; Ábrahám, P.; Goto, M.; Regály, Zs.; Dullemond, C. P.; Henning, Th.; Juhász, A.; Sicilia-Aguilar, A.; van den Ancker, M.

    2011-07-01

    EX Lup is the prototype of the EXor class of young eruptive stars: objects showing repetitive brightenings due to increased accretion from the circumstellar disk to the star. In this paper, we report on medium-resolution near-infrared spectroscopy of EX Lup taken during its extreme outburst in 2008, as well as numerical modeling with the aim of determining the physical conditions around the star. We detect emission lines from atomic hydrogen, helium, and metals, as well as first overtone bandhead emission from carbon monoxide. Our results indicate that the emission lines are originating from gas located in a dust-free region within ≈0.2 AU of the star. The profile of the CO bandhead indicates that the CO gas has a temperature of 2500 K and is located in the inner edge of the disk or in the outer parts of funnel flows. The atomic metals are probably colocated with the CO. Some metallic lines are fluorescently excited, suggesting direct exposure to ultraviolet photons. The Brackett series indicates emission from hot (10,000 K) and optically thin gas. The hydrogen lines display a strong spectro-astrometric signal, suggesting that the hydrogen emission is probably not coming from an equatorial boundary layer; a funnel flow or disk wind origin is more likely. This picture is broadly consistent with the standard magnetospheric accretion model usually assumed for normally accreting T Tauri stars. Our results also set constraints on the eruption mechanism, supporting a model where material piles up around the corotation radius and episodically falls onto the star.

  17. Challenging near infrared spectroscopy discriminating ability for counterfeit pharmaceuticals detection.

    PubMed

    Storme-Paris, I; Rebiere, H; Matoga, M; Civade, C; Bonnet, P-A; Tissier, M H; Chaminade, P

    2010-01-25

    This study was initiated by the laboratories and control department of the French Health Products Safety Agency (AFSSAPS) as part of the fight against the public health problem of rising counterfeit and imitation medicines. To test the discriminating ability of Near InfraRed Spectroscopy (NIRS), worse cases scenarios were first considered for the discrimination of various pharmaceutical final products containing the same Active Pharmaceutical Ingredient (API) with different excipients, such as generics of proprietary medicinal products (PMP). Two generic databases were explored: low active strength hard capsules of Fluoxetine and high strength tablets of Ciprofloxacin. Then 4 other cases involving suspicious samples, counterfeits and imitations products were treated. In all these cases, spectral differences between samples were studied, giving access to API or excipient contents information, and eventually allowing manufacturing site identification. A chemometric background is developed to explain the optimisation methodology, consisting in the choices of appropriate pretreatments, algorithms for data exploratory analyses (unsupervised Principal Component Analysis), and data classification (supervised cluster analysis, and Soft Independent Modelling of Class Analogy). Results demonstrate the high performance of NIRS, highlighting slight differences in formulations, such as 2.5% (w/w) in API strength, 1.0% (w/w) in excipient and even coating variations (<1%, w/w) with identical contents, approaching the theoretical limits of NIRS sensitivity. All the different generic formulations were correctly discriminated and foreign PMP, constituted of formulations slightly different from the calibration ones, were also all discriminated. This publication addresses the ability of NIRS to detect counterfeits and imitations and presents the NIRS as an ideal tool to master the global threat of counterfeit drugs. PMID:20103090

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

    PubMed

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

    2015-08-01

    Near-infrared Spectroscopy (NIRS) is a broadly utilized technology with many emerging applications including clinical diagnostics, sports medicine, and functional neuroimaging, to name a few. For functional brain imaging NIR light is delivered at multiple wavelengths through the scalp and skull to the brain to enable spatial oximetry measurements. Dynamic changes in brain oxygenation are highly correlated with neural stimulation, activation, and function. Unfortunately, NIRS is currently limited by its low spatial resolution, shallow penetration depth, and, perhaps most importantly, signal corruption due to light interactions with superficial non-target tissues such as scalp and skull. In response to these issues, we have combined the non-invasive and rapidly reversible method of mechanical tissue optical clearing (MOC) with a commercially available NIRS system. MOC utilizes a compressive loading force on tissue, causing the lateral displacement of blood and water, while simultaneously thinning the tissue. A MOC-NIRS Breath Hold Test displayed a ∼3.5-fold decrease in the time-averaged standard deviation between channels, consequentially promoting greater channel agreement. A Skin Pinch Test was implemented to negate brain and muscle activity from affecting the recorded signal. These results displayed a 2.5-3.0 fold increase in raw signal amplitude. Existing NIRS instrumentation has been further integrated within a custom helmet device to provide a uniform force distribution across the NIRS sensor array. These results showed a gradual decrease in time-averaged standard deviation among channels with an increase in applied pressure. Through these experiments, and the development of the MOC-NIRS helmet device, MOC appears to provide enhancement of NIRS technology beyond its current limitations. PMID:26041069

  19. Near infrared spectroscopy monitoring in the pediatric cardiac catheterization laboratory.

    PubMed

    Tanidir, Ibrahim Cansaran; Ozturk, Erkut; Ozyilmaz, Isa; Saygi, Murat; Kiplapinar, Neslihan; Haydin, Sertac; Guzeltas, Alper; Odemis, Ender

    2014-10-01

    Near-infrared spectroscopy (NIRS) is a noninvasive method used to evaluate tissue oxygenation. We evaluated the relationship between cerebral and renal NIRS parameters during transcatheter intervention and adverse events in the catheterization room. Between January 1 and May 31, 2012, 123 of 163 pediatric patients undergoing cardiac catheterization were followed by NIRS. All were monitored by electrocardiography, noninvasive blood pressure measurement, pulse oxymetry, initial and final blood lactate level measurement. The number of interventional procedures was 73 (59%). During the procedures, 39 patients experienced a total of 41 adverse events: 18 (19.5%) had desaturation, 10 (8.1%) arrhythmia, three (2.4%) had respiratory difficulty, six (4.8%) had a situation calling for cardiopulmonary resuscitation, three (2.4%) had anemia necessitating transfusion, and one (0.8%) had a cyanotic spell. Cranial NIRS values worsened in 12 (9.8%) and renal measurements worsened in 13 (12.5%) patients. The sensitivity and specificity of a 9% impairment of cranial values were 90 and 61%, respectively, while the corresponding calculations for a 21% fall in renal measurements were 54% sensitivity and 90% specificity. When arrhythmia developed, NIRS values fell simultaneously, while the development of a desaturation problem was heralded by NIRS falling 10-15 s earlier than changes in pulse oxymetry; on improving saturation, NIRS returned to earlier values 10-15 s before pulse oxymetry readings. NIRS monitoring may provide an early warning with regard to complications likely to develop during a procedure. A fall of 9% in cranial NIRS values, or of 21% in renal measurements, should raise clinician awareness. PMID:24404951

  20. [Determination of adulteration in honey using near-infrared spectroscopy].

    PubMed

    Chen, Lan-Zhen; Zhao, Jing; Ye, Zhi-Hua; Zhong, Yan-Ping

    2008-11-01

    The objective of the present research is to study the potential of using Fourier transform near-infrared spectroscopy (FT-NIR) in conjunction with discriminant partial least squares (DPLS) chemometric techniques for the discrimination of honey authenticity. First, seventy one commercial honey samples from Chinese market were analyzed to detect the levels of honey adulteration by stable carbon isotope ratio and the chemical result showed that the samples include unadulterated (n = 27) and adulterated (n = 44) products. The samples were scanned in the spectral region between 4 000 and 11 000 cm(-1) by FT-NIR spectrometer with an optic fiber of 2 mm path-length and an InGaAs detector and then divided randomly five times into two sets, namely calibration sets and validation sets, respectively. Five kinds of mathematic models of honey samples were established for classification of honeys as authentic or adulterated by using DPLS. Different spectra pretreatment methods, spectral range and different principal component factors were selected to optimize the calibration models. The calibration models were successfully validated with exterior cross-validation methods. Through comparison analysis of the results, the overall corrected identification rate of authentic and adulterated honey samples in five calibration models were 91.49%, 94.68%, 92.98%, 93.86% and 94.87%, respectively. The correct classification rate of the validation samples was 93.75%, 89.58%, 89.29%, 92.31% and 86.96% from model one to model five, respectively and 100% of adulterated honey samples were correctly identified and classified in validation models 2, 3 and 4. The results demonstrated that FT-NIR together with DPLS could be used as a rapid and cost-efficient screening tool for discrimination of commercial honey adulteration, and the analytical technique would be significant to Chinese honey quality supervision. PMID:19271491

  1. A study of infrared spectroscopy de-noising based on LMS adaptive filter

    NASA Astrophysics Data System (ADS)

    Mo, Jia-qing; Lv, Xiao-yi; Yu, Xiao

    2015-12-01

    Infrared spectroscopy has been widely used, but which often contains a lot of noise, so the spectral characteristic of the sample is seriously affected. Therefore the de-noising is very important in the spectrum analysis and processing. In the study of infrared spectroscopy, the least mean square (LMS) adaptive filter was applied in the field firstly. LMS adaptive filter algorithm can reserve the detail and envelope of the effective signal when the method was applied to infrared spectroscopy of breast cancer which signal-to-noise ratio (SNR) is lower than 10 dB, contrast and analysis the result with result of wavelet transform and ensemble empirical mode decomposition (EEMD). The three evaluation standards (SNR, root mean square error (RMSE) and the correlation coefficient (ρ)) fully proved de-noising advantages of LMS adaptive filter in infrared spectroscopy of breast cancer.

  2. 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

  3. 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

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  5. Fourier-Transform Infrared Spectroscopy Analysis of Modified Cotton Trash Extracts

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In a previous study, Fourier transform infrared spectroscopy (FTIR) was utilized in identifying different types of botanical cotton trash as each was subjected to simulations of ginning and textile processing. Changes in the infrared spectra that occurred after heat treatment indicated that the nee...

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

    NASA Astrophysics Data System (ADS)

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

    2010-06-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

  8. Discrimination of different genuine Danshen and their extracts by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, Xin-hu; Xu, Chang-hua; Sun, Su-qin; Huang, Jian; Zhang, Ke; Li, Guo-yu; Zhu, Yun; Zhou, Qun; Zhang, Zhi-cheng; Wang, Jin-hui

    2012-11-01

    In this study, six varieties of Danshen from different populations and genuine ("Daodi" in Chinese transliteration) regions were discriminated and identified by a three-step infrared spectroscopy method (Fourier transform-infrared spectroscopy (FT-IR) coupled with second derivative infrared spectroscopy (SD-IR) and two dimensional correlation infrared spectroscopy (2D-IR)). Though only small differences were found among the FT-IR spectra of the six Danshen samples, the positions and intensities of peaks at 3393, 3371, 1613, 1050, and 1036 cm-1 could be considered as the key factors to discriminate them. More significant differences were exhibited in their SD-IR, particularly for the peaks around 1080, 1144, 695, 665, 800, 1610, 1510, 1450, 1117 and 1077 cm-1. The visual 2D-IR spectra provided dynamic chemical structure information of the six Danshen samples with presenting different particular auto-peak clusters, respectively. Moreover, the contents of salvianolic acid B in all samples were measured quantitatively by a validated ultra performance liquid chromatography (UPLC), which was consistent with the FT-IR findings. This study provides a promising method for characteristics and quality control of the complicated and extremely similar herbal medicine like Danshen, which is more cost effective and time saving.

  9. Using Visible/Near-Infrared Spectroscopy to Identify Cryptotephra Layers

    NASA Astrophysics Data System (ADS)

    McCanta, M. C.; Thomson, B. J.; Fisher, E.

    2014-12-01

    Continually accumulating marine sediments incorporate tephra layers within their depositional record that can be linked to individual explosive volcanic events. These layers can range from several meters in thickness, to discrete layers invisible to the naked eye (cryptotephra). Identification of cryptotephra layers is paramount for complete characterization of the eruptive record of a volcanic center, not just the largest eruptive events. However, cryptotephra recognition is hampered by their small volume in most drill cores. A non-destructive method to distinguish tephra layers, particularly those of a high silica nature which may not be readily detectable with magnetic methods, is visible/near-infrared (Vis/NIR) spectroscopy. The Vis/NIR region of the light spectrum contains strong absorption features due to charge-transfer absorptions in transition metals (dominated by iron) and vibration and overtone bands due to hydroxyl and water (including near 1.4 μm, 1.9 μm, and 2.2-2.5 μm). The exact position and nature of these bands provide a means to identify various carbonate-, hydroxyl-, iron-, phyllosilicate-, sulfate-, and water-bearing minerals (e.g., Pieters and Englert, 1993). We produced a series of mixtures of hemipelagic sediment and tephra which were used to identify band positions and features which strongly correlate with the presence of tephra (see figure). The addition of ~15-20 wt.% tephra to a sediment results in recognizable spectral changes. The mixture data was used to create a MATLAB program to run unknown sample analyses through. We then used an ASD FieldSpec to collect Vis/NIR data (0.39-2.5 μm) on the upper 10 m of core collected during IODP 340 (U1396C) off the coast of Montserrat at 0.5 cm resolution and applied our tephra recognition program to this data. We identified 29 potential cryptotephra layers in the 10 m analyzed. Dissolution techniques are being completed to corroborate the spectral data.

  10. Terahertz and Infrared Laboratory Spectroscopy in Support of NASA Missions

    NASA Astrophysics Data System (ADS)

    Yu, Shanshan

    2015-06-01

    The JPL molecular spectroscopy group supports NASA programs encompassing Astrophysics, Atmospheric Science, and Planetary Science. Ongoing activities include measurement and analysis of molecular spectra in the terahertz and infrared regions under conditions akin to the remote environments under study in NASA missions. This presentation will show the implementation of state-of-the-art spectroscopic techniques to fulfill spectroscopic demands of the Herschel Space Observatory and the Orbiting Carbon Observatory re-flight (OCO-2). A demonstrative example of the significantly improved frequency predictions for the H_3O^+ ground state high-J transitions will be given. This work was critical to Herschel's successful identification of highly excited metastable H_3O^+ Terahertz lines with J=K up to 11, one of the Herschel mission's many surprising observational results. The observation and subsequent laboratory work revealed that (1) these highly excited H_3O^+ lines had already been observed by European Southern Observatory's Atacama Pathfinder Experiment telescope a few years before but had been classified as U-lines; (2) the H_3O^+ number density was previously underestimated by an order of magnitude, due to ignorance of the population in the metastable states. A second example focuses on O_2, an important absorber from the microwave through the deep UV. This work is motivated by the challenge of developing an accurate and complete spectroscopic characterization of molecular oxygen across a wide frequency range for current and planned Earth atmospheric observations. Especially, OCO-2 utilizes the O_2 A-band for air mass calibration; extremely accurate O_2 molecular data, i.e., line positions with uncertainty on the order of MHz for the A-band around 13000 wn, are required to fulfill the demand of the proposed 0.25% precision for the carbon dioxide concentration retrievals. G. Pilbratt, J. Riedinger, T. Passvogel, G. Crone, D. Doyle, U. Gageur et al. A&A, 518, L1 (2010

  11. Determination of plant silicon content with near infrared reflectance spectroscopy

    PubMed Central

    Smis, Adriaan; Ancin Murguzur, Francisco Javier; Struyf, Eric; Soininen, Eeva M.; Herranz Jusdado, Juan G.; Meire, Patrick; Bråthen, Kari Anne

    2014-01-01

    Silicon (Si) is one of the most common elements in the earth bedrock, and its continental cycle is strongly biologically controlled. Yet, research on the biogeochemical cycle of Si in ecosystems is hampered by the time and cost associated with the currently used chemical analysis methods. Here, we assessed the suitability of Near Infrared Reflectance Spectroscopy (NIRS) for measuring Si content in plant tissues. NIR spectra depend on the characteristics of the present bonds between H and N, C and O, which can be calibrated against concentrations of various compounds. Because Si in plants always occurs as hydrated condensates of orthosilicic acid (Si(OH)4), linked to organic biomolecules, we hypothesized that NIRS is suitable for measuring Si content in plants across a range of plant species. We based our testing on 442 samples of 29 plant species belonging to a range of growth forms. We calibrated the NIRS method against a well-established plant Si analysis method by using partial least-squares regression. Si concentrations ranged from detection limit (0.24 ppmSi) to 7.8% Si on dry weight and were well predicted by NIRS. The model fit with validation data was good across all plant species (n = 141, R2 = 0.90, RMSEP = 0.24), but improved when only graminoids were modeled (n = 66, R2 = 0.95, RMSEP = 0.10). A species specific model for the grass Deschampsia cespitosa showed even slightly better results than the model for all graminoids (n = 16, R2 = 0.93, RMSEP = 0.015). We show for the first time that NIRS is applicable for determining plant Si concentration across a range of plant species and growth forms, and represents a time- and cost-effective alternative to the chemical Si analysis methods. As NIRS can be applied concurrently to a range of plant organic constituents, it opens up unprecedented research possibilities for studying interrelations between Si and other plant compounds in vegetation, and for addressing the role of Si in ecosystems across a range of Si

  12. Recent advances in the use of non-destructive near infrared spectroscopy on intact olive fruits

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The objective of this review is to illustrate the state of the art in the use of non-destructive near infrared (NIR) spectroscopy for quality evaluation of intact fruit in the olive industry. First, the most recent studies regarding the application of non-destructive NIR spectroscopy methods to asse...

  13. An Inorganic Laboratory Experiment Involving Photochemistry, Liquid Chromatography, and Infrared Spectroscopy.

    ERIC Educational Resources Information Center

    Post, Elroy W.

    1980-01-01

    Presents an experiment involving photochemical legand displacement on a metal carbonyl, separation of the product mixture by chromotography, and identification of the components by use of infrared spectroscopy and group theory. The chromatography and spectroscopy are combined as complementary tools in this experiment. (Author/JN)

  14. The infrared fingerprint signals of silica nanoparticles and its application in immunoassay

    NASA Astrophysics Data System (ADS)

    Ding, Yadan; Chu, Xueying; Hong, Xia; Zou, Peng; Liu, Yichun

    2012-01-01

    Infrared absorption properties of silica nanoparticles were studied. The transverse optical and the longitudinal optical phonon modes from the silica were proved to be the characteristic spectroscopic fingerprint signals. Based on this, a sandwich-structured immunoassay was performed, and the detection of the analyte (human IgG) was achieved by using biofunctional silica nanoparticles as infrared probes. The immunoassay based on Fourier transform infrared reflection absorption spectroscopy of silica nanoparticles shows significant value for potential applications in many areas, such as biomedicine, food safety, and waste treatment.

  15. Mid-infrared optical parametric oscillators and frequency combs for molecular spectroscopy.

    PubMed

    Vainio, M; Halonen, L

    2016-02-14

    Nonlinear optical frequency conversion is one of the most versatile methods to generate wavelength-tunable laser light in the mid-infrared region. This spectral region is particularly important for trace gas detection and other applications of molecular spectroscopy, because it accommodates the fundamental vibrational bands of several interesting molecules. In this article, we review the progress of the most significant nonlinear optics instruments for widely tunable, high-resolution mid-infrared spectroscopy: continuous-wave optical parametric oscillators and difference frequency generators. We extend our discussion to mid-infrared optical frequency combs, which are becoming increasingly important spectroscopic tools, owing to their capability of highly sensitive and selective parallel detection of several molecular species. To illustrate the potential and limitations of mid-infrared sources based on nonlinear optics, we also review typical uses of these instruments in both applied and fundamental spectroscopy. PMID:26804321

  16. Water Structure Studied by Far Infrared Spectroscopy in FTIR Beam Line of MIRRORCLE 20

    SciTech Connect

    Miura, Nobuhiro; Moon, Ahsa; Kitagawa, Toshimichi; Yamada, Hironari

    2007-03-30

    Far infrared vibrational Spectroscopy for distilled water was performed by Fourier Transform Infrared Spectroscopy (FT-IR) in the FTIR beam line of MIRRORCLE 20. Synchrotron radiation was utilized as a light source for the absorption Spectroscopy in the frequency range from 100cm-1 to 20cm-1. Off-line measurements by black body radiation of ceramic heater were also examined in the range from 400cm-1 to 50cm-1. Wide range spectrum was obtained after the SR data merged the off-line data. We report the recent development in the beam line and the examples of spectra related to the water structure.

  17. Water Structure Studied by Far Infrared Spectroscopy in FTIR Beam Line of MIRRORCLE 20

    NASA Astrophysics Data System (ADS)

    Miura, Nobuhiro; Moon, Ahsa; Yamada, Hironari; Kitagawa, Toshimichi

    2007-03-01

    Far infrared vibrational Spectroscopy for distilled water was performed by Fourier Transform Infrared Spectroscopy (FT-IR) in the FTIR beam line of MIRRORCLE 20. Synchrotron radiation was utilized as a light source for the absorption Spectroscopy in the frequency range from 100cm-1 to 20cm-1. Off-line measurements by black body radiation of ceramic heater were also examined in the range from 400cm-1 to 50cm-1. Wide range spectrum was obtained after the SR data merged the off-line data. We report the recent development in the beam line and the examples of spectra related to the water structure.

  18. Studies of Arctic Middle Atmosphere Chemistry using Infrared Absorption Spectroscopy

    NASA Astrophysics Data System (ADS)

    Lindenmaier, Rodica

    The objective of this Ph.D. project is to investigate Arctic middle atmosphere chemistry using solar infrared absorption spectroscopy. These measurements were made at the Polar Environment Atmospheric Research Laboratory (PEARL) at Eureka, Nunavut, which is operated by the Canadian Network for the Detection of Atmospheric Change (CANDAC). This research is part of the CANDAC/PEARL Arctic Middle Atmosphere Chemistry theme and aims to improve our understanding of the processes controlling the stratospheric ozone budget using measurements of the concentrations of stratospheric constituents. The instrument, a Bruker IFS 125HR Fourier transform infrared (FTIR) spectrometer, has been specifically designed for high-resolution measurements over a broad spectral range and has been used to measure reactive species, source gases, reservoirs, and dynamical tracers at PEARL since August 2006. The first part of this research focuses on the optimization of ozone retrievals, for which 22 microwindows were studied and compared. The spectral region from 1000 to 1005 cm-1 was found to be the most sensitive in both the stratosphere and troposphere, giving the highest number of independent pieces of information and the smallest total error for retrievals at Eureka. Similar studies were performed in coordination with the Network for the Detection of Atmospheric Composition Change for nine other species, with the goal of improving and harmonizing the retrieval parameters among all Infrared Working Group sites. Previous satellite validation exercises have identified the highly variable polar conditions of the spring period to be a challenge. In this work, comparisons between the 125HR and ACE-FTS (Atmospheric Chemistry Experiment-Fourier transform spectrometer) from 2007 to 2010 have been used to develop strict criteria that allow the ground and satellite-based instruments to be confidently compared. After applying these criteria, the differences between the two instruments were generally

  19. Protein Dynamics and Conformational Heterogeneity Characterized with Two-Dimensional Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Thielges, Megan; Basom, Edward; Spearman, James

    2014-06-01

    Conformational heterogeneity and dynamics impact protein function, but their investigation is limited by the availability of methods for characterizing rapidly fluctuating protein states with both high spatial and temporal resolution. Multidimensional infrared spectroscopy is emerging as a powerful technique that directly probes the structural dynamics on fast timescales. To overcome the spectral congestion inherent to protein spectra that restricts application of infrared spectroscopy to protein systems, we incorporate into proteins vibrational probes with spectrally isolated frequencies and local-mode character that make possible rigorous analysis of protein environments and dynamics with infrared spectroscopy. In particular, both heme-bound carbon monoxide and nitriles selectively incorporated as unnatural amino acids are used as probes of cytochrome P450. 2D IR spectroscopy is used to investigate the impact of protein dynamics and conformational heterogeneity on the selectivity of its catalytic activity. Comparative studies of mutants of cytochrome P450 are used to unravel the contribution of specific residues to the protein's dynamics.

  20. A Student Operated Animated Infrared Spectroscopy Teaching Model

    ERIC Educational Resources Information Center

    Hartman, Karel

    1976-01-01

    Describes a teaching model that consists of a plywood box containing mechanisms that instruct the student about the technical aspects of an infrared spectrophotometer and how a spectrum is generated. (MLH)

  1. Far-infrared spectroscopy of neutral interstellar clouds

    NASA Technical Reports Server (NTRS)

    Watson, D. M.

    1984-01-01

    A summary is presented of airborne observations of the far-infrared fine structure lines of neutral atomic oxygen and singly-ionized carbon, and of the far-infrared rotational lines of CO, OH, NH3 and HD, together with a brief description of the analysis and interpretation of the spectra. The 'state of the art' in instrument performance and the prospects for improved sensitivity and resolution are also surveyed.

  2. Infrared Spectroscopy of Star Formation in Galactic and Extragalactic Regions

    NASA Technical Reports Server (NTRS)

    Frogel, Jay (Technical Monitor); Smith, Howard A.

    2004-01-01

    In this program we proposed to perform a series of spectroscopic studies, including data analysis and modeling, of star formation regions using an ensemble of archival space-based data from the Infrared Space Observatory's Long Wavelength Spectrometer and Short Wavelength Spectrometer, and to take advantage of other spectroscopic databases including the first results from SIRTF. Our empha- sis has been on star formation in external, bright IR galaxies, but other areas of research have in- cluded young, low or high mass pre-main sequence stars in star formation regions, and the galactic center. The OH lines in the far infrared were proposed as one key focus of this inquiry because the Principal Investigator (H. Smith) had a full set of OH IR lines from IS0 observations. It was planned that during the proposed 2-1/2 year timeframe of the proposal other data (including perhaps from SIRTF) would become available, and we intended to be responsive to these and other such spec- troscopic data sets. Three papers are included:The Infrared Lines of OH: Diagnostics of Molecular Cloud Conditions in Infrared Bright Galaxies; The Far-Infrared Spectrum of Arp 220; andThe Far-Infrared Emission Line and Continuum Spectrum of the Seyfert Galaxy NGC 1068.

  3. Comparison of Diffuse Reflectance Fourier Transform Mid-Infrared and Near-Infrared Spectroscopy with Grating-Based Near-Infrared for the Determination of Fatty Acids in Forages

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Diffuse reflectance Fourier transform mid-infrared (FTMIR) and near infrared spectroscopy (FTNIR) were compared to scanning monochromator-grating-based near infrared spectroscopy (SMNIR), for their ability to quantify fatty acids (FA) in forages. Thirteen different forage cultivars belonging to 11 d...

  4. Near infrared spectroscopy--investigations in neurovascular diseases.

    PubMed

    Schytz, Henrik Winther

    2015-12-01

    The purpose of this thesis was to explore and develop methods, where continuous wave near infrared spectroscopy (CW-NIRS) can be applied in different neurovascular diseases, in order to find biological markers that are useful in clinical neurology. To develop a new method to detect changes in cerebral blood flow (CBF), the first study investigated a multi-source detector separation configuration and indocyanine green (ICG) as a tracer to calculate a corrected blood flow index (BFI) value. The study showed no correlation between CBF changes measured by 133Xenon single photon emission computer tomography (133Xe-SPECT) and the corrected BFI value. It was concluded, that it was not possible to obtain reliable BFI data with the ICG CW-NIRS method. NIRS measurements of low frequency oscillations (LFOs) may be a reliable method to investigate vascular alterations in neurovascular diseases, but this requires an acceptable LFOs variation between hemispheres and over time in the healthy brain. The second study therefore investigated day-to-day and hemispheric variations in LFOs with NIRS. It was shown that NIRS might be useful in assessing LFOs between hemispheres, as well as interhemispheric phase and gain directly and over time. Migraine may be associated with persistent impairment of neurovascular coupling, but there is no experimental evidence to support this. The third study therefore investigated interictal neurovascular coupling during a mental task by a Stroop test in migraine without aura (MO) patients, which is the most common type of migraine. The study showed intact neurovascular coupling in the prefrontal cortex outside of attacks in patients with MO. The fourth study aimed to investigate possible changes in LFOs amplitude following nitric oxide (NO) donor infusion in familial hemiplegic migraine (FHM), which is a rare Mendelian subtype of migraine with aura. This study showed increased LFOs amplitude only in FHM patients with co-existing common type of migraine

  5. AKARI IRC INFRARED 2.5-5 {mu}m SPECTROSCOPY OF A LARGE SAMPLE OF LUMINOUS INFRARED GALAXIES

    SciTech Connect

    Imanishi, Masatoshi; Nakagawa, Takao; Shirahata, Mai; Ohyama, Yoichi; Onaka, Takashi

    2010-10-01

    We present the results of our systematic infrared 2.5-5 {mu}m spectroscopy of 60 luminous infrared galaxies (LIRGs) with infrared luminosities L{sub IR} = 10{sup 11}-10{sup 12} L{sub sun} and 54 ultraluminous infrared galaxies (ULIRGs) with L{sub IR} {>=} 10{sup 12} L{sub sun}, using the AKARI Infrared Camera (IRC). AKARI IRC slit-less spectroscopy allows us to probe the full range of emission from these galaxies, including spatially extended components. The 3.3 {mu}m polycyclic aromatic hydrocarbon (PAH) emission features, hydrogen recombination emission lines, and various absorption features are detected and used to investigate the properties of these galaxies. Because of the relatively small effect of dust extinction in the infrared range, quantitative discussion of these dusty galaxy populations is possible. For sources with clearly detectable Br{beta} (2.63 {mu}m) and Br{alpha} (4.05 {mu}m) emission lines, the flux ratios are found to be similar to those predicted by case B theory. Starburst luminosities are estimated from both 3.3 {mu}m PAH and Br{alpha} emission, which roughly agree with each other. In addition to the detected starburst activity, a significant fraction of the observed sources display signatures of obscured active galactic nuclei (AGNs), such as low PAH equivalent widths, large optical depths of dust absorption features, and red continuum emission. The energetic importance of optically elusive buried AGNs in optically non-Seyfert galaxies tends to increase with increasing galaxy infrared luminosity, from LIRGs to ULIRGs.

  6. Absorption spectroscopy in hollow-glass waveguides using infrared laser diodes

    SciTech Connect

    Blake, Thomas A.; Kelly, James F.; Stewart, Timothy L.; Hartman, John S.; Sharpe, Steven W.; Sams, Robert L.

    2002-07-10

    Hollow-glass waveguides may be a viable technology that, in some cases, may supplant heavier multi-pass cells such as White or Herriott cells for performing trace detection using tunable diode laser absorption spectroscopy. We report here a series of experiments for testing the suitability of waveguides for infrared spectroscopy. The loss characteristics of 1 mm bore diameter waveguides have been measured for straight and coiled lengths. Using direct absorption spectroscopy we have found that the absorption pathlength is approximately equal to the physical length of the waveguide. Broadband FM diode laser spectroscopy produces a comparable signal-to-noise ratio with less than a second of signal averaging. Finally, we have also performed near-infrared spectroscopy of nitrous oxide flowing through a waveguide using a telecommunications diode laser.

  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 Spectroscopy of Star Formation in Galactic and Extragalactic Regions

    NASA Technical Reports Server (NTRS)

    Smith, Howard A.; Hasan, Hashima (Technical Monitor)

    2002-01-01

    This report details work done in a project involving spectroscopic studies, including data analysis and modeling, of star-formation regions using an ensemble of archival space-based data including some from the Infrared Space Observatory's Long Wavelength Spectrometer and Short Wavelength Spectrometer, and other spectroscopic databases. We will include four kinds of regions: (1) disks around more evolved objects; (2) young, low or high mass pre-main sequence stars in star-formation regions; (3) star formation in external, bright IR (infrared) galaxies; and (4) the galactic center. During this period, work proceeded fully on track and on time. Details on workshops and conferences attended and research results are presented. A preprint article entitled 'The Far Infrared Lines of OH as Molecular Cloud Diagnostics' is included as an appendix.

  9. Infrared spectroscopy of organics of planetological interest at low temperatures.

    PubMed

    Khanna, R K

    1995-01-01

    In the context of prebiotic chemistry in space, some of the outer planetary objects display H, C, N and O rich chemistry similar to the one in the biosphere of Earth. Of particular interest are Saturn's moon, Titan; Neptune's moon, Triton; and Pluto where extreme cold conditions prevail. Identifications of chemical species on these objects (surfaces and atmospheres) is essential to a better understanding of the radiation induced chemical reactions occurring thereon. There have been several ground based observations of these planetary objects in the infrared windows from 1 to 2.5 micrometers. Voyager also provided spectra in the thermal infrared (6 to 50 micrometers) region. Interpretation of these data require laboratory infrared spectra of relevant species under the temperature conditions appropriate to these objects. The results of some of these studies carried out in our laboratory and elsewhere and their impact on the analyses of the observed data will be summarized. PMID:11543529

  10. Atomic force microscope infrared spectroscopy of griseofulvin nanocrystals

    PubMed Central

    Harrison, A. J.; Bilgili, E. A.; Beaudoin, S. P.

    2013-01-01

    The goal of this work was to evaluate the ability of photothermal induced resonance (PTIR) to measure the local infrared absorption spectra of crystalline organic drug nanoparticles embedded within solid matrices. Herein, the first reports of the chemical characterization of sub-100 nm organic crystals are described; infrared spectra of 90 nm griseofulvin particles were obtained, confirming the chemical resolution of PTIR beyond the diffraction limit. Additionally, particle size distributions via dynamic light scattering and PTIR image analysis were found to be similar, suggesting that the PTIR measurements are not significantly affected by inhomogeneous infrared absorptivity of this system. Thus as medical applications increasingly emphasize localized drug delivery via micro/nano-engineered structures, PTIR can be used to unambiguously chemically characterize drug formulations at these length scales. PMID:24171582

  11. Infrared spectroscopy of interplanetary dust in the laboratory

    NASA Technical Reports Server (NTRS)

    Fraundorf, P.; Patel, R. I.; Freeman, J. J.

    1981-01-01

    A mount containing three crushed chondritic interplanetary dust particles (IDPs) collected in the earth's stratosphere and subjected to infrared spectroscopic measurements shows features near 1000 and 500/cm, suggesting crystalline pyroxene rather than crystalline olivine, amorphous olivine, or meteoritic clay minerals. Chondritic IDP structural diversity and atmospheric heating effects must be considered when comparing this spectrum with interplanetary and cometary dust astrophysical spectra. TEM and infrared observations of one member of the rare subset of IDPs resembling hydrated carbonaceous chondrite matrix material shows a close infrared spectrum resemblance between 4000 and 400/cm to the C2 meteorite Murchison. TEM observations suggest that this class of particles may be used as an atmospheric entry heating-process thermometer.

  12. Atomic force microscope infrared spectroscopy of griseofulvin nanocrystals.

    PubMed

    Harrison, Aaron J; Bilgili, Ecevit A; Beaudoin, Stephen P; Taylor, Lynne S

    2013-12-01

    The goal of this work was to evaluate the ability of photothermal-induced resonance (PTIR) to measure the local infrared absorption spectra of crystalline organic drug nanoparticles embedded within solid matrices. Herein, the first reports of the chemical characterization of sub-100 nm organic crystals are described; infrared spectra of 90 nm griseofulvin particles were obtained, confirming the chemical resolution of PTIR beyond the diffraction limit. Additionally, particle size distributions via dynamic light scattering and PTIR image analysis were found to be similar, suggesting that the PTIR measurements are not significantly affected by inhomogeneous infrared absorptivity of this system. Thus as medical applications increasingly emphasize localized drug delivery via micro/nanoengineered structures, PTIR can be used to unambiguously chemically characterize drug formulations at these length scales. PMID:24171582

  13. Raman and infrared spectroscopy of organic electronic devices

    NASA Astrophysics Data System (ADS)

    Furukawa, Y.

    2010-09-01

    We present Raman and infrared studies on the structures of organic semiconductor thin films used for electronic devices. The Raman spectra of crystalline and amorphous states of an organic semiconductor, N,N'-di-1-naphthaleyl-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine (NPD), were measured. These states give rise to slightly different peak positions and widths of each Raman band. Raman images were observed for polycrystalline pentacene films evaporated on a silicon substrate. The structural defects were found in the images of the intensity ratio I1596/I1533, which reflects the orientation of molecules i.e., crystalline domains. Photoinduced infrared absorption from the composite of regioregular poly(3-dodecylthiphene) and C60 was measured by the difference FT-IR method. The observed absorption is attributable to photogenerated carriers. The action spectra of photoinduced infrared absorption are explained by electron transfer from photogenerated excited states on a polymer chain to C60.

  14. Infrared spectroscopy of interplanetary dust in the laboratory

    NASA Astrophysics Data System (ADS)

    Fraundorf, P.; Patel, R. I.; Freeman, J. J.

    1981-09-01

    A mount containing three crushed chondritic interplanetary dust particles (IDPs) collected in the earth's stratosphere and subjected to infrared spectroscopic measurements shows features near 1000 and 500/cm, suggesting crystalline pyroxene rather than crystalline olivine, amorphous olivine, or meteoritic clay minerals. Chondritic IDP structural diversity and atmospheric heating effects must be considered when comparing this spectrum with interplanetary and cometary dust astrophysical spectra. TEM and infrared observations of one member of the rare subset of IDPs resembling hydrated carbonaceous chondrite matrix material shows a close infrared spectrum resemblance between 4000 and 400/cm to the C2 meteorite Murchison. TEM observations suggest that this class of particles may be used as an atmospheric entry heating-process thermometer.

  15. High pressure far infrared spectroscopy of ionic solids

    NASA Technical Reports Server (NTRS)

    Lowndes, R. P.

    1974-01-01

    A high-pressure far-infrared cell operating at up to truly hydrostatic pressures of 8 kbar is described and used to determine the anharmonic self-energies associated with the transverse optic modes of ionic solids in which q approximately equals zero. The cell allows far-infrared studies in the spectral range below 120 reciprocal cm. The transverse optic modes were investigated to determine their mode Gruneisen constants and the pressure dependence of their inverse lifetimes in RbI, CsI, and TlCl.

  16. Identification of anisodamine tablets by Raman and near-infrared spectroscopy with chemometrics

    NASA Astrophysics Data System (ADS)

    Li, Lian; Zang, Hengchang; Li, Jun; Chen, Dejun; Li, Tao; Wang, Fengshan

    2014-06-01

    Vibrational spectroscopy including Raman and near-infrared (NIR) spectroscopy has become an attractive tool for pharmaceutical analysis. In this study, effective calibration models for the identification of anisodamine tablet and its counterfeit and the distinguishment of manufacturing plants, based on Raman and NIR spectroscopy, were built, respectively. Anisodamine counterfeit tablets were identified by Raman spectroscopy with correlation coefficient method, and the results showed that the predictive accuracy was 100%. The genuine anisodamine tablets from 5 different manufacturing plants were distinguished by NIR spectroscopy using partial least squares discriminant analysis (PLS-DA) models based on interval principal component analysis (iPCA) method. And the results showed the recognition rate and rejection rate were 100% respectively. In conclusion, Raman spectroscopy and NIR spectroscopy combined with chemometrics are feasible and potential tools for rapid pharmaceutical tablet discrimination.

  17. International Halley Watch: Discipline specialists for infrared spectroscopy and radiometry

    NASA Technical Reports Server (NTRS)

    Knacke, R. F.; Encrenaz, T.

    1986-01-01

    The Infrared Net has been active in all areas of comet science in its domain. The more than 100 members of the net and 30 participating observatories are still engaged in observations, and only a preliminary discussion of the highlights of the program is possible at this time.

  18. Near-Infrared Spectroscopy of Himalia An Irregular Jovian Satellite

    NASA Technical Reports Server (NTRS)

    Brown, R. H.; Baines, K.; Bellucci, G.; Bibring, J.-P.; Buratti, B.; Capaccioni, F.; Cerroni, P.; Clark, R.; Coradini, A.; Cruikshank, D.

    2002-01-01

    Spectra of the irregular Jovian satellite Himalia were obtained with the Visual and Infrared Mapping Spectrometer (VIMS) onboard Cassini during the Jupiter Flyby on December 18-19, 2000. These are the first spectral data of an irregular satellite beyond 2.5 microns. Additional information is contained in the original extended abstract.

  19. Cells and biofluids analyzed in aqueous environment by infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Naumann, D.; Lasch, P.; Fabian, H.

    2006-02-01

    Infrared transmission/absorption measurements of cells and biofluids in water are restricted to very short optical pathlengths. When the amide I and amide II bands of protein constituents have to be analysed, path-lengths of less than 8 μm are necessary. Infrared spectra of cancer cells were collected from physiological buffer solutions utilizing custom-made mid-infrared compatible IR-cuvettes. The technology permitted to obtain cell-type specific spectral signatures and probe biochemical changes induced by varying temperatures or cell-drug interaction. Optical path-lengths of 8-30 μm were used on a set of microbial test strains to evaluate, whether the methodology can also be used to discriminate and identify micro-organisms. A semi-automatic methodology was developed for the analysis of liquid serum samples, which combines simple sample handling with high sample throughput and extreme measurement reproducibility. The applicability of this infrared technology to the analysis of liquid serum samples from cattle and human beings suffering from various acute viral or bacterial infections was explored testing the interrelationship between α-helical and β-sheet specific spectral signatures in the amide I band contour and total albumin and globulin content in serum. The technical details, advantages, and limitations of the new technology are described in the context of developing a routine, IR-based biodiagnostic technique for biofluids and biological cells.

  20. Thermal Infrared Spectroscopy of Saturn and Titan from Cassini

    NASA Technical Reports Server (NTRS)

    Jennings, Donald E.; Brasunas, J. C.; Carlson, R. C.; Flasar, F. M.; Kunde, V. G.; Mamoutkine, A. A.; Nixon, A.; Pearl, J. C.; Romani, P. N.; Simon-Miller, A. A.; Bjoraker, G. L.

    2009-01-01

    The Cassini spacecraft completed its nominal mission at Saturn in 2008 and began its extended mission. Cassini carries the Composite Infrared Spectrometer (CIRS); a Fourier transform spectrometer that measures the composition, thermal structure and dynamics of the atmospheres of Saturn and Titan, and also the temperatures of other moons and the rings.

  1. Thermal Infrared Spectroscopy of Experimentally Shocked Anorthosite and Pyroxenite

    NASA Technical Reports Server (NTRS)

    Johnson, J. R.; Hoerz, F.; Christensen, P.; Lucey, P. G.

    2001-01-01

    We performed shock recovery experiments at JSC (17-63 GPa) on samples of Stillwater pyroxenite and anorthosite and acquired their thermal infrared spectra (3-50 micron) to investigate the degradation of spectral features at high pressures. Additional information is contained in the original extended abstract.

  2. Infrared spectroscopy of hydrogenated fullerenes (fulleranes) at extreme temperatures

    NASA Astrophysics Data System (ADS)

    Iglesias-Groth, Susana; García-Hernández, D. A.; Cataldo, Franco; Manchado, Arturo

    2012-07-01

    The infrared spectra, as well as the integrated molar absorptivity (Ψ) and the molar extinction coefficient (ɛ) of each infrared transition of the hydrogenated fullerenes (known as fulleranes) C60H36, C60H18 and C70H38, and a mixture of fulleranes generally referred to as 77 per cent of C60Hx and 22 per cent C70Hy with x≈y > 30, are presented and discussed. These data are useful for the search, identification and quantitative determination of fulleranes in space after the recent discovery that their parent molecules, C60 and C70, are more abundant in space than initially thought, being present in a variety of H-rich circumstellar environments such as planetary nebulae and only mild H-deficient R Coronae Borealis stars, and in the interstellar medium. It is shown that the C-H stretching band of the fulleranes C60H36, C60H18 and C70H38, and their mixture may be most useful for the identification of these molecules because their Ψ and ɛ values are unique in terms of strength, overcoming by far the typical Ψ and ɛ values of reference molecules such as adamantane and docosane, as well as typical ɛ literature data for aliphatic molecules. In contrast to the rather simple infrared spectra of C60H36 and C60H38, the infrared spectra of two C60H18 isomers are reported as characterized by a rich number of bands which may allow an easier identification than the higher homologues. The dependence of the infrared bands of fulleranes on temperature was studied over a wide range of temperatures (from -180°C to +250°C) and extrapolated to 0 K.

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

    PubMed

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

    2011-03-01

    As one of the most powerful tools to investigate the compositions of raw materials and the property of pulp and paper, infrared spectroscopy has played an important role in pulp and paper industry. However, the traditional transmission infrared spectroscopy has not met the requirements of the producing processes because of its disadvantages of time consuming and sample destruction. New technique would be needed to be found. Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR) is an advanced spectroscopic tool for nondestructive evaluation and could rapidly, accurately estimate the production properties of each process in pulp and paper industry. The present review describes the application of ATR-FTIR in analysis of pulp and paper industry. The analysis processes will include: pulping, papermaking, environmental protecting, special processing and paper identifying. PMID:21595211

  4. Combined autofluorescence and Raman spectroscopy method for skin tumor detection in visible and near infrared regions

    NASA Astrophysics Data System (ADS)

    Zakharov, V. P.; Bratchenko, I. A.; Artemyev, D. N.; Myakinin, O. O.; Khristoforova, Y. A.; Kozlov, S. V.; Moryatov, A. A.

    2015-07-01

    The combined application of Raman and autofluorescence spectroscopy in visible and near infrared regions for the analysis of malignant neoplasms of human skin was demonstrated. Ex vivo experiments were performed for 130 skin tissue samples: 28 malignant melanomas, 19 basal cell carcinomas, 15 benign tumors, 9 nevi and 59 normal tissues. Proposed method of Raman spectra analysis allows for malignant melanoma differentiating from other skin tissues with accuracy of 84% (sensitivity of 97%, specificity of 72%). Autofluorescence analysis in near infrared and visible regions helped us to increase the diagnostic accuracy by 5-10%. Registration of autofluorescence in near infrared region is realized in one optical unit with Raman spectroscopy. Thus, the proposed method of combined skin tissues study makes possible simultaneous large skin area study with autofluorescence spectra analysis and precise neoplasm type determination with Raman spectroscopy.

  5. [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. PMID:16395887

  6. Development of Kinetic Inductance Detectors for Far-Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Barlis, Alyssa; Aguirre, James E.; Stevenson, Thomas

    2016-01-01

    An instrument with high sensitivity and spectral resolution at far-infrared wavelengths could contribute significantly to several currently unanswered questions in astrophysics. Here, we describe a detector system suitable for a spectroscopic experiment at far-infrared wavelengths using kinetic inductance detectors (KIDs). KIDs have the potential to achieve high sensitivity and low noise levels. Specifically, the approach we take uses lumped-element KIDs, which consist of separate capacitive and inductive elements combined to form a microresonator. The inductive element serves as a direct radiation absorber. We describe the design considerations, fabrication process, and readout scheme for a prototype LEKID array of 1600 pixels, along with results from a prototype detector array.

  7. Dirac charge dynamics in graphene by infrared spectroscopy

    SciTech Connect

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

    2008-04-29

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

  8. Study of oral cavity lesions by infrared spectroscopy.

    PubMed

    Giorgini, E; Conti, C; Rocchetti, R; Rubini, C; Sabbatini, S; Librando, V; Tosi, G

    2016-01-01

    Fourier transform infrared (FTIR) microspectroscopy is considered a useful tool in the biomedical field, for analysing in situ and at cellular level, very small areas of tissues and cells, with minimal sample preparation and without the use of stains or probes. This spectroscopic technique has been successfully applied to analyse biological samples from patients affected by tumoral pathologies, with particular attention to oral cavity lesions. In this study, we describe the application of FTIR microspectroscopy to characterize and discriminate the most recurrent benign and malignant diseases of oral cavity compartment. Infrared maps were acquired on tissues affected by the following pathologies: squamous cell carcinoma, adenoid cystic carcinoma, polymorphous low-grade adenocarcinoma, squamous dysplasia, keratocystic odontogenic tumor, radicular cyst, residual cyst, unicystic ameloblastoma, and ameloblastic fibroma, together with healthy tissue samples (used as control group). The epithelial and connective components of all samples were distinguished and submitted to multivariate analysis. The results were in agreement with histological suggestions. PMID:27049108

  9. Infrared spectroscopy for chemical agent detection using tailored hypersorbent materials

    NASA Astrophysics Data System (ADS)

    Kozak, Dmitry A.; McGill, R. Andrew; Stievater, Todd H.; Furstenberg, Robert; Pruessner, Marcel W.; Nguyen, Viet

    2015-06-01

    We report long-wave infrared (LWIR, 5-15 μm) and mid-wave infrared (MWIR, 2.5 - 5 μm) differential absorption spectra of different nerve agent simulants and common solutes sorbed to poly(methyldi(1,1,1-trifluoro-2-trifluoromethyl- 2-hydroxypent-4-enyl)silane, HCSFA2, an NRL developed hypersorbent polymer. HCSFA2 is a strong hydrogen-bond acidic polymer which exhibits large gas-polymer partitions for a variety of hazardous chemicals with hydrogen-bond basic properties such as the phosphonate ester G-nerve agents or their simulants. The measured ATR-FTIR differential absorption spectra show complex fingerprint signal changes in the resonances for the sorbent material itself, as well as new resonances arising from chemical bonding between the solute or analyte and the sorbent or the solute itself being present in the sorbent.

  10. Kinetic inductance detectors for far-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  11. Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbon Cations. 3; The Members

    NASA Technical Reports Server (NTRS)

    Hudgins, D. M.; Allamandola, L. J.; Wittebon, Fred C. (Technical Monitor)

    1994-01-01

    In spite of the fact that the infrared spectroscopic properties of only a few isolated ionized polycyclic aromatic hydrocarbons (PAHs) are known, gaseous, ionized PAHs are thought to be responsible for a very common family of infrared interstellar emission bands. In order to provide a data base to test this hypothesis and, if borne out, to use this emission band family as a probe of many different interstellar environments, we are carrying out a thorough study of the infrared spectroscopic properties of neutral and ionized PAHs in argon matrices. Here we present the near and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene: phenanthrene, pyrene, benzo[e]pyrene, benzo[ghilperylene, and coronene. The properties of naphthalene, the first member of the series, are given elsewhere. The spectra of perdeuterated phenanthrene and pyrene are also reported. For those molecules which have been previously studied (pyrene, d(10)-pyrene, and coronene), band positions and relative intensities are in agreement. In all cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeutero-phenanthrene, pyrene, benzo[ghi]perylene, and coronene cations. With the exception of coronene,the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations the CC stretching and CH in-plane bending modes give rise to bands which are an order of magnitude stronger than for the neutral species, and the CH out-of-plane bends produce bands which are 5-20 times weaker than in the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

  12. THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS

    SciTech Connect

    Ricca, Alessandra; Bauschlicher, Charles W. Jr.; Allamandola, Louis J. E-mail: Charles.W.Bauschlicher@nasa.gov

    2013-10-10

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

  13. Laboratory infrared spectroscopy of gaseous negatively charged polyaromatic hydrocarbons

    SciTech Connect

    Gao, Juehan; Berden, Giel; Oomens, Jos

    2014-06-01

    Based largely on infrared spectroscopic evidence, polycyclic aromatic hydrocarbon (PAH) molecules are now widely accepted to occur abundantly in the interstellar medium. Laboratory infrared spectra have been obtained for a large variety of neutral and cationic PAHs, but data for anionic PAHs are scarce. Nonetheless, in regions with relatively high electron densities and low UV photon fluxes, PAHs have been suggested to occur predominantly as negatively charged ions (anions), having substantial influence on cloud chemistry. While some matrix spectra have been reported for radical anion PAHs, no data is available for even-electron anions, which are more stable against electron detachment. Here we present the first laboratory infrared spectra of deprotonated PAHs ([PAH-H]{sup –}) in the wavelength ranges between 6 and 16 μm and around 3 μm. Wavelength-dependent infrared multiple-photon electron detachment is employed to obtain spectra for deprotonated naphthalene, anthracene, and pyrene in the gas phase. Spectra are compared with theoretical spectra computed at the density functional theory level. We show that the relative band intensities in different ranges of the IR spectrum deviate significantly from those of neutral and positively charged PAHs, and moreover from those of radical anion PAHs. These relative band intensities are, however, well reproduced by theory. An analysis of the frontier molecular orbitals of the even- and odd-electron anions reveals a high degree of charge localization in the deprotonated systems, qualitatively explaining the observed differences and suggesting unusually high electric dipole moments for this class of PAH molecules.

  14. INFRARED SPECTROSCOPY OF NEARBY RADIO ACTIVE ELLIPTICAL GALAXIES

    SciTech Connect

    Mould, Jeremy; Reynolds, Tristan; Readhead, Tony; Matthews, Keith; Floyd, David; Brown, Michael; Jannuzi, Buell; Atlee, David; Cotter, Garret; Ferrarese, Laura

    2012-11-15

    In preparation for a study of their circumnuclear gas we have surveyed 60% of a complete sample of elliptical galaxies within 75 Mpc that are radio sources. Some 20% of our nuclear spectra have infrared emission lines, mostly Paschen lines, Brackett {gamma}, and [Fe II]. We consider the influence of radio power and black hole mass in relation to the spectra. Access to the spectra is provided here as a community resource.

  15. Mid-Infrared Spectroscopy of the Most Massive Stars

    NASA Astrophysics Data System (ADS)

    Figer, Donald; Najarro, Paco; Stolovy, Susan

    2004-09-01

    The most massive star that can form is presently defined by observations of a class of very rare stars having inferred initial masses of ~200 solar masses. There are only a few such stars in the Galaxy, including the Pistol Star, FMM362, and LBV 1806-20, the first two being located near the Galactic center, and third located in the disk near W31. Each has only recently been identified as so massive within the past 10 years through the analysis of infrared observations, but they are otherwise too faint, due to extinction, to observe at shorter wavelengths. These stars appear to be very luminous (L>10^6.3 solar luminosities), "blue" (T>10000 K), and variable (delta K~1 mag.), and the Pistol Star has ejected 10 solar masses of material in the past 10000 years. In addition, these stars have near-infrared spectra similar to those of prototypical Luminous Blue Variables, i.e. Eta Car and AG Car. Given their apparent violation of the Humphries-Davidson limit, they are presumably in a short-lived phase of stellar evolution that is often associated with rapid mass-loss through episodic eruptions of their outer atmospheres. We propose to determine the physical properties of these stars and the velocity and ionization structure in their winds by using spectra obtained with the high resolution modes of the Infrared Spectrograph (IRS) on the Spitzer Space Telescope. The 10 to 40 micron wavelength region is ideally suited for accessing a variety of lines from transitions of hydrogen, helium, iron, silicon, sulfur, among others; indeed, through our models, we predict that sufficiently sensitive spectra will yield over 300 spectral lines. In addition, we predict that the mid-infrared continuum will be dominated by free-free emission generated in the thick winds associated with these stars, an effect that should be clearly detectable in the spectra.

  16. [Near Infrared Spectroscopy of the Cretaceous Red Beds in Inner Mongolia Dongshengmiao].

    PubMed

    Liao, Yi-peng; Cao, Jian-jin; Wu, Zheng-quan; Luo, Song-ying; Wang, Zheng-yang

    2015-09-01

    Take the cores and surface weathered soil from the Cretaceous red beds in the western of Dongshengmiao mine of Inner Mongolia and analysis with near-infrared spectroscopy. The result shows that near-infrared spectroscopy can identify mineral quickly through the characteristic absorption peaks of each group. The Cretaceous red beds in the western of Dongshengmiao mine is argillaceous cementation, it is mainly composed of quartz, feldspar, montmorillonite, illite, chlorite, muscovite etc, the mineral composition is mainly affected by the upstream source area. The clay mineral like montmorillonite water swelling and uneven drying shrinkage expands the original crack and creates new cracks, reduces its strength, which is the mainly reason of its disintegration. According to the composition of clay mineral, we speculate its weathering process is mainly physical weathering, the climate during the weathering is cold and dry. The results can not only improve the geological feature of the mining area, but also show that the near-infrared spectroscopy technology can analyze the mineral composition of soil and rock effectively on the basis of Mineral spectroscopy, which demonstrates the feasibility of the near-infrared spectroscopy can analyze minerals in soil and rock quickly, that shows the feasibility in geology study, provides new ideas for the future research of soil and rock. PMID:26669159

  17. Optical Spectroscopy of Luminous Infrared Galaxies. I. Nuclear Data

    NASA Astrophysics Data System (ADS)

    Kim, D.-C.; Sanders, D. B.; Veilleux, S.; Mazzarella, J. M.; Soifer, B. T.

    1995-05-01

    A spectroscopic survey of a large sample of luminous infrared galaxies [log (L_ir_/L_sun_)^7^ ~ 10.5-12.5; H_0_ = 75 km s^-1^ Mpc^-1^] has been carried out using the Palomar 5 m telescope,, and the University of Hawaii 2.2 m telescope. Long-slit spectra covering 375o-8000 A at a resolution of ~10 A were obtained of 200 IRAS galaxies, including 114 objects from the IRAS Bright Galaxy Survey, and 86 objects with fainter infrared fluxes selected on the basis of their "warm" far-infrared (S_60_/S_100_) colors. The methods of observation and data reduction are discussed. An atlas of the spectra extracted from the nuclear region of these objects is presented along with a large number of parameters describing the properties of the emission lines, the stellar absorption lines, and the continuum emission that were measured from the spectra. An analysis of these data is presented in a companion paper (Veilleux et al. 1995) along with a discussion of the spatial variations of these parameters in a subsample of twenty-three objects.

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

    NASA Astrophysics Data System (ADS)

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

    1987-01-01

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

  19. Mid-infrared photothermal heterodyne spectroscopy in a liquid crystal using a quantum cascade laser

    PubMed Central

    Mërtiri, Alket; Jeys, Thomas; Liberman, Vladimir; Hong, M. K.; Mertz, Jerome; Altug, Hatice; Erramilli, Shyamsunder

    2012-01-01

    We report a technique to measure the mid-infrared photothermal response induced by a tunable quantum cascade laser in the neat liquid crystal 4-octyl-4′-cyanobiphenyl (8CB), without any intercalated dye. Heterodyne detection using a Ti:sapphire laser of the response in the solid, smectic, nematic and isotropic liquid crystal phases allows direct detection of a weak mid-infrared normal mode absorption using an inexpensive photodetector. At high pump power in the nematic phase, we observe an interesting peak splitting in the photothermal response. Tunable lasers that can access still stronger modes will facilitate photothermal heterodyne mid-infrared vibrational spectroscopy. PMID:22912508

  20. Isoconversion effective activation energy profiles by variable temperature diffuse reflection infrared spectroscopy.

    PubMed

    White, Daniel R; White, Robert L

    2008-01-01

    Thermal process characterization based on calculating effective activation energies from variable temperature diffuse reflection infrared spectroscopy (VT-DRIFTS) measurements is demonstrated. Experimental factors that affect the accuracies of activation energy values are outlined. Infrared radiation scattering efficiency, thermal conductivity, and inertness towards chemical reactions are factors that should be considered when selecting an appropriate diluent for preparing samples. The Kubelka-Munk representation is superior to apparent absorbance when baseline variations in spectra measured at different temperatures can be minimized. Variable-temperature infrared spectral features, such as integrated absorption band area, can be used to compute isoconversion effective activation energies, provided that measured quantities are proportional to species concentrations. PMID:18230216

  1. Difference Between Far-Infrared Photoconductivity Spectroscopy and Absorption Spectroscopy: Theoretical Evidence of the Electron Reservoir Mechanism

    NASA Astrophysics Data System (ADS)

    Toyoda, Tadashi; Fujita, Maho; Uchida, Tomohisa; Hiraiwa, Nobuyoshi; Fukuda, Taturo; Koizumi, Hideki; Zhang, Chao

    2013-08-01

    The intriguing difference between far-infrared photoconductivity spectroscopy and absorption spectroscopy in the measurement of the magnetoplasmon frequency in GaAs quantum wells reported by Holland et al. [Phys. Rev. Lett. 93, 186804 (2004)] remains unexplained to date. This Letter provides a consistent mechanism to solve this puzzle. The mechanism is based on the electron reservoir model for the integer quantum Hall effect in graphene [Phys. Lett. A 376, 616 (2012)]. We predict sharp kinks to appear in the magnetic induction dependence of the magnetoplasmon frequency at very low temperatures such as 14 mK in the same GaAs quantum well sample used by Holland et al..

  2. Applications of infrared free electron lasers in picosecond and nonlinear spectroscopy

    NASA Astrophysics Data System (ADS)

    Fann, W. S.; Benson, S. V.; Madey, J. M. J.; Etemad, S.; Baker, G. L.; Rothberg, L.; Roberson, M.; Austin, R. H.

    1990-10-01

    In this paper we describe two different types of spectroscopic experiments that exploit the characteristics of the infrared FEL, Mark III, for studies of condensed matter: - the spectrum of χ(3)(-3ω; ω, ω, ω) in polyacetylene: an application of the free electron laser in nonlinear optical spectroscopy, and - a dynamical test of Davydov-like solitons in acetanilide using a picosecond free electron laser. These two studies highlight the unique contributions FELs can make to condensed-matter spectroscopy.

  3. Evaluation of different grades of ginseng using Fourier-transform infrared and two-dimensional infrared correlation spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2010-06-01

    Ginseng is one of the most widely used herbal medicines which have many kinds of pharmaceutical values. The discrimination of grades of ginseng includes the cultivation types and the growth years herein. To evaluate the different grades of ginseng, the fibrous roots and rhizome roots of ginseng were analyzed by Fourier-transform infrared and two-dimensional infrared correlation spectroscopy in this paper. The fibrous root and rhizome root of ginseng have different content of starch, calcium oxalate and other components. For the fibrous roots of ginseng, mountain cultivation ginseng (MCG), garden cultivation ginseng (GCG) and transplanted cultivation ginseng (TCG) have clear difference in the infrared spectra and second derivative spectra in the range of 1800-400 cm -1, and clearer difference was observed in the range of 1045-1160 and 1410-1730 cm -1 in 2D synchronous correlation spectra. Three kinds of ginseng can be clustered very well by using SIMCA analysis on the basis of PCA as well. For the rhizome roots, the content of calcium oxalate and starch change with growth years in the IR spectra, and some useful procedure can be obtained by the analysis of 2D IR synchronous spectra in the range of 1050-1415 cm -1. Also, ginsengs cultivated in different growth years were clustered perfectly by using SIMCA analysis. The results suggested that different grades of ginseng can be well recognized using the mid-infrared spectroscopy assisted by 2D IR correlation spectroscopy, which provide the macro-fingerprint characteristics of ginseng in different parts and supplied a rapid, effective approach for the evaluation of the quality of ginseng.

  4. Thermal infrared spectroscopy and modeling of experimentally shocked plagioclase feldspars

    USGS Publications Warehouse

    Johnson, J. R.; Horz, F.; Staid, M.I.

    2003-01-01

    Thermal infrared emission and reflectance spectra (250-1400 cm-1; ???7???40 ??m) of experimentally shocked albite- and anorthite-rich rocks (17-56 GPa) demonstrate that plagioclase feldspars exhibit characteristic degradations in spectral features with increasing pressure. New measurements of albite (Ab98) presented here display major spectral absorptions between 1000-1250 cm-1 (8-10 ??m) (due to Si-O antisymmetric stretch motions of the silica tetrahedra) and weaker absorptions between 350-700 cm-1 (14-29 ??m) (due to Si-O-Si octahedral bending vibrations). Many of these features persist to higher pressures compared to similar features in measurements of shocked anorthite, consistent with previous thermal infrared absorption studies of shocked feldspars. A transparency feature at 855 cm-1 (11.7 ??m) observed in powdered albite spectra also degrades with increasing pressure, similar to the 830 cm-1 (12.0 ??m) transparency feature in spectra of powders of shocked anorthite. Linear deconvolution models demonstrate that combinations of common mineral and glass spectra can replicate the spectra of shocked anorthite relatively well until shock pressures of 20-25 GPa, above which model errors increase substantially, coincident with the onset of diaplectic glass formation. Albite deconvolutions exhibit higher errors overall but do not change significantly with pressure, likely because certain clay minerals selected by the model exhibit absorption features similar to those in highly shocked albite. The implication for deconvolution of thermal infrared spectra of planetary surfaces (or laboratory spectra of samples) is that the use of highly shocked anorthite spectra in end-member libraries could be helpful in identifying highly shocked calcic plagioclase feldspars.

  5. Spectroscopy of Comet Hale-Bopp in the infrared

    NASA Astrophysics Data System (ADS)

    Brooke, T. Y.; Weaver, H. A.; Chin, G.; Bockelée-Morvan, D.; Kim, S. J.; Xu, L.-H.

    2003-11-01

    High resolution infrared spectra of Comet C/1995 O1 (Hale-Bopp) were obtained during 2-5 March 1997 UT from the NASA Infrared Telescope Facility on Mauna Kea, Hawaii, when the comet was at r≈1.0 AU from the Sun pre-perihelion. Emission lines of CH 4, C 2H 6, HCN, C 2H 2, CH 3OH, H 2O, CO, and OH were detected. The rotational temperature of CH 4 in the inner coma was Trot=110±20 K. Spatial profiles of CH 4, C 2H 6, and H 2O were consistent with release solely from the nucleus. The centroid of the CO emission was offset from that of the dust continuum and H 2O. Spatial profiles of the CO lines were much broader than those of the other molecules and asymmetric. We estimate the CO production rate using a simplified outflow model: constant, symmetric outflow from the peak position. A model of the excitation of CO that includes optical depth effects using an escape probability method is presented. Optical depth effects are not sufficient to explain the broad spatial extent. Using a parent+extended-source model, the broad extent of the CO lines can be explained by CO being produced mostly (˜90% on 5 March) from an extended source in the coma. The CO rotational temperature was near 100 K. Abundances relative to H 2O (in percent) were 1.1±0.3 (CH 4), 0.39±0.10 (C 2H 6), 0.18±0.04 (HCN), 0.17±0.04 (C 2H 2), 1.7±0.5 (CH 3OH), and 37-41 (CO, parent+extended source). These are roughly comparable to those obtained for other long-period comets also observed in the infrared, though CO appears to vary.

  6. Infrared and NIR Raman spectroscopy in medical microbiology

    NASA Astrophysics Data System (ADS)

    Naumann, Dieter

    1998-04-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2006-05-01

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

  8. Ethylene hydrogenation catalysis on Pt(111) single-crystal surfaces studied by using mass spectrometry and in situ infrared absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Tillekaratne, Aashani; Simonovis, Juan Pablo; Zaera, Francisco

    2016-10-01

    The catalytic hydrogenation of ethylene promoted by a Pt(111) single crystal was studied by using a ultrahigh-vacuum surface-science instrument equipped with a so-called high-pressure cell. Kinetic data were acquired continuously during the catalytic conversion of atmospheric-pressure mixtures of ethylene and hydrogen by using mass spectrometry while simultaneously characterizing the surface species in operando mode by reflection-absorption infrared spectroscopy (RAIRS). Many observations reported in previous studies of this system were corroborated, including the presence of adsorbed alkylidyne intermediates during the reaction and the zero-order dependence of the rate of hydrogenation on the pressure of ethylene. In addition, the high quality of the kinetic data, which could be recorded continuously versus time and processed to calculate time-dependent turnover frequencies (TOFs), afforded a more detailed analysis of the mechanism. Specifically, deuterium labeling could be used to estimate the extent of isotope scrambling reached with mixed-isotope-substituted reactants (C2H4 + D2 and C2D4 + H2). Perhaps the most important new observation from this work is that, although extensive H-D exchange takes place on ethylene before being fully converted to ethane, the average stoichiometry of the final product retains the expected stoichiometry of the gas mixture, that is, four regular hydrogen atoms and two deuteriums per ethane molecule in the case of the experiments with C2H4 + D2. This means that no hydrogen atoms are removed from the surface via their inter-recombination to produce X2 (X = H or D). It is concluded that, under catalytic conditions, hydrogen surface recombination is much slower than ethylene hydrogenation and H-D exchange.

  9. Using near-infrared spectroscopy for characterization of transiting exoplanets

    NASA Astrophysics Data System (ADS)

    Aronson, E.; Waldén, P.

    2015-06-01

    Context. We propose a method for observing transiting exoplanets with near-infrared high-resolution spectrometers. Aims: We aim to create a robust data analysis method for recovering atmospheric transmission spectra from transiting exoplanets over a wide wavelength range in the near-infrared. Methods: By using an inverse method approach, combined with stellar models and telluric transmission spectra, the method recovers the transiting exoplanet's atmospheric transmittance at high precision over a wide wavelength range. We describe our method and have tested it by simulating observations. Results: This method is capable of recovering transmission spectra of high enough accuracy to identify absorption features from molecules such as O2, CH4, CO2, and H2O. This accuracy is achievable for Jupiter-size exoplanets at S/N that can be reached for 8 m class telescopes using high-resolution spectrometers (R> 20 000) during a single transit, and for Earth-size planets and super-Earths transiting late K or M dwarf stars at S/N reachable during observations of less than 10 transits. We also analyse potential error sources to show the robustness of the method. Conclusions: Detection and characterization of atmospheres of both Jupiter-size planets and smaller rocky planets looks promising using this set-up.

  10. Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Cations

    NASA Technical Reports Server (NTRS)

    Hudgins, D. M.; Allamandola, L. J.

    1995-01-01

    Gaseous, ionized polycyclic aromatic hydrocarbons (PAHs) are thought to be responsible for a very common family of interstellar infrared emission bands. Here the near- and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene: phenanthrene, pyrene, benzo(e)pyrene, benzo-(ghi)perylene, and coronene, are presented to test this hypothesis. For those molecules that have been studied previously (pyrene, pyrene-d(sub 10), and coronene), band positions and relative intensities are in agreement. In all of these cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeuteriophenanthrene, pyrene, benzo(ghi]perylene, and coronene cations. With the exception of coronene, the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations, the CC stretching and CH in-plane bending modes give rise to bands that are an order of magnitude stronger than those of the neutral species, and the CH out-of-plane bends produce bands that are 5-20 times weaker than those of the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

  11. 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

  12. Near-Infrared Spectroscopy of 12 Outer Main Belt Asteroids

    NASA Astrophysics Data System (ADS)

    Takir, Driss; Emery, J. P.

    2010-10-01

    We have begun a project to quantify the degree of aqueous alteration in CM carbonaceous chondrites, obtain spectra of these chondrites, and measure spectra of possibly related outer Main Belt asteroids in order to explore the nature of aqueous alteration on these asteroids. In this first stage of the project, we will present the near-infrared (NIR) spectra of 12 outer Main Belt asteroids (2.59 < a < 3.96 AU). The asteroids include, 10 Hygiea, 76 Friea, 91 Aegina, 107 Camila, 104 Klymene, 121 Hemione, 153 Hilda, 308 Polyxo, 334 Chicago, 361 Bononia, 401 Ottilia, and 790 Pretoria. We collected the spectra of these asteroids between April 2009 and April 2010, using the long wavelength cross-dispersed (LXD) mode (1.9-4.1-µm) of the SpeX spectrograph/imager at the NASA Infrared Telescope Facility (IRTF). We also observed some of these asteroids with the prism mode (0.8-2.5-µm). For data reduction, we used Spextool, a set of Interactive Data Language routines provided by the IRTF. Except for 91 Aegina, all observed asteroids exhibit an absorption feature near 3-µm, which is attributed to hydrated minerals and/or H2O ice. The hydrated mineral features on these asteroids show two different band shapes, weak "rounded” H2O-like absorption band and deeper "checkmark” OH-like absorption band. The former band shape is much more common in our sample than the latter band shape.

  13. Time-domain spectroscopy in the mid-infrared.

    PubMed

    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

  14. Identification and classification of silks using infrared spectroscopy.

    PubMed

    Boulet-Audet, Maxime; Vollrath, Fritz; Holland, Chris

    2015-10-01

    Lepidopteran silks number in the thousands and display a vast diversity of structures, properties and industrial potential. To map this remarkable biochemical diversity, we present an identification and screening method based on the infrared spectra of native silk feedstock and cocoons. Multivariate analysis of over 1214 infrared spectra obtained from 35 species allowed us to group silks into distinct hierarchies and a classification that agrees well with current phylogenetic data and taxonomies. This approach also provides information on the relative content of sericin, calcium oxalate, phenolic compounds, poly-alanine and poly(alanine-glycine) β-sheets. It emerged that the domesticated mulberry silkmoth Bombyx mori represents an outlier compared with other silkmoth taxa in terms of spectral properties. Interestingly, Epiphora bauhiniae was found to contain the highest amount of β-sheets reported to date for any wild silkmoth. We conclude that our approach provides a new route to determine cocoon chemical composition and in turn a novel, biological as well as material, classification of silks. PMID:26347557

  15. Identification and classification of silks using infrared spectroscopy

    PubMed Central

    Boulet-Audet, Maxime; Vollrath, Fritz; Holland, Chris

    2015-01-01

    ABSTRACT Lepidopteran silks number in the thousands and display a vast diversity of structures, properties and industrial potential. To map this remarkable biochemical diversity, we present an identification and screening method based on the infrared spectra of native silk feedstock and cocoons. Multivariate analysis of over 1214 infrared spectra obtained from 35 species allowed us to group silks into distinct hierarchies and a classification that agrees well with current phylogenetic data and taxonomies. This approach also provides information on the relative content of sericin, calcium oxalate, phenolic compounds, poly-alanine and poly(alanine-glycine) β-sheets. It emerged that the domesticated mulberry silkmoth Bombyx mori represents an outlier compared with other silkmoth taxa in terms of spectral properties. Interestingly, Epiphora bauhiniae was found to contain the highest amount of β-sheets reported to date for any wild silkmoth. We conclude that our approach provides a new route to determine cocoon chemical composition and in turn a novel, biological as well as material, classification of silks. PMID:26347557

  16. Infrared spectroscopy of HOOO and DOOO in 4He nanodroplets

    NASA Astrophysics Data System (ADS)

    Raston, Paul L.; Liang, Tao; Douberly, Gary E.

    2012-11-01

    The HOOO hydridotrioxygen radical and its deuterated analog (DOOO) have been isolated in helium nanodroplets following the in situ association reaction between OH and O2. The infrared spectrum in the 3500-3700 cm-1 region reveals bands that are assigned to the ν1 (OH stretch) fundamental and ν1 + ν6 (OH stretch plus torsion) combination band of the trans-HOOO isomer. The helium droplet spectrum is assigned on the basis of a detailed comparison to the infrared spectrum of HOOO produced in the gas phase [E. L. Derro, T. D. Sechler, C. Murray, and M. I. Lester, J. Chem. Phys. 128, 244313 (2008), 10.1063/1.2945872]. Despite the characteristic low temperature and rapid cooling of helium nanodroplets, there is no evidence for the formation of a weakly bound OH-O2 van der Waals complex, which implies the absence of a kinetically significant barrier in the entrance channel of the reaction. There is also no spectroscopic evidence for the formation of cis-HOOO, which is predicted by theory to be nearly isoenergetic to the trans isomer. Under conditions that favor the introduction of multiple O2 molecules to the droplets, bands associated with larger H/DOOO-(O2)n clusters are observed shifted ˜1-10 cm-1 to the red of the trans-H/DOOO ν1 bands.

  17. Infrared Fourier transform spectroscopy of C-13 methanol

    NASA Astrophysics Data System (ADS)

    Predoi-Cross, Adriana

    This work is a high-resolution Fourier transform infrared study of three vibrational states of C-13 methanol. We have investigated the regions from 1000-1400 cm-1 at 0.002 cm-1 resolution and from 1850-1950 cm-1 at 0.0028 cm-1 resolution. The vibrational modes covered by this study are: the CH3-Rocking band, the OH-Bending band and the first CO-Stretch overtone band. This study has led to (i) determination of excited-state molecular constants, (ii) characterization of a variety of interactions coupling the different vibrational modes, and (iii) identification of a number of reported far-infrared (FIR) lasing transitions and the prediction of new FIR laser emissions. The weak CH3-Rocking band is found to have principally a parallel character and has a double-peaked Q-branch and widely spread sub-bands due to a 28% increase in the torsional barrier height as compared to the ground state. We have assigned thirty ground torsional sub-bands and about ten sub-bands for the first excited torsional state. These sub-bands have been fitted to J(J+1) power-series expansions to obtain the sub- band origins and state-specific expansion parameters. The asymmetry splitting coefficients have also been determined. In our spectrum we have observed the effects of Coriolis coupling between rocking (K - 1) and CO- Stretching K levels for K values from 6 to 10. Other interesting interactions encountered are J-localized perturbations due to level crossing resonances with the CO-Stretch state. Two far-infrared laser emissions reported for the 10R(26) CO2 pump system are the result of a ΔK = 3 interaction. The OH-Bending band is widely spread with Q-subbranches grouped in two peaks at about 1312 cm-1 and 1338 cm-1. The OH-Bending state strongly interacts with the first excited torsional CH3-Rocking state and we have observed several 'extra' forbidden sub-bands arising from intensity borrowing from the allowed interacting sub-bands. The asymmetry splitting of the K = 2 doublet was found to

  18. [Near infrared reflectance spectroscopy (NIRS) and its application in the determination for the quality of animal feed and products].

    PubMed

    Wang, Li; Meng, Qing-Xiang; Ren, Li-Ping; Yang, Jian-Song

    2010-06-01

    Near-infrared reflectance spectroscopy (NIRS) has been the most rapidly developing and noticeable spectrographic analytical technique in recent years. The determining principle and progresses of near-infrared reflectance spectroscopy are presented briefly. It mainly includes the progresses in pre-processing technique and analyzing model of near-infrared reflectance spectroscopy. Two pre-processing techniques, including differential coefficient-dealt with technique, the signal-smoothing technique, and four analyzing models of near-infrared spectroscopy, including the multiplied lined regression (MLR), principal component analysis (PCA), partial least squares (PLS), and artificial nerve network (ANN). The application of near-infrared reflectance spectroscopy to the first time. The investigation of reviewed papers shows that the near-infrared reflectance spectroscopy is widely applied in feed analysis and animal products analysis because of its rapidness, non-destruction and non-pollution. The near infrared reflectance spectroscopy has been used to determine the feed common ingredient, such as dry matter, crude protein, crude fiber, crude fat and so on, micro-components including amino acid, vitamin, and noxious components, and to determine the physical and chemical properties of animal products which including egg, mutton, beef and pork. Details of the analytical characteristics of feed and animal products described in the reviewed papers are given. New trends and limits to the application of near-infrared reflectance spectroscopy in these fields are also discussed. PMID:20707134

  19. Use of Mid- and Near-Infrared Spectroscopy to Track Degradation of Polyactide Eating Utensils and Containers During Composting

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Near-infrared spectroscopy (NIRS) has been used for decades for quantitative analysis of many agricultural products including forages, grains and foods, and more recently has become a powerful tool in the analysis of pharmaceutical ingredients and products. Mid-infrared spectroscopy (MIRS) has been ...

  20. Detection of sucrose content of sugar beet by visible/near-infrared spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Sucrose content is the most important quality parameter in the production and processing of sugar beet. This paper reports on the application of visible/near-infrared (Vis-NIR) spectroscopy for measurement of the sucrose content of sugar beet. Two portable spectrometers, covering the spectral region...

  1. NEAR-INFRARED TRANSMISSION AND REFLECTANCE SPECTROSCOPY FOR DETERMINATION OF DIETARY FIBER IN BARLEY

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Near-infrared (NIR) transmission and reflectance spectroscopy were investigated as rapid screening tools to evaluate the total dietary fiber content of barley. The Foss Grainspec Rice Analyzer and the NIR Systems 6500 monochromator were used to obtain transmission and reflectance spectra, respectiv...

  2. MEASUREMENT OF TOTAL DIETARY FIBER IN MILLED BARLEY USING NEAR-INFRARED TRANSMITTANCE SPECTROSCOPY

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Whole-grain milled barley (n=56) was scanned using a near-infrared transmittance spectroscopy (NIT)(850-1048nm) and total dietary fiber (TDF) was determined for each cultivar by AOAC enzymatic-gravimetric method (Method 991.43). The validation statistics of PLS models using calibration (n=28) and v...

  3. Prediction of chemical contaminants and food compositions by near infrared spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Prediction of Food Adulteration by Infrared Spectroscopy H. Zhuang Quality and Safety Assessment Research Unit, ARS-USDA, 950 College Station Road, Athens, GA 30605 Food adulteration, including both chemical contamination and composition alternation, has been one of major quality and/or safety c...

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

    EPA Science Inventory

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

  5. Use of visible and near-infrared spectroscopy to predict pork longissimus lean color stability

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This study evaluated using visible and near-infrared (VIS/NIR) spectroscopy to predict lean color stability in pork loin chops. Spectra were collected immediately following and approximately 1 h after rib removal from 1,208 loins. Loins were aged for 14 d before a 2.54-cm chop was placed in simula...

  6. A near-infrared spectroscopy routine for unambiguous identification of cryptic ant species

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The identification of species – of importance for most biological disciplines – is not always straightforward as cryptic species present a hurdle for traditional species discrimination. Fibre-optic near-infrared spectroscopy (NIRS) is a rapid and cheap method for a wide range of different applicatio...

  7. Visible and Near-Infrared Spectroscopy Detects Honey Bee Queen Insemination

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The abdomens of honey bee queens, the heads of worker bees, and the ventriculi of worker bees were analyzed by visible and near-infrared spectroscopy. Mated honey bee queens could be distinguished from virgin queens by their spectra with 100% accuracy. Also, the heads of worker bees taken from the ...

  8. Visible/near-infrared spectroscopy to predict water holding capacity in broiler breast meat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Visible/Near-infrared spectroscopy (Vis/NIRS) was examined as a tool for rapidly determining water holding capacity (WHC) in broiler breast meat. Both partial least squares (PLS) and principal component analysis (PCA) models were developed to relate Vis/NIRS spectra of 85 broiler breast meat sample...

  9. Integrating Near Infrared Spectroscopy (NIR) into the USDA-ARS sugarcane breeding program in Houma, LA

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Near Infrared Spectroscopy (NIRs) is a relatively new technique that has the potential to benefit Louisiana’s sugarcane industry, and is being successfully used in other parts of the world (e.g., South Africa) and even Florida. Recently, the USDA-ARS in Houma, LA purchased a NIR Cane Presentation Sy...

  10. Prefrontal Dysfunction in Attention-Deficit/Hyperactivity Disorder as Measured by Near-Infrared Spectroscopy

    ERIC Educational Resources Information Center

    Negoro, Hideki; Sawada, Masayuki; Iida, Junzo; Ota, Toyosaku; Tanaka, Shohei; Kishimoto, Toshifumi

    2010-01-01

    Recent developments in near-infrared spectroscopy (NIRS) have enabled non-invasive clarification of brain functions in psychiatric disorders with measurement of hemoglobin concentrations as cerebral blood volume. Twenty medication-naive children with attention-deficit/hyperactivity disorder (ADHD) and 20 age- and sex-matched healthy control…

  11. Topics in Chemical Instrumentation: Fourier Transform-Infrared Spectroscopy: Part I. Instrumentation.

    ERIC Educational Resources Information Center

    Perkins, W. D.

    1986-01-01

    Discusses: (1) the design of the Fourier Transform-Infrared Spectroscopy (FT-IR) spectrometer; (2) the computation of the spectrum from the interferogram; and (3) the use of apodization. (Part II will discuss advantages of FT-IR over dispersive techniques and show applications of FT-IR to difficult spectroscopic measurements.) (JN)

  12. Visible and near-infrared spectroscopy detects queen honey bee insemination

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The abdomens of honey bee queens, the heads of worker bees, and the ventriculi of worker bees were analyzed by visible and near-infrared spectroscopy. Mated honey bee queens could be distinguished from virgin queens by their spectra with 100% accuracy. Also, the heads of worker bees taken from the...

  13. Nanoscale infrared spectroscopy as a non-destructive probe of extraterrestrial samples.

    PubMed

    Dominguez, Gerardo; Mcleod, A S; Gainsforth, Zack; Kelly, P; Bechtel, Hans A; Keilmann, Fritz; Westphal, Andrew; Thiemens, Mark; Basov, D N

    2014-01-01

    Advances in the spatial resolution of modern analytical techniques have tremendously augmented the scientific insight gained from the analysis of natural samples. Yet, while techniques for the elemental and structural characterization of samples have achieved sub-nanometre spatial resolution, infrared spectral mapping of geochemical samples at vibrational 'fingerprint' wavelengths has remained restricted to spatial scales >10 μm. Nevertheless, infrared spectroscopy remains an invaluable contactless probe of chemical structure, details of which offer clues to the formation history of minerals. Here we report on the successful implementation of infrared near-field imaging, spectroscopy and analysis techniques capable of sub-micron scale mineral identification within natural samples, including a chondrule from the Murchison meteorite and a cometary dust grain (Iris) from NASA's Stardust mission. Complementary to scanning electron microscopy, energy-dispersive X-ray spectroscopy and transmission electron microscopy probes, this work evidences a similarity between chondritic and cometary materials, and inaugurates a new era of infrared nano-spectroscopy applied to small and invaluable extraterrestrial samples. PMID:25487365

  14. GRAZING-ANGLE FOURIER TRANSFORM INFRARED SPECTROSCOPY FOR ONLINE SURFACE CLEANLINESS VERIFICATION. YEAR 1

    EPA Science Inventory

    As part of the Online Surface Cleanliness Project, the Naval Facilities Engineering Service Center (NFESC) conducted a study of grazing-angle reflectance Fourier Transform Infrared (FTIR) Spectroscopy as a tool for online cleanliness verification at Department of Defense (DoD) cl...

  15. NEAR INFRARED IMAGING SPECTROSCOPY FOR DETECTING NEW AND OLD BRUISES ON APPLES

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The objective of this research was to investigate the potential of near-infrared (NIR) imaging spectroscopy for detecting new and old bruises on apple fruit in the spectral region between 900 nm and 1700 nm. Experiments were conducted to acquire hyperspectral image cubes from Red Delicious and Gold...

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  17. Differentiation of motor oils by infrared spectroscopy and elemental analysis for criminalistic purposes

    NASA Astrophysics Data System (ADS)

    Zi ęba-Palus, Janina; Kościelniak, Paweł

    1999-05-01

    Sixteen kinds of mineral, synthetic and semisynthetic motor oils were examined by the FTIR, XRF and AAS methods. It was found that infrared spectroscopy supported by the quantitative elemental analysis provides information on the additives and can be recommended in most cases for differentiation between various oil samples for criminalistic purposes.

  18. Near-infrared transmission and reflectance spectroscopy for the measurement of dietary fiber in barley

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Near-infrared (NIR) transmission and reflectance spectroscopy were investigated as rapid screening tools to evaluate the total dietary fiber content of barley (Hordeum vulgare L.) cultivars. A Foss Grainspec Rice Analyzer and an NIR Systems 6500 spectrometer were used to obtain transmission and ref...

  19. Development of near-infrared spectroscopy calibrations to measure quality characteristics in intact Brassicaceae germplasm

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Determining seed quality parameters is an integral part of cultivar improvement and germplasm screening. However, quality tests are often time cnsuming, seed destructive, and can require large seed samples. This study describes the development of near-infrared spectroscopy (NIRS) calibrations to mea...

  20. Abdominal near-infrared spectroscopy measurements are lower in preterm infants at risk for necrotizing enterocolitis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Near-infrared spectroscopy is a noninvasive method of measuring local tissue oxygenation (StO[2]). Abdominal StO[2] measurements in preterm piglets are directly correlated with changes in intestinal blood flow and markedly reduced by necrotizing enterocolitis. The objectives of this study were to us...

  1. Functional Near-Infrared Spectroscopy for the Assessment of Speech Related Tasks

    ERIC Educational Resources Information Center

    Dieler, A. C.; Tupak, S. V.; Fallgatter, A. J.

    2012-01-01

    Over the past years functional near-infrared spectroscopy (fNIRS) has substantially contributed to the understanding of language and its neural correlates. In contrast to other imaging techniques, fNIRS is well suited to study language function in healthy and psychiatric populations due to its cheap and easy application in a quiet and natural…

  2. ATMOSPHERIC MEASUREMENTS OF TRACE POLLUTANTS; LONG PATH FOURIER TRANSFORM INFRARED SPECTROSCOPY

    EPA Science Inventory

    Described are the results of a four-year study to measure trace pollutant concentrations in polluted atmospheres by kilometer pathlength Fourier transform infrared (FT-IR) absorption spectroscopy. The study covers selected smog episodes during the years 1976 to 1979. During 1976 ...

  3. Near-field imaging and nano-Fourier-transform infrared spectroscopy using broadband synchrotron radiation.

    PubMed

    Hermann, Peter; Hoehl, Arne; Patoka, Piotr; Huth, Florian; Rühl, Eckart; Ulm, Gerhard

    2013-02-11

    We demonstrate scanning near-field optical microscopy with a spatial resolution below 100 nm by using low intensity broadband synchrotron radiation in the IR regime. The use of such a broadband radiation source opens up the possibility to perform nano-Fourier-transform infrared spectroscopy over a wide spectral range. PMID:23481749

  4. Examination of Bond Properties through Infrared Spectroscopy and Molecular Modeling in the General Chemistry Laboratory

    ERIC Educational Resources Information Center

    Csizmar, Clifford M.; Force, Dee Ann; Warner, Don L.

    2012-01-01

    A concerted effort has been made to increase the opportunities for undergraduate students to address scientific problems employing the processes used by practicing chemists. As part of this effort, an infrared (IR) spectroscopy and molecular modeling experiment was developed for the first-year general chemistry laboratory course. In the…

  5. Determination of sucrose content in sugar beet by portable visible and near-infrared spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The feasibility of visible and near-infrared spectroscopy for measurement of the sucrose content of sugar beet was investigated with two portable spectrometers that cover the spectral regions of 400-1,100 nm and 900-1,600 nm, respectively. Spectra in interactance mode were collected first from 398 i...

  6. Quantification of rosmarinic acid levels by near infrared spectroscopy in laboratory culture grown spearmint plantlets

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A method for the rapid quantization of rosmarinic acid (RA) in tissues of spearmint using near-infrared (NIR) spectroscopy was developed by correlating with the results of methanol extracts analyzed on a HPLC photo-diode array (PDA) system. NIR and HPLC analyses performed on over 500 samples were u...

  7. Visible/near-infrared spectroscopy for discrimination of HLB-infected citrus leaves from healthy leaves

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Researchers have used various hyperspectral systems, covering several areas of the electromagnetic spectrum to investigate all types of disease/plant interactions. The purpose of this research was to investigate using visible and near-infrared (400-1100nm) spectroscopy to differentiate HLB infected...

  8. Large-Area Graphene Nanodot Array for Plasmon-Enhanced Infrared Spectroscopy.

    PubMed

    Zhang, Kai; Zhang, Lei; Yap, Fung Ling; Song, Peng; Qiu, Cheng-Wei; Loh, Kian Ping

    2016-03-01

    Graphene nanodot arrays (GNDAs) are fabricated by block copolymer lithography in a high-throughput manner. The GNDA shows strong broadband plasmonic resonances in the mid-IR region with high localized field enhancement, thus allowing plasmon-enhanced infrared spectroscopy with reliable sensitivity and selectivity to be performed. PMID:26753556

  9. Data fusion of visible/near-infrared spectroscopy and spectral scattering for apple quality assessment

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Visible/near-infrared (VNIR) spectroscopy and spectral scattering are based on different sensing principles, and they have shown different abilities for predicting apple fruit firmness and soluble solids content (SSC). Hence the two techniques could work synergistically to improve the quality predic...

  10. [The research progress in determining lignocellulosic content by near infrared reflectance spectroscopy technology].

    PubMed

    Du, Juan; An, Dong; Xia, Tian; Huang, Yan-Hua; Li, Hong-Chao; Zhang, Yun-Wei

    2013-12-01

    Near infrared reflectance spectroscopy technology, as a new analytic method, can be used to determine the content of lignin, cellulose and hemi-cellulose which is faster, effective, easier to operate, and more accurate than the traditional wet chemical methods. Nowadays it has been widely used in measuring the composition of lignocelluloses in woody plant and herbaceous plant. The domestic and foreign research progress in determining the lignin, cellulose and hemi-cellulose content in woody plant ( wood and bamboo used as papermaking raw materials and wood served as potential biomass energy) and herbaceous plant (forage grass and energy grass) by near infrared reflectance spectroscopy technology is comprehensively summarized and the advances in method studies of measuring the composition of lignocelluloses by near infrared reflectance spectroscopy technology are summed up in three aspects, sample preparation, spectral data pretreatment and wavelength selection methods, and chemometric analysis respectively. Four outlooks are proposed combining the development statues of wood, forage grass and energy grass industry. First of all, the authors need to establish more feasible and applicable models for a variety of uses which can be used for more species from different areas, periods and anatomical parts. Secondly, comprehensive near infrared reflectance spectroscopy data base of grass products quality index needs to be improved to realize on-line quality and process control in grassproducts industry, which can guarantee the quality of the grass product. Thirdly, the near infrared reflectance spectroscopy quality index model of energy plant need to be built which can not only contribute to breed screening, but also improve the development of biomass industry. Besides, modeling approaches are required to be explored and perfected any further. Finally, the authors need to try our best to boost the advancement in the determination method of lignin, cellulose and hemi

  11. Infrared spectroscopy experiment on the Mariner 9 mission - Preliminary results.

    NASA Technical Reports Server (NTRS)

    Hanel, R. A.; Conrath, B. J.; Hovis, W. A.; Kunde, V. G.; Lowman, P. D.; Pearl, J. C.; Prabhakara, C.; Schlachman, B.; Levin, G. V.

    1972-01-01

    The Mariner 9 IR spectroscopy experiment has provided good-quality spectra of many areas of Mars, predominantly in the southern hemisphere. Large portions of the thermal emission spectra are significantly affected by dust with a silicon oxide content approximately corresponding to that of an intermediate igneous rock, thus implying that Mars has undergone substantial geochemical differentiation. Derived temperature profiles indicate a warm daytime upper atmosphere with a strong warming over the south polar cap. Atmospheric water vapor is clearly observed over the south polar area and less strongly over other regions.

  12. Research on content measurement of textile mixture by near infrared spectroscopy based on principal component regression

    NASA Astrophysics Data System (ADS)

    Yan, Li; Liu, Li

    2010-07-01

    A new method for accurate measurement of content of textile mixture by use of Fourier transform near infrared spectroscopy is put forward. The near infrared spectra of 56 samples with different cotton and polyester contents were obtained, in which 41 samples, 10 samples and 5 samples were used for the calibration set, validation set and prediction set respectively. Principal component analysis (PCA) was utilized for the spectra data compression. Principal component regression (PCR) model was developed. It indicates that the MAE is within 2.9% and the RMSE is less than 3.6% for the validation samples, which is suitable for the prediction of unknown samples. The PCR model was applied to predict unknown samples. Experimental results show that this approach by use of Fourier transform Near Infrared Spectroscopy can be used to quantitative analysis for textile fiber.

  13. Quantitative analysis of peanut oil content in ternary blended edible oil using near infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Chen, Huacai; Liu, Fuli; Wang, Zhilan; Jin, Shangzhong

    2008-03-01

    Calibration models of quantitative analysis of peanut oil content in ternary blended edible oil by near infrared spectroscopy were built using partial least square (PLS) regression. A total of 92 samples blended with three kinds of pure oil in different proportion (V/V) were prepared. Near infrared diffuse reflectance spectra of the samples were collected over 4 000 cm -1-10 000 cm -1 spectral region with a FT-NIR spectrometer. A calibration model of prediction to the peanut oil content was established with PLS using the original spectra and validated with leave-one-out cross validation method. The correlation coefficient and the RMSEC of the model were 0.9926 and 2.91%, respectively. The result showed that near infrared spectroscopy could be an ideal tool for fast determination to the peanut oil content in blended edible oil.

  14. Terahertz time-domain and Fourier-transform infrared spectroscopy of traditional Korean pigments

    NASA Astrophysics Data System (ADS)

    Hong, Taeyoon; Choi, Kyujin; Ha, Taewoo; Park, Byung Cheol; Sim, Kyung Ik; Kim, Jong Hyeon; Kim, Jae Hoon; Kwon, Jy Eun; Lee, Sanghyun; Kang, Dai Ill; Lee, Han Hyoung

    2014-03-01

    Representative traditional Korean pigments (oyster shell white [hobun], massicot [miltaseung], indigo [jjok], azurite [seokcheong], malachite [seokrok], and red lead [yeondan]) have been studied with terahertz time-domain spectroscopy (THz-TDS) and Fourier-transform infrared spectroscopy (FTIRS) over the spectral region of 0.1-7.5 THz. Both the refractive index n and the extinction coefficient k were simultaneously and independently determined in the terahertz region without a Kramers-Kronig analysis while the absoprtion coefficient spectra were acquired in the infrared region. All pigments studied in the present work exhibited a set of characteristic absorption peaks unique to the pigment species in addition to a background that increased with increasing frequency. Our study demonstrates that terahertz and infrared techniques can be useful identification and diagnostic tools for the traditional Korean pigments used in heritage buildings and artworks.

  15. Mid-infrared spectroscopy and chemometrics in corn starch classification

    NASA Astrophysics Data System (ADS)

    Dupuy, N.; Wojciechowski, C.; Ta, C. D.; Huvenne, J. P.; Legrand, P.

    1997-06-01

    The authentication of food is a very important issue for both the consumer and the food industry at all levels of the food chain from raw materials to finished products. Corn starch can be used in a wide variety of food preparations such as bakery cream fillings, sauces, salad dressings, frozen foods etc. Many modifications are made to corn starch in connection with its use in agrofood. The value of the product increases with the degree of modification. Some chemical and physical tests have been devised to solve the problem of identifying these modifications but all the methods are time consuming and require skilled operators. We separate corn starches into groups related to their modification on the basis of the infrared spectra.

  16. Photoacoustic Fourier Transform Infrared (FTIR) Spectroscopy Of Solids

    NASA Astrophysics Data System (ADS)

    Vidrine, D. Warren

    1981-10-01

    After discovering the photoacoustic effect, Alexander Graham Bell predicted its use in spectrometers, and that it would find its greatest utility "in the ultra-red." More than ninety years were required to fulfil his first prediction, and the second is still a prophecy. There is no record whether he ever imagined that an invention being developed that same winter by a young protege of his named Albert Michelson would ever be combined with his photoacoustic effect. A century later, the combination was made by Farrow Burnham, and Eyring, using a visible-range interferometer spectrometer of their own design. Soon afterwards, Rockley and myself, working independently, applied the technique to infrared measurements of solid samples. Photoacoustic cells are now commercially available as FT-IR accessories, and the technique is in use in the field.

  17. 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.

  18. 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.

  19. High-resolution near-infrared spectroscopy of water dimer

    NASA Technical Reports Server (NTRS)

    Huang, Z. S.; Miller, R. E.

    1989-01-01

    High-resolution near-infrared spectra are reported for all of the O-H stretch vibrational bands of the water dimer. The four O-H vibrations are characterized as essentially independent proton-donor or proton-acceptor motions. In addition to the rotational and vibrational information contained in these spectra, details are obtained concerning the internal tunneling dynamics in both the ground and excited vibrational states. These results show that, for tunneling motions which involve the interchange of the proton donor and acceptor molecules, the associated frequencies decrease substantially due to vibrational excitation. The predissociation lifetimes for the various states of the dimer are determined from linewidth measurements. These results clearly show that the predissociation dynamics is strongly dependent on the tunneling states, as well as the Ka quantum number, indicating that the internal tunneling dynamics plays an important role in determining the dissociation rate in this complex.

  20. Communication: Infrared spectroscopy of salt-water complexes

    NASA Astrophysics Data System (ADS)

    Tandy, Jon; Feng, Cheng; Boatwright, Adrian; Sarma, Gautam; Sadoon, Ahmed M.; Shirley, Andrew; Rodrigues, Natercia Das Neves; Cunningham, Ethan M.; Yang, Shengfu; Ellis, Andrew M.

    2016-03-01

    To explore how the ion-pair in a single salt molecule evolves with the addition of water, infrared (IR) spectra of complexes composed of NaCl and multiple water molecules have been recorded for the first time. The NaCl(H2O)n complexes were formed and probed in liquid helium nanodroplets, and IR spectra were recorded for n = 1 → 4. The spectra for n = 1, 2, and 3 are consistent with formation of the lowest energy contact-ion pair structures in which each water molecule forms a single ionic hydrogen bond to an intact Na+Cl- ion-pair. Alternative structures with hydrogen bonding between water molecules become energetically competitive for n = 4, and the IR spectrum indicates likely the coexistence of at least two isomers.

  1. Infrared Spectroscopy of Charge Transfer Complexes of Purines and Pyrimidines

    SciTech Connect

    Rathod, Pravinsinh I.; Oza, A. T.

    2011-10-20

    The FTIR spectra of charge transfer complexes of purines and pyrimidines with organic acceptors such as TCNQ, TCNE, DDQ, chloranil and iodine are obtained and studied in the present work. Adenine, guanine, thymine, cytosine and uracil are the purines and pyrimidines which are found as constituent of DNA and RNA. Charge transfer induced hydrogen bonding is concluded on the basis of indirect transitions observed in the infrared range in these CTCs. Some CTCs show gaussian bands revealing delocalization of charge carriers. The CTCs show interband transition in three-dimensions rather than two-dimensions unlike CTCs of amino acids. There is no extended hydrogen bonded network spanning the whole crystal. This leads to indirect transition due to locally deformed lattice furnishing a phonon-assisted transition.

  2. Thermal infrared reflectance and emission spectroscopy of quartzofeldspathic glasses

    USGS Publications Warehouse

    Byrnes, J.M.; Ramsey, M.S.; King, P.L.; Lee, R.J.

    2007-01-01

    This investigation seeks to better understand the thermal infrared (TIR) spectral characteristics of naturally-occurring amorphous materials through laboratory synthesis and analysis of glasses. Because spectra of glass phases differ markedly from their mineral counterparts, examination of glasses is important to accurately determine the composition of amorphous surface materials using remote sensing datasets. Quantitatively characterizing TIR (5-25 ??m) spectral changes that accompany structural changes between glasses and mineral crystals provides the means to understand natural glasses on Earth and Mars. A suite of glasses with compositions analogous to common terrestrial volcanic glasses was created and analyzed using TIR reflectance and emission techniques. Documented spectral characteristics provide a basis for comparison with TIR spectra of other amorphous materials (glasses, clays, etc.). Our results provide the means to better detect and characterize glasses associated with terrestrial volcanoes, as well as contribute toward understanding the nature of amorphous silicates detected on Mars. Copyright 2007 by the American Geophysical Union.

  3. Infrared Spectroscopy of HOCl Embedded in Helium Nanodroplets

    NASA Astrophysics Data System (ADS)

    Raston, Paul; Kelloway, Donald; Jäger, Wolfgang

    2012-06-01

    The infrared depletion spectrum of hypochlorous acid (HOCl) embedded in superfluid helium nanodroplets has been measured in the region near 2.8 μm. The spectrum consists of baseline resolved a-type lines and a broad convoluted b-type feature. The a-type lines are asymmetrically skewed in the direction of the band origin, and an analysis of their line shapes based on the chirped damped oscillator function introduced by van Staveren and Apkarian yields a response time of the helium solvent of 1 ns. The b-type lines are much broader due to the greater number of droplet states available for relaxation of the excited rotational states. M. N. van Staveren, and V. A. Apkarian J. Chem. Phys., 132, 054506 (2010).

  4. Determination of total phenolic compounds in compost by infrared spectroscopy.

    PubMed

    Cascant, M M; Sisouane, M; Tahiri, S; Krati, M El; Cervera, M L; Garrigues, S; de la Guardia, M

    2016-06-01

    Middle and near infrared (MIR and NIR) were applied to determine the total phenolic compounds (TPC) content in compost samples based on models built by using partial least squares (PLS) regression. The multiplicative scatter correction, standard normal variate and first derivative were employed as spectra pretreatment, and the number of latent variable were optimized by leave-one-out cross-validation. The performance of PLS-ATR-MIR and PLS-DR-NIR models was evaluated according to root mean square error of cross validation and prediction (RMSECV and RMSEP), the coefficient of determination for prediction (Rpred(2)) and residual predictive deviation (RPD) being obtained for this latter values of 5.83 and 8.26 for MIR and NIR, respectively. PMID:27130128

  5. Infrared photodissociation spectroscopy of protonated neurotransmitters in the gas phase

    NASA Astrophysics Data System (ADS)

    MacLeod, N. A.; Simons, J. P.

    2007-03-01

    Protonated neurotransmitters have been produced in the gas phase via a novel photochemical scheme: complexes of the species of interest, 1-phenylethylamine, 2-amino-1-phenylethanol and the diastereo-isomers, ephedrine and pseudoephedrine, with a suitable proton donor, phenol (or indole), are produced in a supersonic expansion and ionized by resonant two photon ionization of the donor. Efficient proton transfer generates the protonated neurotransmitters, complexed to a phenoxy radical. Absorption of infrared radiation, and subsequent evaporation of the phenoxy tag, coupled with time of flight mass spectrometry, provides vibrational spectra of the protonated (and also hydrated) complexes for comparison with the results of quantum chemical computation. Comparison with the conformational structures of the neutral neurotransmitters (established previously) reveals the effect of protonation on their structure. The photochemical proton transfer strategy allows spectra to be recorded from individual laser shots and their quality compares favourably with that obtained using electro-spray or matrix assisted laser desorption ion sources.

  6. Multi-spectral infrared spectroscopy for robust plastic identification.

    PubMed

    Vázquez-Guardado, Abraham; Money, Mason; McKinney, Nathaniel; Chanda, Debashis

    2015-08-20

    The identification and classification of plastics plays an important role in waste management and recycling processes. Present electrical and optical sorting techniques lack the required resolution for accurate identification in a high throughput manner for a diverse set of plastics commonly found in municipal waste. In this work a multi-spectral infrared spectroscopic technique is employed to construct a unique fingerprint library of 12 plastic resin groups that are commonly encountered in municipal waste. We test the proposed method in a blind plastic identification experiment, which shows excellent unbiased identification accuracy. This simple optical technique in combination with the multi-spectral library will enable high throughput and accurate detection of various plastics from recovered solid waste. PMID:26368777

  7. Application of Fourier transform infrared spectroscopy to examination of documents

    NASA Astrophysics Data System (ADS)

    Zieba-Palus, Janina; Trzcinska, Beata

    1992-03-01

    Some 30 samples of writing and wrapping paper were examined using two techniques: transmission (as a KBr disc) and diffuse reflectance. About 15 blue ball pen ink samples were extracted directly from the document by means of a C2H5OH - CHCl3 mixture using an extraction apparatus which enables the separation of impurities (coming from a paper) from the extracted ball pen inks. Infrared spectra were measured on a Digilab Fourier transform spectrometer FTS-15 within the range 400 - 3800 cm-1. Statistical inference based on T2 Hotelling's test to assess the significance of differences observed in IR spectra of samples without examining the origin and essence of those differences was applied. The analysis of the spectral data was performed on a IBM-AT computer.

  8. Mid-Infrared Spectroscopy of 11 Main-Belt Asteroids

    NASA Astrophysics Data System (ADS)

    Takahashi, Jun; Itoh, Yoichi; Takahashi, Shigeru

    2011-06-01

    We present mid-infrared (8-13μm) spectra of 11 main-belt asteroids: 1 Ceres, 3 Juno, 7 Iris, 11 Parthenope, 20 Massalia, 24 Themis, 41 Daphne, 42 Isis, 44 Nysa, 67 Asia, and 88 Thisbe. This paper makes the first report on the mid-infrared spectrum for 5 asteroids. Our observation was conducted with Michelle on UKIRT. The modified Standard Thermal Model (STM) has provided a slightly better fit to the observed spectra than the model without any modification. For 1 Ceres, we detected an emission feature that surpasses the thermal continuum by 6.2±1.1%. For the other 10 asteroids, no feature has been detected above their observational errors. However, their S/N ratios are sufficient to only detect 6% emission excess. As the causes of the observed spectral distinction, we examine possible (1) chemical and (2) physical differences on the surfaces of the asteroids: (1) 1 Ceres has silicates with a lower degree of polymerization than do the other asteroids; (2a) the dominant grain size on 1 Ceres is nearer to 200μm, and probably smaller than that on the other asteroids; (2b) In addition, 1 Ceres has very small (<5μm) grains on its surface, while the other asteroids have grains that are moderately small, but larger than on 1 Ceres. In either case, the observed spectral distinctiveness of 1 Ceres, the largest asteroid, suggests that the properties of an asteroid surface may be correlated with the asteroid size.

  9. Multidimensional infrared spectroscopy reveals the vibrational and solvation dynamics of isoniazid

    NASA Astrophysics Data System (ADS)

    Shaw, Daniel J.; Adamczyk, Katrin; Frederix, Pim W. J. M.; Simpson, Niall; Robb, Kirsty; Greetham, Gregory M.; Towrie, Michael; Parker, Anthony W.; Hoskisson, Paul A.; Hunt, Neil T.

    2015-06-01

    The results of infrared spectroscopic investigations into the band assignments, vibrational relaxation, and solvation dynamics of the common anti-tuberculosis treatment Isoniazid (INH) are reported. INH is known to inhibit InhA, a 2-trans-enoyl-acyl carrier protein reductase enzyme responsible for the maintenance of cell walls in Mycobacterium tuberculosis but as new drug-resistant strains of the bacterium appear, next-generation therapeutics will be essential to combat the rise of the disease. Small molecules such as INH offer the potential for use as a biomolecular marker through which ultrafast multidimensional spectroscopies can probe drug binding and so inform design strategies but a complete characterization of the spectroscopy and dynamics of INH in solution is required to inform such activity. Infrared absorption spectroscopy, in combination with density functional theory calculations, is used to assign the vibrational modes of INH in the 1400-1700 cm-1 region of the infrared spectrum while ultrafast multidimensional spectroscopy measurements determine the vibrational relaxation dynamics and the effects of solvation via spectral diffusion of the carbonyl stretching vibrational mode. These results are discussed in the context of previous linear spectroscopy studies on solid-phase INH and its usefulness as a biomolecular probe.

  10. Multidimensional infrared spectroscopy reveals the vibrational and solvation dynamics of isoniazid.

    PubMed

    Shaw, Daniel J; Adamczyk, Katrin; Frederix, Pim W J M; Simpson, Niall; Robb, Kirsty; Greetham, Gregory M; Towrie, Michael; Parker, Anthony W; Hoskisson, Paul A; Hunt, Neil T

    2015-06-01

    The results of infrared spectroscopic investigations into the band assignments, vibrational relaxation, and solvation dynamics of the common anti-tuberculosis treatment Isoniazid (INH) are reported. INH is known to inhibit InhA, a 2-trans-enoyl-acyl carrier protein reductase enzyme responsible for the maintenance of cell walls in Mycobacterium tuberculosis but as new drug-resistant strains of the bacterium appear, next-generation therapeutics will be essential to combat the rise of the disease. Small molecules such as INH offer the potential for use as a biomolecular marker through which ultrafast multidimensional spectroscopies can probe drug binding and so inform design strategies but a complete characterization of the spectroscopy and dynamics of INH in solution is required to inform such activity. Infrared absorption spectroscopy, in combination with density functional theory calculations, is used to assign the vibrational modes of INH in the 1400-1700 cm(-1) region of the infrared spectrum while ultrafast multidimensional spectroscopy measurements determine the vibrational relaxation dynamics and the effects of solvation via spectral diffusion of the carbonyl stretching vibrational mode. These results are discussed in the context of previous linear spectroscopy studies on solid-phase INH and its usefulness as a biomolecular probe. PMID:26049421

  11. Portable microcontroller-based instrument for near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Giardini, Mario E.; Corti, Mario; Lago, Paolo; Gelmetti, Andrea

    2000-05-01

    Near IR Spectroscopy (NIRS) can be employed to noninvasively and continuously measure in-vivo local changes in haemodynamics and oxygenation of human tissues. In particular, the technique can be particularly useful for muscular functional monitoring. We present a portable NIRS research-grade acquisition system prototype, strictly dedicate to low-noise measurements during muscular exercise. The prototype is able to control four LED sources and a detector. Such a number of sources allows for multipoint measurements or for multi-wavelength spectroscopy of tissue constituents other than oxygen, such as cytochrome aa3 oxidation. The LEDs and the detector are mounted on separate probes, which carry also the relevant drivers and preamplifiers. By employing surface-mount technologies, probe size and weight are kept to a minimum. A single-chip mixed-signal RISC microcontroller performs source-to- detector multiplexing with a digital correlation technique. The acquired data are stored on an on-board 64 K EEPROM bank, and can be subsequently uploaded to a personal computer via serial port for further analysis. The resulting instrument is compact and lightweight. Preliminary test of the prototype on oxygen consumption during tourniquet- induced forearm ischaemia show adequate detectivity and time response.

  12. Analysis and identification of two reconstituted tobacco sheets by three-level infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Wu, Xian-xue; Xu, Chang-hua; Li, Ming; Sun, Su-qin; Li, Jin-ming; Dong, Wei

    2014-07-01

    Two kinds of reconstituted tobacco (RT) from France (RTF) and China (RTC) were analyzed and identified by a three-level infrared spectroscopy method (Fourier-transform infrared spectroscopy (FT-IR) coupled with second derivative infrared spectroscopy (SD-IR) and two-dimensional infrared correlation spectroscopy (2D-IR). The conventional IR spectra of RTF parallel samples were more consistent than those of RTC according to their overlapped parallel spectra and IR spectra correlation coefficients. FT-IR spectra of both two RTs were similar in holistic spectral profile except for small differences around 1430 cm-1, indicating that they have similar chemical constituents. By analysis of SD-IR spectra of RTFs and RTCs, more distinct fingerprint features, especially peaks at 1106 (1110), 1054 (1059) and 877 (874) cm-1, were disclosed. Even better reproducibility of five SD-IR spectra of RTF in 1750-1400 cm-1 could be seen intuitively from their stacked spectra and could be confirmed by further similarity evaluation of SD-IR spectra. Existence of calcium carbonate and calcium oxalate could be easily observed in two RTs by comparing their spectra with references. Furthermore, the 2D-IR spectra provided obvious, vivid and intuitive differences of RTF and RTC. Both two RTs had a pair of strong positive auto-peaks in 1600-1400 cm-1. Specifically, the autopeak at 1586 cm-1 in RTF was stronger than the one around 1421 cm-1, whereas the one at 1587 cm-1 in RTC was weaker than that at 1458 cm-1. Consequently, the RTs of two different brands were analyzed and identified thoroughly and RTF had better homogeneity than RTC. As a result, three-level infrared spectroscopy method has proved to be a simple, convenient and efficient method for rapid discrimination and homogeneousness estimation of RT.

  13. Compositional analysis of protein content in milk with near infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Bi, Weihong; Yang, Xiaoli; Li, Chao; Liu, Haiying

    2006-02-01

    A fast analytical method was introduced based on near-infrared (NIR) technology in this paper. The protein content was measured in short order using the near-infrared transmission spectroscopy (1000-1700nm) of milk. There were several waves of milk's NIR spectroscopy selected. By correlating the spectrum data of the waves selected and the protein content in milk, a calibration model was established. The protein content could be measured by importing the spectrum data to the calibration model. In this model there were several parameters, which were the spectrum data of the waves selected. Then, the method how to select the waves best was introduced and the characteristic waves of milk were selected by utilizing genetic algorithm. A partial least squares (PLS) regression model between the spectroscopy and the protein content was presented for milk samples, and the predictive repeatability was also researched.

  14. Identification of oil spills by near-infrared spectroscopy (NIR) and support vector machine (SVM)

    NASA Astrophysics Data System (ADS)

    Bi, Weihong; Tan, Ailing; Zhao, Yong; Gao, Meijing

    2009-11-01

    The identification of the spilled oil is an essential and important part in the investigation and handling of oil spill accidents. The combination of near-infrared spectroscopy (NIR) and chemometrics is ideal for such a situation. NIR spectroscopy is a powerful and effective technique and qualitative information can be obtained with classification models. Support vector machines (SVM) have been introduced recently in chemometrics and have proven to be powerful in NIR spectra classification tasks, such as material identification and food discrimination. In this work, the SVM is utilized to classify near infrared spectroscopy of simulated spilled oils of gasoline, diesel fuel and kerosene on the marine. A good classification performance is obtained :the identification rate were 100%, 96% and 98% on the test sets respectively.

  15. Evaluation of Fe, Mn promoted sulfated zirconia catalyst by x-ray and infrared spectroscopies

    SciTech Connect

    Tabora, J.E.; Davis, R.J.

    1995-12-01

    Sulfated zirconia promoted with Fe and Mn is two orders of magnitude more active than an unpromoted catalyst for butane isomerization at low temperature. In this work, the atomic structures of the unpromoted and promoted superacid catalysts were investigated using x-ray absorption spectroscopy at the Zr and Fe K-edges. In addition, infrared spectroscopy was used to probe the structure of the surface sulfate groups on the superacids. Infrared spectroscopy of adsorbed pyridine and carbon monoxide was also used to determine the types and strengths of acid sites on the two samples. Results indicated that Fe atoms do not substitute into tetragonal zirconia and that both Bronsted and Lewis acid sites were present on the materials. Furthermore, no obvious difference in acid strength was observed. Implications of these results for catalysis by zirconia-based superacids will be discussed.

  16. Ultravioret and Infrared Photodissociation Spectroscopy of Hydrated Anilinium Ion

    NASA Astrophysics Data System (ADS)

    Kurusu, Itaru; Yagi, Reona; Kasahara, Yasutoshi; Ishikawa, Haruki

    2015-06-01

    To understand the temperature effect on the microscopic hydration, we have been carrying out the laser spectroscopy of temperature-controlled hydrated phenol cation clusters using our temperature-variable ion trap apparatus. In the present study, we have chosen an anilinium ion (AnH^+) as a solute. Since the phenol cation has (π)-1 configuration, the phenyl ring does not play as a proton-acceptor. On the contrary, the π-orbitals in the AnH^+ are fulfilled and both the NH_3^+ and phenyl groups can behave as hydrogen-bonding sites. Thus, hydration structures around the AnH^+ are expected to be different from those of the phenol cation. Since there is no spectroscopic report on the hydrated AnH^+ clusters, we have carried out the UV and IR photodissociation spectroscopy of AnH^+(H_2O) clusters. In the present study, the AnH^+(H_2O) is produced by an electrospray ionization method. As the first step, spectroscopic measurements are carried out without temperature control. In the UV photodissociation spectrum, the 0-0 band appears at 36351 cm-1 which is red-shifted by 1863 cm-1 from that of the AnH^+ monomer. The band pattern is similar to that of the AnH^+ monomer. This indicates that the structure of the AnH^+ is not so affected by the single hydration. In the IR photodissociation spectrum, OH stretching band of the H_2O moiety and free NH stretching band of AnH^+ moiety are observed. Comparison with the results of the DFT calculation at M05-2X/6-31++G(d,p) level, we determined the structure of the AnH^+(H_2O) cluster. R.~Yagi, Y.~Kasahara, H.~Ishikawa, the 70th International Symposium on Molecular Spectroscopy (2015). H.~Ishikawa, T.~Nakano, T.~Eguchi, T.~Shibukawa, K.~Fuke Chem. Phys. Lett. 514, 234 (2011). G.~Féraud, et al. Phys. Chem. Chem. Phys. 16, 5250 (2014).

  17. Oscillatory Enzyme Dynamics Revealed by Two-Dimensional Infrared Spectroscopy.

    PubMed

    Pagano, Philip; Guo, Qi; Kohen, Amnon; Cheatum, Christopher M

    2016-07-01

    Enzymes move on a variety of length and time scales. While much is known about large structural fluctuations that impact binding of the substrates and release of products, little is known about faster motions of enzymes and how these motions may influence enzyme-catalyzed reactions. This Letter reports frequency fluctuations of the azide anion bound to the active site of formate dehydrogenase measured via 2D IR spectroscopy. These measurements reveal an underdamped oscillatory component to the frequency-frequency correlation function when the azide is bound to the NAD(+) ternary complex. This oscillation disappears when the reduced cofactor is added, indicating that the oscillating contributions most likely come from the charged nicotinamide ring. These oscillatory motions may be relevant to donor-acceptor distance sampling of the catalyzed hydride transfer and therefore may give future insights into the dynamic behavior involved in enzyme catalysis. PMID:27305279

  18. 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.

  19. Chinese vinegar classification via volatiles using long-optical-path infrared spectroscopy and chemometrics.

    PubMed

    Dong, D; Zheng, W; Jiao, L; Lang, Y; Zhao, X

    2016-03-01

    Different brands of Chinese vinegar are similar in appearance, color and aroma, making their discrimination difficult. The compositions and concentrations of the volatiles released from different vinegars vary by raw material and brewing process and thus offer a means to discriminate vinegars. In this study, we enhanced the detection sensitivity of the infrared spectrometer by extending its optical path. We measured the infrared spectra of the volatiles from 5 brands of Chinese vinegar and observed the spectral characteristics corresponding to alcohols, esters, acids, furfural, etc. Different brands of Chinese vinegar had obviously different infrared spectra and could be classified through chemometrics analysis. Furthermore, we established classification models and demonstrated their effectiveness for classifying different brands of vinegar. This study demonstrates that long-optical-path infrared spectroscopy has the ability to discriminate Chinese vinegars with the advantages that it is fast and non-destructive and eliminates the need for sampling. PMID:26471531

  20. A GAS TEMPERATURE PROFILE BY INFRARED EMISSION-ABSORPTION SPECTROSCOPY

    NASA Technical Reports Server (NTRS)

    Buchele, D. R.

    1994-01-01

    This computer program calculates the temperature profile of a flame or hot gas. Emphasis is on profiles found in jet engine or rocket engine exhaust streams containing water vapor or carbon dioxide as radiating gases. The temperature profile is assumed to be axisymmetric with a functional form controlled by two variable parameters. The parameters are calculated using measurements of gas radiation at two wavelengths in the infrared spectrum. Infrared emission and absorption measurements at two or more wavelengths provide a method of determining a gas temperature profile along a path through the gas by using a radiation source and receiver located outside the gas stream being measured. This permits simplified spectral scanning of a jet or rocket engine exhaust stream with the instrumentation outside the exhaust gas stream. This program provides an iterative-cyclic computation in which an initial assumed temperature profile is altered in shape until the computed emission and absorption agree, within specified limits, with the actual instrument measurements of emission and absorption. Temperature determination by experimental measurements of emission and absorption at two or more wavelengths is also provided by this program. Additionally, the program provides a technique for selecting the wavelengths to be used for determining the temperature profiles prior to the beginning of the experiment. By using this program feature, the experimenter has a higher probability of selecting wavelengths which will result in accurate temperature profile measurements. This program provides the user with a technique for determining whether this program will be sufficiently accurate for his particular application, as well as providing a means of finding the solution. The input to the program consists of four types of data: (1) computer program control constants, (2) measurements of gas radiance and transmittance at selected wavelengths, (3) tabulations from the literature of gas

  1. Sensitive Far-Infrared Survey Spectroscopy: Bliss For Spica

    NASA Astrophysics Data System (ADS)

    Bradford, Charles; BLISS-SPICA Study Team

    2009-01-01

    We present a concept for BLISS, a sensitive far-IR-submillimeter spectrograph for SPICA. SPICA is a JAXA-led mission featuring a 3.5-meter telescope actively cooled to below 5K, envisioned for launch in 2017. The low-background platform is especially compelling for moderate-resolution survey spectroscopy, for which BLISS is designed. The BLISS / SPICA combination will offer line sensitivities below 1e-20 W/m^2 in modest integrations, enabling rapid survey spectroscopy of galaxies out to redshift 5. The far-IR fine-structure and molecular transitions which BLISS / SPICA will measure are immune to dust extinction, and will unambiguously reveal these galaxies' redshifts, stellar and AGN contents, gas properties, and heavy-element abundances. Taken together, such spectra will reveal the history of of star formation and AGN activity in dusty galaxies from 1 GY after the Big Bang to the present day. BLISS is comprised of five sub-bands, each with two R 700 grating spectrometer modules. The modules are configured with polarizing and dichroic splitters to provide complete instantaneous spectral coverage in two sky positions. A chopping mirror modulates the source between these two sets of spectrometers. To approach background-limited performance with the cold telescope, BLISS detectors must have sensitivities below 1e-19 W/Hz^1/2, and the format is 10 arrays of several hundred pixels each. It is anticipated that these requirements can be met on SPICA's timescale with leg-isolated superconducting (TES) bolometers cooled with a 50 mK magnetic refrigerator.

  2. Near Infrared Spectroscopy of Active Galactic Nuclei Using FSpec

    NASA Astrophysics Data System (ADS)

    Frechem, Joshua; Pessev, Peter

    2015-01-01

    Using data from the 2.3 meter Bok telescope on Kitt Peak and the FRANKENSpec spectrograph, we aim to investigate the circumnuclear region of over twenty active galaxies in the J, H, and K passbands in order to obtain high signal to noise spectra with reasonable investment of observing time. The sample is selected to cover a wide range of AGN types of activity in luminous nearby galaxies. The primary goal of this project was to sort and process the 9,000+ spectra, including dark subtraction, flat fielding, and creation of and application of bad pixel masks. The 2-D spectra were processed to a 1-D spectra and wavelength calibrated to reveal the exact wavelength of each peak in the spectra. Using standard stars is of utmost importance so the atmospheric lines can be corrected for and the data can be used for precise analysis. With the reduced and calibrated spectra, we measure the Paschen α, β, and γ Hydrogen lines, the Brackett γ Hydrogen line and the FeII line in the near infrared emitted from the circumnuclear regions of the galaxies. These data unveil details of what the environment is like in the area surrounding the supermassive black holes that are found in the heart of each of these galaxies.

  3. Single- and multiphoton infrared laser spectroscopy of atomic negative ions

    NASA Astrophysics Data System (ADS)

    Scheer, Michael

    A pulsed, tunable infrared laser source (0.6-5.2 μm) has been developed on the basis of a commercial dye laser and non-linear optical conversion techniques. This laser source was combined with a keV negative ion beam apparatus in a crossed-beam geometry, with the aim to systematically study several atomic negative ions through a variety of single- and multiphoton detachment experiments. Photodetachment threshold spectra of 21 ionic species (B- , C-, O-, Al- , Si-, Cr-, Co- , Ni-, Cu-, Ge- , Mo-, Rh-, Pd- , Ag-, Sn-, Sb- , Te-, Cs-, Ir- , Pt-, and Bi-) have been recorded, in most cases resulting in very accurate determinations of ionic binding energies, marking substantial improvements over previous experimental values. In fact, several ionic states investigated here had not been observed previously. Different schemes for resonant multiphoton detachment of atomic negative ions were demonstrated for the first time. These studies were conducted with several anions (Si-, Sri- , Sb-, Te-, Ir- , and Pt-) providing highly accurate ionic energy level splittings and clearly demonstrating that multiphoton probes are generally applicable to negative ion structure.

  4. Quantitative Tissue Spectroscopy of Near Infrared Fluorescent Nanosensor Implants.

    PubMed

    Iverson, Nicole M; Bisker, Gili; Farias, Edgardo; Ivanov, Vsevolod; Ahn, Jiyoung; Wogan, Gerald N; Strano, Michael S

    2016-05-01

    Implantable, near infrared (nIR) fluorescent nanosensors are advantageous for in vivo monitoring of biological analytes since they can be rendered selective for a particular target molecule while utilizing their unique optical properties and the nIR tissue transparency window for information transfer without an internal power source or telemetry. However, basic questions remain regarding the optimal encapsulation platform, geometrical properties, and concentration ranges required for high signal to noise ratio and effective detection through biological tissue. In this work, we systematically explore these variables quantitatively to optimize the performance of such optical nanosensors for biomedical applications. We investigate both alginate and polyethylene glycol (PEG) as model hydrogel systems, encapsulating d(GT)15 ssDNA-wrapped single-walled carbon nanotubes (SWNT) as model fluorescent nanoparticle sensors, responsive to riboflavin. Hydrogel sensors implanted 0.5 mm into thick tissue samples exhibit 50% reduction of initial fluorescence intensity, allowing an optical detection limit of 5.4 mm and 5.1 mm depth in tissue for alginate and PEG gels, respectively, at a SWNT concentration of 10 mg L(-1), and 785 nm laser excitation of 80 mW and 30 s exposure. These findings are supported with in vivo nIR fluorescent imaging of SWNT hydrogels implanted subcutaneously in mice. For the case of SWNT, we find that the alginate system is preferable in terms of emission intensity, sensor response, rheological properties, and shelf life. PMID:27305824

  5. Thermal infrared spectroscopy and modeling of experimentally shocked basalts

    USGS Publications Warehouse

    Johnson, J. R.; Staid, M.I.; Kraft, M.D.

    2007-01-01

    New measurements of thermal infrared emission spectra (250-1400 cm-1; ???7-40 ??m) of experimentally shocked basalt and basaltic andesite (17-56 GPa) exhibit changes in spectral features with increasing pressure consistent with changes in the structure of plagioclase feldspars. Major spectral absorptions in unshocked rocks between 350-700 cm-1 (due to Si-O-Si octahedral bending vibrations) and between 1000-1250 cm-1 (due to Si-O antisymmetric stretch motions of the silica tetrahedra) transform at pressures >20-25 GPa to two broad spectral features centered near 950-1050 and 400-450 cm-1. Linear deconvolution models using spectral libraries composed of common mineral and glass spectra replicate the spectra of shocked basalt relatively well up to shock pressures of 20-25 GPa, above which model errors increase substantially, coincident with the onset of diaplectic glass formation in plagioclase. Inclusion of shocked feldspar spectra in the libraries improves fits for more highly shocked basalt. However, deconvolution models of the basaltic andesite select shocked feldspar end-members even for unshocked samples, likely caused by the higher primary glass content in the basaltic andesite sample.

  6. Diagnosis of mitochondrial diseases by near-infrared spectroscopy (NIRS)

    NASA Astrophysics Data System (ADS)

    Bank, William J.; Chance, Britton

    1995-05-01

    Disorders of mitochondrial metabolism are manifest by inordinate fatigue, weakness, as well as severe neuromuscular disorders. Diagnosis has required pathologic findings on muscle biopsy and identification of biochemical defects in mitochondrial respiration. NIRS, a noninvasive optical technique, permits the quantitative measurement of changes in blood volume and tissue oxygenation in vivo, at rest, during exercise, and post-exercise recovery. The dual wavelength spectrophotometer consists of an optic probe with 2 lights appropriate for red light emission. Interference filters select the wavelengths, 760 to 850 nm, appropriate to the broad bands of hemoglobin, in conjunction with silicon detectors sensitive to this infrared spectrum. In all normal test subjects, the blood volume tracing demonstrated a decreased blood volume normally seen in exercising muscle. The increase of absorbance at 760 nm, with respect to absorbance at 850 nm, reflects deoxygenation of hemoglobin and occurred promptly at the start of exercise. At the end of exercise, oxygenation returned to baseline accompanied by hyperemia. Four patients with known disorders of mitochondrial metabolism demonstrated a paradoxical oxygenation during exercise that returned to baseline at the end of exercise. Increased oxygen supplied by a normal cardiopulmonary response to exercise is not utilized and results in a pardoxical oxygenation during exercise. This simple, noninvasive technique permits an accurate measurement of oxygen utilization in the exercising limb and is a useful clinical tool in screening patients for disorders of mitochondrial metabolism.

  7. Femtosecond infrared spectroscopy and molecular dynamics (Abstract Only)

    NASA Astrophysics Data System (ADS)

    Hochstrasser, Robin M.

    1991-05-01

    We recently developed a very sensitive infrared detector having a time response of Ca. 200 fs. The principle involves gating the JR by means of upconversion in a nonlinear crystal. The gating pulse is obtained from a fs dye laser operating at ca. 1 kllz. By means of this device it was possible to determine intensity changes of ca. i:iO in a CW diode or CO laser beam. As a result transient JR studies of moderate vibrational transitions such as found for the carbon monoxide, has been possible at Ca. 200 fs time resolution. The transient JR spectra of samples perturbed by both visible (or UV) and JR pulses has now been accomplished. The 1 kllz source ofshort JR pulses originates from a parametric amplifier pumped by halfthe output ofa regenerative amplifier system that is freguency doubled in KTP. The idler consists of a synchronously pumped dye laser amplified by the other half of the regen output. Experiments using either optical or JR pumping along with JR probing will be reported for a variety of systems including metal carbonyls and hemoproteins. The photofragments, free CO, vibrational energy relaxation and excited states of the organometallics are simultaneously studied. Recent work on molecular reorientation dynamics and determination of transition moment directions using JR/JR probing will be presented.

  8. Argon hydrochloride, Ar.HCl, bond energy by infrared spectroscopy

    NASA Technical Reports Server (NTRS)

    Miziolek, A. W.; Pimentel, G. C.

    1976-01-01

    The infrared absorption of argon (200 to 760 torr) and hydrogen chloride (2 to 6 torr) mixtures is reexamined in the missing Q branch region (spectral region between 2860 and 3010 wavelength/cm) at temperatures ranging from 195 to 298 K. The temperature dependence of two absorption features of the argon hydrogen chloride complex, at 2887 and 2879 wavelength/cm, leads to a bond energy estimate that depends on the assumptions made about the internal degrees of freedom of the complex. It is shown that agreement with experiment can be reached for well depths near 1.2 kcal/mole. This result is relatively insensitive to the choice of the vibrational frequencies and anharmonicities, but does depend on the extent to which the energy level manifolds are truncated to avoid molecular excitation in excess of the bond energy. The bond energy is found to deviate from the commonly accepted value of 0.4 kcal/mole. Possible causes for the discrepancy are considered.

  9. Predicting beef tenderness using near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Jeyamkondan, Subbiah; Kranzler, Glenn A.; Morgan, Brad J.; Rust, Sarah

    2004-03-01

    A near-infrared spectral reflectance system was developed and tested online to predict 14-day aged, cooked beef tenderness. A contact probe with a built-in tungsten-halogen light source supplied broadband light to the ribeye surface. Fiberoptics in the probe transmitted reflected light to a spectrometer with a spectral range of 400-2500 nm. In the first phase, steak samples (n=292) were brought from packing plants to the lab and scanned with the spectrometer. After scanning, samples were vacuum-packaged and aged for 14 days. They were then cooked in an impingement oven to an internal temperature of 70°C. Slice-shear force values were recorded for tenderness reference. In phase two, the spectrometer was modified for packing plant conditions. Spectral scans were obtained on-line on ribbed carcasses (n=276). A partial least square regression model was developed to predict tenderness scores from spectral reflectance. In phase three, the developed model was validated by scanning carcasses (n=200) on-line. The predicted shear-force values and samples were sent to the U.S. Meat Animal Research Center for third-party validation. At up to 70% certification levels, the system was able to successfully sort tough from tender carcasses.

  10. Infrared emission spectroscopy of atmospheric-pressure ball plasmoids

    NASA Astrophysics Data System (ADS)

    Dubowsky, Scott E.; Deutsch, Bradley; Bhargava, Rohit; McCall, Benjamin J.

    2016-04-01

    We report the first (to our knowledge) infrared emission spectra collected from water-based laboratory ball plasmoid discharges. A "ball plasmoid" results from a unique type of pulsed DC plasma discharge in which a sphere of plasma is seen to grow and eventually separate from a central electrode and last for a few hundred milliseconds without an external power source before dissipating. Typical recombination rates for plasmas at ambient conditions are on the order of a millisecond or less, however ball plasmoids have been observed to last a few hundred milliseconds, and there is no explanation in the literature that fully accounts for this large discrepancy in lifetime. The spectra are dominated by emission from water and from hydroxyl radical; PGOPHER was used to fit the experimental spectra to extract rotational temperatures for these molecules. The temperatures of the bending and stretching modes of H2O were determined to be 1900 ± 300 K and 2400 ± 400 K, respectively and the rotational temperature of OH was found to be 9200 ± 1500 K.

  11. Infrared spectroscopy of solid CO - The Rho Ophiuchi molecular cloud

    NASA Astrophysics Data System (ADS)

    Kerr, T. H.; Adamson, A. J.; Whittet, D. C. B.

    1993-06-01

    Infrared spectra centered on the solid CO feature at 4.76 microns are presented for seven embedded objects in the Rho Oph molecular cloud. Synthetic spectra based on laboratory data for various ice mixtures containing CO are compared with the observations, in an attempt to constrain the abundances of both CO and other grain mantle constituents. The profiles indicate that the CO is embedded in only two types of matrix: pure (or nearly pure) CO, and H2O. A large abundance of CO2 mixed with CO in the mantles is ruled out. There are at least two components to the absorption in most cases, attributed to two or more different grain environments. Column densities of solid CO in these regions are presented, along with upper limits on the depth of the CO feature for a further eight lines of sight in the cloud. The features reflect varying physical and chemical conditions within the Rho Oph cloud. The composite features are fundamentally different within current observational limits from those seen in the Taurus dark cloud.

  12. Analysis of crystallized lactose in milk powder by Fourier-transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2010-06-01

    Infrared (IR) spectroscopy is used in combination with two-dimensional (2D) correlation IR spectroscopy to conduct rapid non-destructive quantitative research in milk powder without additional separation steps. The experiments conducted in both FT-IR and 2D FT-IR spectra suggest that characteristic spectroscopic features of milk powder containing different carbohydrate can be detected, and then determine the type of carbohydrate. To predict the approximate content of lactose while the carbohydrate is lactose, different amount of crystallized lactose has been added to the reference milk powder. The correlation coefficient could be used to determine the content of crystallized lactose in milk powder. The method provides a rapid and convenient means for assessing the quality of milk powder.

  13. Identification of different forms of cocaine and substances used in adulteration using near-infrared Raman spectroscopy and infrared absorption spectroscopy.

    PubMed

    Penido, Ciro A F O; Pacheco, Marcos Tadeu T; Zângaro, Renato A; Silveira, Landulfo

    2015-01-01

    Identification of cocaine and subsequent quantification immediately after seizure are problems for the police in developing countries such as Brazil. This work proposes a comparison between the Raman and FT-IR techniques as methods to identify cocaine, the adulterants used to increase volume, and possible degradation products in samples seized by the police. Near-infrared Raman spectra (785 nm excitation, 10 sec exposure time) and FT-IR-ATR spectra were obtained from different samples of street cocaine and some substances commonly used as adulterants. Freebase powder, hydrochloride powder, and crack rock can be distinguished by both Raman and FT-IR spectroscopies, revealing differences in their chemical structure. Most of the samples showed characteristic peaks of degradation products such as benzoylecgonine and benzoic acid, and some presented evidence of adulteration with aluminum sulfate and sodium carbonate. Raman spectroscopy is better than FT-IR for identifying benzoic acid and inorganic adulterants in cocaine. PMID:25428273

  14. 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

  15. Hollow core fiber optics for mid-wave and long-wave infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Kriesel, Jason M.; Gat, Nahum; Bernacki, Bruce E.; Erikson, Rebecca L.; Cannon, Bret D.; Myers, Tanya L.; Bledt, Carlos M.; Harrington, James A.

    2011-05-01

    We describe the development and testing of hollow core glass waveguides (i.e., fiber optics) for use in Mid-Wave Infrared (MWIR) and Long-Wave Infrared (LWIR) spectroscopy systems. Spectroscopy measurements in these wavelength regions (i.e., from 3 to 14 μm) are useful for detecting trace chemical compounds for a variety of security and defense related applications, and fiber optics are a key enabling technology needed to improve the utility and effectiveness of detection and calibration systems. Hollow glass fibers have the advantage over solid-core fibers (e.g., chalcogenide) in that they are less fragile, do not produce cladding modes, do not require angle cleaving or antireflection coatings to minimize laser feedback effects, and effectively transmit deeper into the infrared. This paper focuses on recent developments in hollow fiber technology geared specifically for infrared spectroscopy, including single mode beam delivery with relatively low bending loss. Results are presented from tests conducted using both Quantum Cascade Lasers (QCL) and CO2 lasers operating in the LWIR wavelength regime. Single-mode waveguides are shown to effectively deliver beams with relatively low loss (~ 1 dB/m) and relatively high beam quality. The fibers are also shown to effectively mode-filter the "raw" multi-mode output from a QCL, in effect damping out the higher order modes to produce a circularly symmetric Gaussian-like beam profile.

  16. Near Infrared Spectroscopy of B-type Asteroids

    NASA Astrophysics Data System (ADS)

    Yang, Bin; Jewitt, D.

    2009-09-01

    Most small bodies in the Solar system possess optical colors that are either redder than, or comparable to, the Solar colors in the wavelength region from 0.4 to 0.9 µm. However, a small fraction, about 1 out of every 23 asteroids, is found to be bluer than the Sun. These rare, blue asteroids, of which 2 Pallas is the largest and most famous example, are classified as B-types in the Bus spectral taxonomy. The paucity of B-types already makes these objects interesting. Moreover, several meteor shower-associated asteroids (e.g. 3200 Phaethon, 2005 UD) are found to be blue in the optical. Furthermore, the available optical spectra of the main belt comets 133P and 176P are similar to those of the B-type asteroids. However, B-type asteroids remain largely unexamined as a group and our knowledge of their properties is correspondingly limited. For this reason, we undertook a focused, spectroscopic study of 20 B-type asteroids using the 3-meter IRTF telescope atop Mauna Kea, Hawaii. The spectra show that optically similar B-type asteroids are spectrally diverse in the near infrared. We find that the negative optical spectral slope is due to the presence of a broad absorption band centered near 1.0 µm. Amongst the meteorites, the best spectral analogs are found in the unusual CI and CM carbonaceous chondrites. The 1.0 µm absorption feature in several objects is very well matched by the reflection spectrum of magnetite. We will present our observations of the 20 B-type asteroids and discuss the possible aqueous alteration history of these objects.

  17. Infrared Spectroscopy of Parent Volatiles in Comets: Implications for Astrobiology

    NASA Technical Reports Server (NTRS)

    DiSanti, Michael A.

    2010-01-01

    Current cometary orbits provide information on their recent dynamical history. However, determining a given comet's formation region from its current dynamical state alone is complicated by radial migration in the proto-planetary disk and by dynamical interactions with the growing giant planets. Because comets reside for long periods of time in the outer Solar System, the ices contained in their nuclei (native ices) retain a relatively well-preserved footprint of when and where they formed, and this in turn can provide clues to conditions in the formation epoch. As a comet approaches the Sun, sublimation of its native ices releases parent volatiles into the coma where they can be measured spectroscopically. The past to - 15 years have seen the advent of infrared spectrometers with high sensitivity between about 2.8 and 5.0 micron, enabling a taxonomy among comets based on abundances of parent volatiles (e.g., H2O, CO, CH4, C2H6, HCN, CH30H, H2CO, NH3). Such molecules are of keen interest to Astrobiology, as they include important pre-biotic species that likely were required for the emergence of life on Earth and perhaps elsewhere. Approximately 20 comets have thus far been characterized, beginning with C/1996 82 (Hyakutake) in 1996. Molecular production rates are established through comparison of observed emission line intensities with those predicted by quantum mechanical fluorescence models. Abundances of parent volatiles (relative to H2O) vary among even the relatively small number of comets sampled, with the most volatile species (CO and CH4) displaying the largest variations. Techniques developed for measuring parent volatile abundances in comets will be discussed, as will possible implications for their formation.

  18. Far infrared spectroscopy of star formation regions in M82

    NASA Technical Reports Server (NTRS)

    Duffy, P. B.; Erickson, E. F.; Haas, M. R.; Houck, J. R.

    1986-01-01

    Emission lines of (O III) at 52 microns and 88 microns and of (N III) at 57 microns in the nucleus of the galaxy M82 have been observed from the Kuiper Airborne Observatory with the facility's cooled grating spectrometer. The (N III) line has not been previously detected in any extragalactic source. The fluxes in the lines indicate approx 4 x 10 to the 7th power M of ionized gas and a large population of massive stars (equivalent to 5 x 10 to the 5th power 08.5 stars), sufficient to power the infrared luminosity of the nucleus. We use the 52 to 88 micron line intensity ratio to find an average electron density of 210 + or 75 in the nucleus; this is 10 to 100 times lower than values typically observed in individual compact HII regions in our Galaxy. The relative line strengths of the (O III) and (N III) lines imply an N(++)/O(++) ratio of 0.45 + or - 0.1, significantly lower than is measured by the same method in individual HII regions at similar galactocentric distances (equal to or less than 400 pc) in our Galaxy. This lower N(++)/O(++) ratio may be due to a lower N/O ratio, higher stellar temperatures, or both, in M82. At spectral resolutions of approx. 90 km/s, all three line profiles are similarly asymmetric. They can be well fitted by two Gaussian distributions with widths of approx. 150 km/s and central velocities of approx. 110 and approx. 295 km/s, bracketing the systemic velocity of the nucleus of approx. 210 km/s. Within uncertainties, both the N(++)/O(++) ratio and the electron density are the same for both Gaussian components; this indicates no major large-scale gradient in either quantity within the nucleus.

  19. Identification and discrimination of bacteria using Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Maity, Jyoti Prakash; Kar, Sandeep; Lin, Chao-Ming; Chen, Chen-Yen; Chang, Young-Fo; Jean, Jiin-Shuh; Kulp, Thomas R.

    2013-12-01

    Bacterial spectra were obtained in the wavenumber range of 4000-600 cm-1 using FTIR spectroscopy. FTIR spectral patterns were analyzed and matched with 16S-rRNA signatures of bacterial strains OS1 and OS2, isolated from oil sludge. Specific spectral bands obtained from OS1 (FJ226761), reference strain Bacillus flexus (ATCC 49095), OS2 (FJ215874) and reference strain Stenotrophomonas maltophilia (ATCC 19861) respectively, suggested that OS1 and ATCC 49095 were closely related whereas OS2 was different. The bands probably represent groups of proteins and lipids of specific bacteria. Separate peaks found in B. flexus were similar to those of OS1. The S. maltophilia (ATCC 19861) and OS2 exhibited a similar peak at 3272 cm-1. Amide bands (I, II and III) exhibited that OS1 and B. flexus were closely related, but were different from OS2. In the fingerprint region, peak at 1096 cm-1 and 1360 cm-1 exhibited the specific fingerprints of OS2 and reference strain S. maltophilia (ATCC 19861), respectively. The specific fingerprint signature was found at 1339 cm-1 for OS1 and at 1382 cm-1 for B. flexus ATCC 49095, allowing these two strains of B. flexus to be differentiated. This spectral signature originated from phospholipid and RNA components of the cell. Principle components analysis (PCA) of spectral regions exhibited with distinct sample clusters between Bacillus flexus (ATCC 49095), S. maltophilia (ATCC 19861), OS1 and OS2 in amide and fingerprint region.

  20. Infrared Spectroscopy in Cancer Diagnosis and Chemotherapy Monitoring

    NASA Astrophysics Data System (ADS)

    Tolstorozhev, G. B.; Bel'kov, M. V.; Skornyakov, I. V.; Butra, V. A.; Pekhnyo, V. I.; Kozachkova, A. N.; Tsarik, N. I.; Kutsenko, I. P.; Sharykina, N. I.

    2014-07-01

    We demonstrate that IR spectroscopic analysis can be used in diagnosis and chemotherapy monitoring for cancers of various organs at the molecular level. We used Fourier transform IR spectroscopy to study human breast and thyroid tumor tissues which were removed during surgery. The characteristic frequencies of C = O stretching vibrations in the IR spectra of tissues of pathological foci were compared with data from histological examination. In the IR spectra of healthy tissues or for benign tumors, the most intense absorption bands ν(C = O) are located in the interval 1675-1650 cm-1. When malignant neoplasms are present in the organs, the intensity of the bands in this range of the spectrum is reduced, while the intensities of the absorption bands in the 1710-1680 cm-1 interval increase. We also studied lung tissue for mice of the C57B1/6 line for healthy tissue and after implantation of B-16 melanoma tumor. The IR spectra of healthy mouse lung tissue and mouse lung tissue with B-16 melanoma metastases in the region of the C = O stretching vibrations display the same differences. We found that when lung malignancy was treated with the optimal dose of a synthesized drug based on palladium complexes of methylenediphosphonic acid, the spectroscopic signs of the presence of metastases in the lungs disappear, and the IR spectrum of the lung tissue after treatment practically coincides with the spectrum of healthy lung tissue.

  1. [Influence of silver/silicon dioxide on infrared absorption spectroscopy of sodium nitrate].

    PubMed

    Yang, Shi-Ling; Yue, Li; Jia, Zhi-Jun

    2014-09-01

    Quickly detecting of ocean nutrient was one important task in marine pollution monitoring. We discovered the application of surface-enhanced infrared absorption spectroscopy in the detection of ocean nutrient through researching the evaporation of sodium nitrate solution. The silicon dioxide (SiO2) with highly dispersion was prepared by Stober method, The silver/silica (Ag/SiO2) composite materials were prepared by mixing ammonia solution and silicon dioxide aqueous solution. Three kinds of composite materials with different surface morphology were fabricated through optimizing the experimental parameter and changing the experimental process. The surface morphology, crystal orientation and surface plasmon resonance were investigated by means of the scanning electronic microscope (SEM), X-ray diffraction (XRD), UV-Visible absorption spectrum and infrared ab- sorption spectroscopy. The SEM images showed that the sample A was purified SiO2, sample B and sample C were mixture of silver nanoparticle and silicon dioxide, while sample D was completed nanoshell structure. The absorption spectroscopy showed that there was surface plasmon resonance in the UV-visible region, while there was possibility of surface plasmon resonance in the Infrared absorption region. The effect of Ag/SiO2 composite material on the infrared absorption spectra of sodium nitrite solution was investigated through systematically analyzing the infrared absorption spectroscopy of sodium nitrate solution during its evaporation, i. e. the peak integration area of nitrate and the peak integration area of water molecule. The experimental results show that the integration area of nitrate was enhanced greatly during the evaporation process while the integration area of water molecule decreased continuously. The integration area of nitrate comes from the anti-symmetric stretch vibration and the enhancement of the vibration is attributed to the interface effect of Ag/SiO2 which is consistent with Jensen T

  2. Evaluation of thermal stability of indinavir sulphate using diffuse reflectance infrared spectroscopy.

    PubMed

    Singh, Parul; Premkumar, L; Mehrotra, Ranjana; Kandpal, H C; Bakhshi, A K

    2008-06-01

    Indinavir sulphate is a potent and specific protease inhibitor of human immunodeficiency virus (HIV). It is used for the treatment of acquired immune deficiency syndrome (AIDS). At elevated temperature the drug which otherwise remains crystalline undergoes a phase transition to an amorphous phase to form degradation products. In the present study, thermal stability of indinavir sulphate is evaluated using diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy. Infrared spectra of the drug before and after the exposure to thermal radiation at different temperatures were acquired in the diffuse reflectance mode using a Fourier transform infrared (FTIR) spectrophotometer. The differential scanning calorimetry (DSC) and the X-ray diffraction (XRD) studies were used as complimentary techniques to adequately implement and assist the interpretation of the infrared spectroscopy results. The DRIFT spectra reveal that the drug remains stable up to 100 degrees C, degrades slightly at 125 degrees C and undergoes complete degradation at about 150 degrees C to produce degradation products. The degradation products can easily be characterized using the infrared spectra. PMID:18280078

  3. Quantitative analysis of sulfathiazole polymorphs in ternary mixtures by attenuated total reflectance infrared, near-infrared and Raman spectroscopy.

    PubMed

    Hu, Yun; Erxleben, Andrea; Ryder, Alan G; McArdle, Patrick

    2010-11-01

    The simultaneous quantitative analysis of sulfathiazole polymorphs (forms I, III and V) in ternary mixtures by attenuated total reflectance-infrared (ATR-IR), near-infrared (NIR) and Raman spectroscopy combined with multivariate analysis is reported. To reduce the effect of systematic variations, four different data pre-processing methods; multiplicative scatter correction (MSC), standard normal variate (SNV), first and second derivatives, were applied and their performance was evaluated using their prediction errors. It was possible to derive a reliable calibration model for the three polymorphic forms, in powder ternary mixtures, using a partial least squares (PLS) algorithm with SNV pre-processing, which predicted the concentration of polymorphs I, III and V. Root mean square errors of prediction (RMSEP) for ATR-IR spectra were 5.0%, 5.1% and 4.5% for polymorphs I, III and V, respectively, while NIR spectra had a RMSEP of 2.0%, 2.9%, and 2.8% and Raman spectra had a RMSEP of 3.5%, 4.1%, and 3.6% for polymorphs I, III and V, respectively. NIR spectroscopy exhibits the smallest analytical error, higher accuracy and robustness. When these advantages are combined with the greater convenience of NIR's "in glass bottle" sampling method both ATR-IR and Raman methods appear less attractive. PMID:20605386

  4. Far-Infrared Spectroscopy of Planetary Nebulae with the KAO

    NASA Technical Reports Server (NTRS)

    Rubin, Robert H.; Colgan, S.; Haas, M. R.; Lord, S. D.; Simpson, Janet P.

    1996-01-01

    We present new far-infrared line observations of the planetary nebulae (PNs) NGC 7027, NGC 7009, and NGC 6210 obtained with the Kuiper Airborne Observatory (KAO). The bulk of our data are for NGC 7027 and NGC 7009, including [Ne(V)] 24 micrometers, [O(IV)] 26 micrometers, [O(III)] (52, 88) micrometers, and [N(III)] 57 micrometers. Our data for [O(III)] (52, 88) and [N(III)] 57 in NGC 7027 represent the first measurements of these lines in this source. The large [O(III)] 52/88-micrometer flux ratio implies an electron density (cubic cm) of log N(sub e)[O(III)] = 4.19, the largest Ne ever inferred from these lines. We derive N(++)/O(++) = 0.394 +/- 0.062 for NGC 7027 and 0.179 +/- 0.043 for NGC 6210. We are able to infer the O(+3)/O(++) ionic ratio from our data. As gauged by this ionic ratio, NGC 7027 is substantially higher ionization than is NGC 7009 - consistent with our observation that the former produces copious [Ne(V)] emission while the latter does not. These data help characterize the stellar ionizing radiation field. From our [O(IV)] and [O(III)] fluxes, we are able to show that O(++) is by far the dominant oxygen ion in NGC 7009. As a result, the O/H abundance inferred using these data tends to corroborate the value found from UV/optical, collisionally excited lines. We determined accurate rest wavelengths for the [Ne(V)] 2s(2)2p(2)P(sub 1) to 2s(2)2p(2)3P(sub 0) (lambda(sub rest) = 24.316 +/- 0.008 micrometers) and [O(IV)] 2s(2)2p(2)P(sup 0, sub 3/2) to 2s(2)2p(2)P(sup 0, sub 1/2) (lambda(sub rest) = 25.887 +/- 0.007 micrometers) transitions from observations of one or both of the bright PNs NGC 7027 and NGC 7009. Our [O(IV)] value, to the best of our knowledge, is the most accurate direct determination of this lambda(sub rest). These new KAO data will be beneficial for comparison with ISO observations of these PNs.

  5. High-resolution subtyping of Staphylococcus aureus strains by means of Fourier-transform infrared spectroscopy.

    PubMed

    Johler, Sophia; Stephan, Roger; Althaus, Denise; Ehling-Schulz, Monika; Grunert, Tom

    2016-05-01

    Staphylococcus aureus causes a variety of serious illnesses in humans and animals. Subtyping of S. aureus isolates plays a crucial role in epidemiological investigations. Metabolic fingerprinting by Fourier-transform infrared (FTIR) spectroscopy is commonly used to identify microbes at species as well as subspecies level. In this study, we aimed to assess the suitability of FTIR spectroscopy as a tool for S. aureus subtyping. To this end, we compared the subtyping performance of FTIR spectroscopy to other subtyping methods such as pulsed field gel electrophoresis (PFGE) and spa typing in a blinded experimental setup and investigated the ability of FTIR spectroscopy for identifying S. aureus clonal complexes (CC). A total of 70 S. aureus strains from human, animal, and food sources were selected, for which clonal complexes and a unique virulence and resistance gene pattern had been determined by DNA microarray analysis. FTIR spectral analysis resulted in high discriminatory power similar as obtained by spa typing and PFGE. High directional concordance was found between FTIR spectroscopy based subtypes and capsular polysaccharide expression detected by FTIR spectroscopy and the cap specific locus, reflecting strain specific expression of capsular polysaccharides and/or other surface glycopolymers, such as wall teichoic acid, peptidoglycane, and lipoteichoic acid. Supervised chemometrics showed only limited possibilities for differentiation of S. aureus CC by FTIR spectroscopy with the exception of CC45 and CC705. In conclusion, FTIR spectroscopy represents a valuable tool for S. aureus subtyping, which complements current molecular and proteomic strain typing. PMID:27021524

  6. Age dependency of cerebral oxygenation assessed with near infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Colier, Willy N.; van Haaren, Nicole J.; van de Ven, Marjo J.; Folgering, Hans T.; Oeseburg, Berend

    1997-04-01

    Near-IR spectroscopy (NIRS) is an optical technique that provides information on cerebral tissue oxygenation and hemodynamics on a continuous, direct, and noninvasive basis. It is used to determine cerebral blood volume (CBV) and cerebrovascular CO2 reactivity during normoxic hyper- and hypocapnia in a group of 28 healthy volunteers aged 20 to 83 years. The main focus is on to the age dependency of the measured variables. The influence of changes in minute ventilation during normocapnia on the cerebral oxygenation was also studied. The mean CBV in age was, for 20 to 30 years, 2.14 +/- 0.51 ml/100 g of brain tissue; for 45 to 50 years, 1.92 +/- 0.40 ml/100 g; and for 70 to 83 years, 1.47 +/- 0.55 ml/100 g. The CBV showed a significant decease with advancing age. No influence was found for a change in minute ventilation on cerebral oxygenation. During hypercapnia cerebral blood flow (CBF) significantly increased in al age groups, with a factor of 1.31 +/- 0.17 kPa-1, 1.64 +/- 1.39 kPa-1, and 2.4 +/- 1.7 kPa-1, respectively, for the three age groups. The difference in change among the age groups was not statistically significant. The trend seen was an increased change in CBF with advancing age. During hypocapnia, the CBF significantly decreased in all age groups, with a factor of 0.89 +/- 0.08 kPa-1, 0.89 +/- 0.04 kPa-1, and 0.85 +/- 0.11 kPa-1, respectively. There was no significant difference among the age groups.

  7. Intensity-modulated near-infrared spectroscopy: instrument design issues

    NASA Astrophysics Data System (ADS)

    Alford, Ken; Wickramasinghe, Yappa A.

    2000-05-01

    Tissue oxygenation instruments which rely on phase sensitive detection suffer form phase-amplitude crosstalk, i.e. the phase of the detected signal with respect to a reference signal is dependent on the average intensity of the light entering the photomultiplier tube (PMT). If an instrument that detects the phase of the scattered signal is to yield the phase accuracy required in order to provide useful clinical parameters, quantitative haemoglobin and oxy- haemoglobin concentrations (Hb), and (HbO2) and mixed arterial-venous saturation all sources of phase-amplitude effects must be understood. The phase-amplitude effect has in the past been attributed to the fact that the rise time of the detector decreases with increasing light intensity. In this work an additional phase-amplitude effect in intensity modulated near IR spectroscopy (IMNIRS) instrumentation is studied. The presence of a coherent interfering signal due to low level RF coupling at the detector output will corrupt the phase of the signal of interest and cause a phase-amplitude effect. Under certain conditions a relatively low level interfering RF signal can introduce a significant error in the slope of the phase per unit distance plot. A comparison between measured and modeled phase distortion is presented and ways to reduce the effect discussed. In addition to phase-amplitude effects, the final accuracy of the quantitative measurements made by an IMNIRS instrument depends heavily on the calibration. Calibration of the measured phase and the AC and DC components of the detected light must take into account distortions due to, (a) phase-amplitude crosstalk and system phase offset, (b) detector non-linearities, (c) variation in laser source intensity and phase with time and temperature, (d) optical probe light loss and (e) variations in detector sensitivity. Current instrument performance will be presented and discussed.

  8. Infrared Spectroscopy of Transition Metal-Molecular interactions in the Gas Phase

    SciTech Connect

    Duncan, Michael A.

    2008-11-14

    Transition metal-molecular complexes produced in a molecular beam are mass-selected and studied with infrared laser photodissociation spectroscopy. Metal complexes with carbon monoxide, carbon dioxide, nitrogen, water, acetylene or benzene are studied for a variety of metals. The number and intensity of infrared active bands are compared to the predictions of density functional theory calculations to derive structures, spin states and coordination numbers in these systems. These studied provide new insights into subtle details of metal-molecular interactions important in heterogeneous catalysis, metal-ligand bonding and metal ion solvation.

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

    NASA Astrophysics Data System (ADS)

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

    1997-03-01

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

  10. [Analysis of different parts of scorpio by Fourier transform infrared spectroscopy].

    PubMed

    Zhang, Sheng-Jun; Xu, Chang-Hua; Chen, Jian-Bo; Zhou, Qun; Sun, Su-Qin

    2011-10-01

    Fourier transform infrared (FTIR) spectroscopy and second derivative IR spectroscopy were applied to analyze and evaluate different parts of Scorpio. The second derivative IR spectra show clear differences while the origin spectra are quite similar. It was found that proteins are the dominant components in each part and the tail has distinct proteins compared to the others; fats are mainly stored in the trunk; sulfates are ubiquitous in all parts. Interestingly, the back part of the trunk of degenerative Scorpio contains some purine. It was demonstrated that FTIR spectroscopy integrated with second derivative IR spectroscopy not only can offer a fast, comprehensive and objective methodology for analyzing and evaluating the micro-differences among the various parts of same medicinal materials, but also can provide a rational guidance for medicinal and pharmacological studies. PMID:22250541

  11. Food Safety Evaluation Based on Near Infrared Spectroscopy and Imaging: A Review.

    PubMed

    Fu, Xiaping; Ying, Yibin

    2016-08-17

    In recent years, due to the increasing consciousness of food safety and human health, much progress has been made in developing rapid and nondestructive techniques for the evaluation of food hazards, food authentication, and traceability. Near infrared (NIR) spectroscopy and imaging techniques have gained wide acceptance in many fields because of their advantages over other analytical techniques. Following a brief introduction of NIR spectroscopy and imaging basics, this review mainly focuses on recent NIR spectroscopy and imaging applications for food safety evaluation, including (1) chemical hazards detection; (2) microbiological hazards detection; (3) physical hazards detection; (4) new technology-induced food safety concerns; and (5) food traceability. The review shows NIR spectroscopy and imaging to be effective tools that will play indispensable roles for food safety evaluation. In addition, on-line/real-time applications of these techniques promise to be a huge growth field in the near future. PMID:24972267

  12. Identification of Trueperella pyogenes isolated from bovine mastitis by Fourier transform infrared spectroscopy.

    PubMed

    Nagib, Samy; Rau, Jörg; Sammra, Osama; Lämmler, Christoph; Schlez, Karen; Zschöck, Michael; Prenger-Berninghoff, Ellen; Klein, Guenter; Abdulmawjood, Amir

    2014-01-01

    The present study was designed to investigate the potential of Fourier transform infrared (FT-IR) spectroscopy to identify Trueperella (T.) pyogenes isolated from bovine clinical mastitis. FT-IR spectroscopy was applied to 57 isolates obtained from 55 cows in a period from 2009 to 2012. Prior to FT-IR spectroscopy these isolates were identified by phenotypic and genotypic properties, also including the determination of seven potential virulence factor encoding genes. The FT-IR analysis revealed a reliable identification of all 57 isolates as T. pyogenes and a clear separation of this species from the other species of genus Trueperella and from species of genus Arcanobacterium and Actinomyces. The results showed that all 57 isolates were assigned to the correct species indicating that FT-IR spectroscopy could also be efficiently used for identification of this bacterial pathogen. PMID:25133407

  13. Identification of Trueperella pyogenes Isolated from Bovine Mastitis by Fourier Transform Infrared Spectroscopy

    PubMed Central

    Nagib, Samy; Rau, Jörg; Sammra, Osama; Lämmler, Christoph; Schlez, Karen; Zschöck, Michael; Prenger-Berninghoff, Ellen; Klein, Guenter; Abdulmawjood, Amir

    2014-01-01

    The present study was designed to investigate the potential of Fourier transform infrared (FT-IR) spectroscopy to identify Trueperella (T.) pyogenes isolated from bovine clinical mastitis. FT-IR spectroscopy was applied to 57 isolates obtained from 55 cows in a period from 2009 to 2012. Prior to FT-IR spectroscopy these isolates were identified by phenotypic and genotypic properties, also including the determination of seven potential virulence factor encoding genes. The FT-IR analysis revealed a reliable identification of all 57 isolates as T. pyogenes and a clear separation of this species from the other species of genus Trueperella and from species of genus Arcanobacterium and Actinomyces. The results showed that all 57 isolates were assigned to the correct species indicating that FT-IR spectroscopy could also be efficiently used for identification of this bacterial pathogen. PMID:25133407

  14. Infrared

    NASA Astrophysics Data System (ADS)

    Vollmer, M.

    2013-11-01

    underlying physics. There are now at least six different disciplines that deal with infrared radiation in one form or another, and in one or several different spectral portions of the whole IR range. These are spectroscopy, astronomy, thermal imaging, detector and source development and metrology, as well the field of optical data transmission. Scientists working in these fields range from chemists and astronomers through to physicists and even photographers. This issue presents examples from some of these fields. All the papers—though some of them deal with fundamental or applied research—include interesting elements that make them directly applicable to university-level teaching at the graduate or postgraduate level. Source (e.g. quantum cascade lasers) and detector development (e.g. multispectral sensors), as well as metrology issues and optical data transmission, are omitted since they belong to fundamental research journals. Using a more-or-less arbitrary order according to wavelength range, the issue starts with a paper on the physics of near-infrared photography using consumer product cameras in the spectral range from 800 nm to 1.1 µm [1]. It is followed by a series of three papers dealing with IR imaging in spectral ranges from 3 to 14 µm [2-4]. One of them deals with laboratory courses that may help to characterize the IR camera response [2], the second discusses potential applications for nondestructive testing techniques [3] and the third gives an example of how IR thermal imaging may be used to understand cloud cover of the Earth [4], which is the prerequisite for successful climate modelling. The next two papers cover the vast field of IR spectroscopy [5, 6]. The first of these deals with Fourier transform infrared spectroscopy in the spectral range from 2.5 to 25 µm, studying e.g. ro-vibrational excitations in gases or optical phonon interactions within solids [5]. The second deals mostly with the spectroscopy of liquids such as biofuels and special

  15. Identification of geographical origin of Lignosus samples using Fourier transform infrared and two-dimensional infrared correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Choong, Yew-Keong; Xu, Chang-Hua; Lan, Jin; Chen, Xiang-Dong; Jamal, Jamia Azdina

    2014-07-01

    Lignosus spp. is a medicinal mushroom that has been used as a folk remedy for ‘clearing heat’, eliminating phlegm, ‘moistening the lungs’ and as an anti-breast cancer agent. The objective of this study was to identify the active chemical constituents of the mushroom limited number of sample by using Fourier transform infrared (FTIR) and two-dimensional correlation Fourier transform infrared spectroscopy (2DIR). The sample M26/08 was purchased from a Chinese medicine shop in Kuala Lumpur, while M49/07 and M23/08 were collected from Semenyih and Kuala Lipis respectively. The three samples have strong absorption peaks corresponding to the stretching vibration of conjugated carbonyl Cdbnd O group. Both fresh sample M49/07 and M23/08 showed an identical peak of 1655 cm-1, whereby M26/08 contained stretching vibration of 1648 cm-1. The peaks from 1260 cm-1 onwards were assignation of carbohydrate content including saccharides. Spectrum of M26/08 showed region from 1260 cm-1 to 950 cm-1 which was 99.4% similar to M23/08. The chemical constitutes of M26/08 and M23/08 were closely correlated (r = 0.97), whereas the correlation coefficient of M26/08 and M49/07 was 0.94. The use of second derivative and 2DIR spectroscopy enhanced the distinct differences to a more significant level. Although the geographical origin of M26/08 was unknown, its origin was determined by comparing with M49/07 and M23/08. The visual and colorful 2DIR spectra provided dynamic structural information of the chemical components analyzed and demonstrated a powerful and useful approach using the spectroscopy of different samples.

  16. Graphene-based platform for nano-scale infrared near-field spectroscopy of biological materials

    NASA Astrophysics Data System (ADS)

    Khatib, Omar; Wood, Joshua D.; Doidge, Gregory P.; Damhorst, Gregory L.; Rangarajan, Aniruddh; Bashir, Rashid; Pop, Eric; Lyding, Joseph W.; Basov, Dimitri N.

    2014-03-01

    In biological and life sciences, Fourier Transform Infrared (FTIR) spectroscopy serves as a noninvasive probe of vibrational fingerprints used to identify chemical and molecular species. Near-field spectroscopy, based on the illumination of an atomic force microscope (AFM) tip with an infrared laser, allows for determination of IR properties of a material at nanometer length scales. However, application of near-field IR spectroscopy to most biological systems has thus far been elusive. Physiological conditions required for experimentation are incompatible with typical implementations of nano-FTIR. Recently it became possible to trap water and small biomolecules underneath large-area graphene sheets grown by chemical vapor deposition (CVD). The graphene layer serves as an IR-transparent cover that allows for a near-field interrogation of the underlying layers. We present near-field nano-imaging and spectroscopy data of unencapsulated Tobacco Mosaic Viruses (TMV), compared to those sandwiched between two large-area graphene sheets, and discuss the applicability of near-field IR spectroscopy to trapped biomolecules in aqueous environments.

  17. Fourier transform-infrared spectroscopy and Gas chromatography-mass spectroscopy: Reliable techniques for analysis of Parthenium mediated vermicompost

    NASA Astrophysics Data System (ADS)

    Rajiv, P.; Rajeshwari, Sivaraj; Venckatesh, Rajendran

    2013-12-01

    Fourier transform infrared spectroscopy (FT-IR) and Gas chromatography-mass spectroscopy have been carried out to investigate the chemical composition of Parthenium mediated vermicompost. Four different concentrations of Parthenium and cow dung mixtures were vermicomposted using the earthworms (Eudrilus eugeniae). FT-IR spectra reveal the absence of Parthenin toxin (sesquiterpene lactone) and phenols in vermicompost which was obtained from high concentration of cow dung mixed treatments. GC-MS analysis shows no phenolic compounds and predominant level of intermediate metabolites such as 4,8,12,16-Tetramethylheptadecan-4-olide (7.61%), 2-Pentadecanone, 6,10,14-trimethyl- (5.29%) and Methyl 16-methyl-heptadecanoate (4.69%) during the vermicomposting process. Spectral results indicated that Parthenin toxin and phenols can be eradicated via vermicomposting if mixed with appropriate quantity of cow dung.

  18. Fourier transform-infrared spectroscopy and Gas chromatography-mass spectroscopy: reliable techniques for analysis of Parthenium mediated vermicompost.

    PubMed

    Rajiv, P; Rajeshwari, Sivaraj; Venckatesh, Rajendran

    2013-12-01

    Fourier transform infrared spectroscopy (FT-IR) and Gas chromatography-mass spectroscopy have been carried out to investigate the chemical composition of Parthenium mediated vermicompost. Four different concentrations of Parthenium and cow dung mixtures were vermicomposted using the earthworms (Eudrilus eugeniae). FT-IR spectra reveal the absence of Parthenin toxin (sesquiterpene lactone) and phenols in vermicompost which was obtained from high concentration of cow dung mixed treatments. GC-MS analysis shows no phenolic compounds and predominant level of intermediate metabolites such as 4,8,12,16-Tetramethylheptadecan-4-olide (7.61%), 2-Pentadecanone, 6,10,14-trimethyl- (5.29%) and Methyl 16-methyl-heptadecanoate (4.69%) during the vermicomposting process. Spectral results indicated that Parthenin toxin and phenols can be eradicated via vermicomposting if mixed with appropriate quantity of cow dung. PMID:23998948

  19. Mössbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    NASA Astrophysics Data System (ADS)

    Jaén, Juan A.; Navarro, César

    2009-07-01

    Fourier transform infrared spectroscopy and Mössbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Mössbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  20. Hollow Core Fiber Optics for Mid-Wave and Long-Wave Infrared Spectroscopy

    SciTech Connect

    Kriesel, J.M.; Gat, N.; Bernacki, Bruce E.; Erikson, Rebecca L.; Cannon, Bret D.; Myers, Tanya L.; Bledt, Carlos M.; Harrington, J. A.

    2011-06-01

    The development and testing of hollow core glass waveguides (i.e., fiber optics) for use in Long-Wave Infrared (LWIR) spectroscopy systems is described. LWIR fiber optics are a key enabling technology needed to improve the utility and effectiveness of trace chemical detection systems based in the 8 to 12 micron region. This paper focuses on recent developments in hollow waveguide technology geared specifically for LWIR spectroscopy, including a reduction in both the length dependent loss and the bending loss while maintaining relatively high beam quality. Results will be presented from tests conducted with a Quantum Cascade Laser.

  1. The Far-Infrared Spectroscopy of the Troposphere Instrument: Description, Performance, and Results

    NASA Astrophysics Data System (ADS)

    Mlynczak, M. G.; Johnson, D. G.; Latvakoski, H.; Jucks, K.; Watson, M.; Bingham, G.; Traub, W. A.; Wellard, S.; Hyde, C. R.

    2005-12-01

    The Far-Infrared Spectroscopy of the Troposphere (FIRST) instrument successfully completed its technology demonstration flight on June 7 2005 on a high altitude balloon launched from Ft. Sumner, N. M. FIRST is a Fourier Transform Spectrometer (FTS) designed to measure the "far-infrared" portion of the emission from the Earth and its atmosphere at wavelengths longer than 15 um. Developed under NASA's Instrument Incubator Program (IIP) FIRST demonstrated the interferometer, beamsplitter, and focal plane technology necessary to make daily global measurements of the far-infrared in a space-like environment. The FIRST instrument operated from a float altitude of 27 km for over five hours and recorded about 15,000 spectra. The instrument exceeded design specifications and observed essentially the entire infrared spectrum between 6 and 120 um. The AQUA satellite flew directly over FIRST, offering a unique opportunity for validation of the FIRST measurements. We will discuss the science motivating the measurement of the far-infrared, the instrument design and performance, comparisons with AQUA, and the future of far-infrared measurements.

  2. Distinction of three wood species by Fourier transform infrared spectroscopy and two-dimensional correlation IR spectroscopy

    NASA Astrophysics Data System (ADS)

    Huang, Anmin; Zhou, Qun; Liu, Junliang; Fei, Benhua; Sun, Suqin

    2008-07-01

    Dalbergia odorifera T. Chen, Pterocarpus santalinus L.F. and Pterocarpus soyauxii are three kinds of the most valuable wood species, which are hard to distinguish. In this paper, differentiation of D. odorifera, P. santalinus and P. soyauxii was carried out by using Fourier transform infrared spectroscopy (FT-IR), second derivative IR spectra and two-dimensional correlation infrared (2D-IR) spectroscopy. The three woods have their characteristic peaks in conventional IR spectra. For example, D. odorifera has obvious absorption peaks at 1640 and 1612 cm -1; P. santalinus has only one peak at 1614 cm -1; and P. soyauxii has one peak at 1619 cm -1 and one shoulder peak at 1597 cm -1. To enhance spectrum resolution and amplify the differences between the IR spectra of different woods, the second derivative technology was adopted to examine the three wood samples. More differences could be observed in the region of 800-1700 cm -1. Then, the thermal perturbation is applied to distinguish different wood samples in an easier way, because of the spectral resolution being enhanced by the 2D correlation spectroscopy. In the region of 1300-1800 cm -1, D. odorifera has five auto-peaks at 1518, 1575, 1594, 1620 and 1667 cm -1; P. santalinus has four auto-peaks at 1469, 1518, 1627 and 1639 cm -1 and P. soyauxii has only two auto-peaks at 1627 and 1639 cm -1. It is proved that the 2D correlation IR spectroscopy can be a new method to distinguish D. odorifera, P. santalinus and P. soyauxii.

  3. Infrared spectroscopy of biofluids: from the research lab to the clinical lab

    NASA Astrophysics Data System (ADS)

    Low Ying, Sarah; Man, Angela; Harris, Jaclyn; Shaw, R. A.

    2005-09-01

    Infrared spectroscopy is well established as an analytical technique in various applications. We have undertaken a series of studies to establish the suitability of mid infrared spectroscopy in various clinical analytical applications, focusing on various urine, serum and whole blood assays. The initial work demonstrated that six common serum analyses are possible, namely glucose, urea, total cholesterol, triglycerides, total protein, and albumin, with accuracy comparable to standard clinical methods (Hitachi 717), and more recently HDL and LDL cholesterol have been quantified separately. Herein, we summarize our progress in transferring this technology to the clinical laboratory, focusing on the new methods and hardware that have enabled this transition, assessing the accuracy of the mid IR based analytical methods using these innovations, and reporting an exploratory study assessing the transferability of methods between spectrometers.

  4. [Application of near infrared spectroscopy technique to nondestructive measurement of vegetable quality].

    PubMed

    Xie, Li-Juan; Ying, Yi-Bin; Yu, Hai-Yan; Fu, Xia-Ping

    2007-06-01

    Nondestructive detection techniques of vegetable include electrical properties, optical reflectance and transmission, sonic vibration, nuclear magnetic resonance (NMR), machine vision, aromatic volatile emission, vibration characteristics and others. The most widely employed and successful technique is to use its optical property. Near infrared spectroscopy technique is extremely fast, highly efficient, cheap to implement, of good recurrence and no sample preparation, and is a rapid and non-destructive modern measuring technique that has been widely used in many fields. In the present paper, the application of near infrared spectroscopy technique to nondestructive measurement of vegetable quality was briefly introduced. Some considerable aspects existing in the application were also discussed, and it is pointed out that because of vegetable's diversity and rot-proneness, automation analysis machine should be developed to improve the speed of quality detection, and cooperating with several other nondestructive techniques, such as NMR and machine vision, is the research trend. PMID:17763775

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

    PubMed Central

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

    2014-01-01

    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. PMID:25358261

  6. Fourier transform infrared spectroscopy quantitative analysis of SF6 partial discharge decomposition components.

    PubMed

    Zhang, Xiaoxing; Liu, Heng; Ren, Jiangbo; Li, Jian; Li, Xin

    2015-02-01

    Gas-insulated switchgear (GIS) internal SF6 gas produces specific decomposition components under partial discharge (PD). By detecting these characteristic decomposition components, such information as the type and level of GIS internal insulation deterioration can be obtained effectively, and the status of GIS internal insulation can be evaluated. SF6 was selected as the background gas for Fourier transform infrared spectroscopy (FTIR) detection in this study. SOF2, SO2F2, SO2, and CO were selected as the characteristic decomposition components for system analysis. The standard infrared absorption spectroscopy of the four characteristic components was measured, the optimal absorption peaks were recorded and the corresponding absorption coefficient was calculated. Quantitative detection experiments on the four characteristic components were conducted. The volume fraction variation trend of four characteristic components at different PD time were analyzed. And under five different PD quantity, the quantitative relationships among gas production rate, PD time, and PD quantity were studied. PMID:25459612

  7. Fourier transform infrared spectroscopy quantitative analysis of SF6 partial discharge decomposition components

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaoxing; Liu, Heng; Ren, Jiangbo; Li, Jian; Li, Xin

    2015-02-01

    Gas-insulated switchgear (GIS) internal SF6 gas produces specific decomposition components under partial discharge (PD). By detecting these characteristic decomposition components, such information as the type and level of GIS internal insulation deterioration can be obtained effectively, and the status of GIS internal insulation can be evaluated. SF6 was selected as the background gas for Fourier transform infrared spectroscopy (FTIR) detection in this study. SOF2, SO2F2, SO2, and CO were selected as the characteristic decomposition components for system analysis. The standard infrared absorption spectroscopy of the four characteristic components was measured, the optimal absorption peaks were recorded and the corresponding absorption coefficient was calculated. Quantitative detection experiments on the four characteristic components were conducted. The volume fraction variation trend of four characteristic components at different PD time were analyzed. And under five different PD quantity, the quantitative relationships among gas production rate, PD time, and PD quantity were studied.

  8. Reactive intermediates in {sup 4}He nanodroplets: Infrared laser Stark spectroscopy of dihydroxycarbene

    SciTech Connect

    Broderick, Bernadette M.; Moradi, Christopher P.; Douberly, Gary E.; McCaslin, Laura; Stanton, John F.

    2015-04-14

    Singlet dihydroxycarbene (HOC{sup ¨}OH) is produced via pyrolytic decomposition of oxalic acid, captured by helium nanodroplets, and probed with infrared laser Stark spectroscopy. Rovibrational bands in the OH stretch region are assigned to either trans,trans- or trans,cis-rotamers on the basis of symmetry type, nuclear spin statistical weights, and comparisons to electronic structure theory calculations. Stark spectroscopy provides the inertial components of the permanent electric dipole moments for these rotamers. The dipole components for trans, trans- and trans, cis-rotamers are (μ{sub a}, μ{sub b}) = (0.00, 0.68(6)) and (1.63(3), 1.50(5)), respectively. The infrared spectra lack evidence for the higher energy cis,cis-rotamer, which is consistent with a previously proposed pyrolytic decomposition mechanism of oxalic acid and computations of HOC{sup ¨}OH torsional interconversion and tautomerization barriers.

  9. Infrared spectroscopy characterization of normal and lung cancer cells originated from epithelium

    PubMed Central

    Lee, So Yeong; Yoon, Kyong-Ah; Jang, Soo Hwa; Ganbold, Erdene Ochir; Uuriintuya, Dembereldorj; Shin, Sang-Mo; Ryu, Pan Dong

    2009-01-01

    The vibrational spectral differences of normal and lung cancer cells were studied for the development of effective cancer cell screening by means of attenuated total reflection infrared spectroscopy. The phosphate monoester symmetric stretching νs(PO32-) band intensity at ~970 cm-1 and the phosphodiester symmetric stretching νs(PO2-) band intensity at ~1,085 cm-1 in nucleic acids and phospholipids appeared to be significantly strengthened in lung cancer cells with respect to the other vibrational bands compared to normal cells. This finding suggests that more extensive phosphorylation occur in cancer cells. These results demonstrate that lung cancer cells may be prescreened using infrared spectroscopy tools. PMID:19934594

  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. Gastric cancer differentiation using Fourier transform near-infrared spectroscopy with unsupervised pattern recognition

    NASA Astrophysics Data System (ADS)

    Yi, Wei-song; Cui, Dian-sheng; Li, Zhi; Wu, Lan-lan; Shen, Ai-guo; Hu, Ji-ming

    2013-01-01

    The manuscript has investigated the application of near-infrared (NIR) spectroscopy for differentiation gastric cancer. The 90 spectra from cancerous and normal tissues were collected from a total of 30 surgical specimens using Fourier transform near-infrared spectroscopy (FT-NIR) equipped with a fiber-optic probe. Major spectral differences were observed in the CH-stretching second overtone (9000-7000 cm-1), CH-stretching first overtone (6000-5200 cm-1), and CH-stretching combination (4500-4000 cm-1) regions. By use of unsupervised pattern recognition, such as principal component analysis (PCA) and cluster analysis (CA), all spectra were classified into cancerous and normal tissue groups with accuracy up to 81.1%. The sensitivity and specificity was 100% and 68.2%, respectively. These present results indicate that CH-stretching first, combination band and second overtone regions can serve as diagnostic markers for gastric cancer.

  12. Utilization of functional near infrared spectroscopy for non-invasive evaluation

    NASA Astrophysics Data System (ADS)

    Halim, A. A. A.; Laili, M. H.; Aziz, N. A.; Laili, A. R.; Salikin, M. S.; Rusop, M.

    2016-07-01

    The goal of this brief review is to report the techniques of functional near infrared spectroscopy for non-invasive evaluation in human study. The development of functional near infrared spectroscopy (fNIRS) technologies has advanced quantification signal using multiple wavelength and detector to solve the propagation of light inside the tissues including the absorption, scattering coefficient and to define the light penetration into tissues multilayers. There are a lot of studies that demonstrate signal from fNIRS which can be used to evaluate the changes of oxygenation level and measure the limitation of muscle performance in human brain and muscle tissues. Comprehensive reviews of diffuse reflectance based on beer lambert law theory were presented in this paper. The principle and development of fNIRS instrumentation is reported in detail.

  13. Reactive intermediates in 4He nanodroplets: Infrared laser Stark spectroscopy of dihydroxycarbene

    NASA Astrophysics Data System (ADS)

    Broderick, Bernadette M.; McCaslin, Laura; Moradi, Christopher P.; Stanton, John F.; Douberly, Gary E.

    2015-04-01

    Singlet dihydroxycarbene ( HO C ̈ OH ) is produced via pyrolytic decomposition of oxalic acid, captured by helium nanodroplets, and probed with infrared laser Stark spectroscopy. Rovibrational bands in the OH stretch region are assigned to either trans,trans- or trans,cis-rotamers on the basis of symmetry type, nuclear spin statistical weights, and comparisons to electronic structure theory calculations. Stark spectroscopy provides the inertial components of the permanent electric dipole moments for these rotamers. The dipole components for trans, trans- and trans, cis-rotamers are (μa, μb) = (0.00, 0.68(6)) and (1.63(3), 1.50(5)), respectively. The infrared spectra lack evidence for the higher energy cis,cis-rotamer, which is consistent with a previously proposed pyrolytic decomposition mechanism of oxalic acid and computations of HO C ̈ OH torsional interconversion and tautomerization barriers.

  14. Infrared imaging spectroscopy with micron resolution of Sutter's Mill meteorite grains

    NASA Astrophysics Data System (ADS)

    Yesiltas, Mehmet; Kebukawa, Yoko; Peale, Robert E.; Mattson, Eric; Hirschmugl, Carol J.; Jenniskens, Peter

    2014-11-01

    Synchrotron-based Fourier transform infrared spectroscopy and Raman spectroscopy are applied with submicrometer spatial resolution to multiple grains of Sutter's Mill meteorite, a regolith breccia with CM1 and CM2 lithologies. The Raman and infrared active functional groups reveal the nature and distribution of organic and mineral components and confirm that SM12 reached higher metamorphism temperatures than SM2. The spatial distributions of carbonates and organic matter are negatively correlated. The spatial distributions of aliphatic organic matter and OH relative to the distributions of silicates in SM2 differ from those in SM12, supporting a hypothesis that the parent body of Sutter's Mill is a combination of multiple bodies with different origins. The high aliphatic CH2/CH3 ratios determined from band intensities for SM2 and SM12 grains are similar to those of IDPs and less altered carbonaceous chondrites, and they are significantly higher than those in other CM chondrites and diffuse ISM objects.

  15. Chemical structure of wood charcoal by infrared spectroscopy and multivariate analysis.

    PubMed

    Labbé, Nicole; Harper, David; Rials, Timothy; Elder, Thomas

    2006-05-17

    In this work, the effect of temperature on charcoal structure and chemical composition is investigated for four tree species. Wood charcoal carbonized at various temperatures is analyzed by mid infrared spectroscopy coupled with multivariate analysis and by thermogravimetric analysis to characterize the chemical composition during the carbonization process. The multivariate models of charcoal were able to distinguish between species and wood thermal treatments, revealing that the characteristics of the wood charcoal depend not only on the wood species, but also on the carbonization temperature. This work demonstrates the potential of mid infrared spectroscopy in the whiskey industry, from the identification and classification of the wood species for the mellowing process to the chemical characterization of the barrels after the toasting and charring process. PMID:19127715

  16. 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

    2014-01-01

    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. PMID:25358261

  17. Infrared Spectroscopy and Catalysis Research: Infrared spectra of adsorbed molecules provide important information in the study of catalysis.

    PubMed

    Eischens, R P

    1964-10-23

    The examples discussed here represent only a small part of the published work relating to infrared spectra of adsorbed molecules. The publications in this field indicate that infrared spectroscopy is being used for surface chemistry research in about 50 laboratories throughout the world. This effort is mainly devoted to problems related to catalysis, and in this field infrared spectroscopy is the most widely used physical tool for surface chemistry studies. The general acceptance of infrared spectroscopy is primarily due to the fact that it provides information which is pertinent to the understanding of surface reactions on an atomic scale. During the last decade significant progress has also been made in the classical chemical techniques of catalysis study and in utilization of physical tools which depend on phenomena of magnetism, conductivity, low-energy electron diffraction, and electron emission. Probably the most important progress has been in the field of inorganic chemistry, where dramatic advances have been made in knowledge of metal coordination compounds. Such knowledge is vital to the understanding of catalysis on metal surfaces. I believe this progress has produced an attitude of sophisticated optimism among catalysis researchers with regard to eventual understanding of heterogeneous catalysis. This attitude is closely related to the realization that there is no "secret of catalysis" which places catalytic action beyond the limits of ordinary chemical knowledge (22). This view implies that the chemical aspects of heterogeneous catalysis are not unique and that the use of solid catalysts merely provides a highly effective exposure of catalytic atoms and facilitates separation of the products from the catalyst. Many capable catalysis researchers believe that studies of homogeneous catalysis provide the most direct route for the study of heterogeneous catalysis. Obviously homogeneous reactions catalyzed by compounds containing only one or two metal atoms

  18. Recent Advances in Laboratory Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbons: PAHs in the Far Infrared

    NASA Technical Reports Server (NTRS)

    Mattioda, Andrew L.; Ricca, Alessandra; Tucker, Jonathan; Boersma, Christiaan; Bauschlicher, Charles, Jr.; Allamandola, Louis J.

    2010-01-01

    Over 25 years of observations and laboratory work have shown that the mid-IR spectra of a majority of astronomical sources are dominated by emission features near 3.3, 6.2, 7.7, and 11.2 microns, which originate in free polycyclic aromatic hydrocarbon (PAH) molecules. PAHs dominate the mid-IR emission from many galactic and extragalactic objects. As such, this material tracks a wide variety of astronomical processes, making this spectrum a powerful probe of the cosmos Apart from bands in the mid-IR, PAHs have bands spanning the Far-IR (FIR) and emission from these FIR features should be present in astronomical sources showing the Mid-IR PAH bands. However, with one exception, the FIR spectral characteristics are known only for a few neutral small PAHs trapped in salt pellets or oils at room temperature, data which is not relevant to astrophysics. Furthermore, since most emitting PAHs responsible for the mid-IR astronomical features are ionized, the absence of any experimental or theoretical PAH ion FIR spectra will make it impossible to correctly interpret the FIR data from these objects. In view of the upcoming Herschel space telescope mission and SOFIA's FIR airborne instrumentation, which will pioneer the FIR region, it is now urgent to obtain PAH FIR spectra. This talk will present an overview recent advances in the laboratory spectroscopy of PAHs, Highlighting the FIR spectroscopy along with some quantum calculations.

  19. Characterising the CI and CI-like carbonaceous chondrites using thermogravimetric analysis and infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    King, Ashley J.; Solomon, Jake R.; Schofield, Paul F.; Russell, Sara S.

    2015-12-01

    The CI and CI-like chondrites provide a record of aqueous alteration in the early solar system. However, the CI-like chondrites differ in having also experienced a late stage period of thermal metamorphism. In order to constrain the nature and extent of the aqueous and thermal alteration, we have investigated the bulk mineralogy and abundance of H2O in the CI and CI-like chondrites using thermogravimetric analysis and infrared spectroscopy.

  20. Multivariate Calibration Models for Sorghum Composition using Near-Infrared Spectroscopy

    SciTech Connect

    Wolfrum, E.; Payne, C.; Stefaniak, T.; Rooney, W.; Dighe, N.; Bean, B.; Dahlberg, J.

    2013-03-01

    NREL developed calibration models based on near-infrared (NIR) spectroscopy coupled with multivariate statistics to predict compositional properties relevant to cellulosic biofuels production for a variety of sorghum cultivars. A robust calibration population was developed in an iterative fashion. The quality of models developed using the same sample geometry on two different types of NIR spectrometers and two different sample geometries on the same spectrometer did not vary greatly.

  1. Lime kiln source characterization: Lime manufacturing industry Fourier transform infrared spectroscopy. Final report

    SciTech Connect

    Toney, M.L.

    1999-07-01

    The purpose of this testing program is to obtain uncontrolled and controlled hydrogen chloride (HCl) and speciated hydrocarbon Hazardous Air Pollutants (HAPs) emissions data from lime production plants to support a national emission standard for hazardous air pollutants (NESHAP). This report presents data from the Fourier Transform Infrared Spectroscopy (FTIR) measurements. FTIR source testing was conducted for the following purposes: Quantify HCl emission levels; and Gather screening (i.e., qualitative) data on other HAP emissions.

  2. Near-infrared Spectroscopy of Brown Dwarf and Planetary-Mass Members in Upper Scorpius

    NASA Astrophysics Data System (ADS)

    Lodieu, Nicolas

    2016-01-01

    In these proceedings, I present new VLT/X-shooter near-infrared spectroscopy of brown dwarf and planetary-mass candidates with masses below 30 Jupiter masses identified in a deep VISTA ZYJ survey of 13.5 square degrees in the Upper Scorpius (USco) association. These spectra represent new benchmarks at 5-10 Myr to compare with known and future discoveries of members in nearby moving groups and other young regions.

  3. XTE J1752-223: Optical spectroscopy and infrared counterpart detection

    NASA Astrophysics Data System (ADS)

    Torres, M. A. P.; Steeghs, D.; Jonker, P. G.; Thompson, I.; Soderberg, A. M.

    2009-10-01

    Prompted by the discovery of its bright optical counterpart and the announcement of increased X-ray activity (ATels #2258, #2259, #2261, #2265, #2263), we have acquired additional observations of XTE J1752-223 at optical and near-infrared wavelengths. OPTICAL SPECTROSCOPY: An optical spectrum covering 3330-9165 Angstrom was obtained with the MIKE echelle spectrograph on the Magellan Clay telescope starting on 2009 Oct 26 UT 23:52.

  4. Metabolic fingerprinting of lichen Usnea baileyi by Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Bakar, Siti Zaharah Abu; Latip, Jalifah; bin Din, Laily; Samsuddin, Mohd Wahid

    2014-09-01

    The lichen Usnea baileyi collected from different environments was characterised using Fourier transform infrared spectroscopy. This preliminary study was done to determine the effects of different environment populations on U. baileyi chemical composition. Results showed that the absorbance peaks of Golf Course 2 (GCU2) are more intense compared to Taman Awana (TA), Jalan Awana (JA) and Jalan Gohtong (JG). U. baileyi contains of dibenzofurans, depsides, depsidones, xanthones and terpenoids.

  5. Improvement of sensitivity in continuous wave near infra-red spectroscopy systems by using silicon photomultipliers

    PubMed Central

    Pagano, Roberto; Libertino, Sebania; Sanfilippo, Delfo; Fallica, Giorgio; Lombardo, Salvatore

    2016-01-01

    We experimentally analyze the signal-to-noise ratio of continuous wave (CW) near infrared spectroscopy (NIRS) reflectance systems based on light emitting diodes and silicon photomultipliers for high performance low cost NIRS biomedical systems. We show that under suitable experimental conditions such systems exhibit a high SNR, which allows an SDS of 7 cm, to our knowledge the largest ever demonstrated in a CW-NIRs system. PMID:27486551

  6. Near-infrared-excited confocal Raman spectroscopy advances in vivo diagnosis of cervical precancer

    NASA Astrophysics Data System (ADS)

    Duraipandian, Shiyamala; Zheng, Wei; Ng, Joseph; Low, Jeffrey J. H.; Ilancheran, Arunachalam; Huang, Zhiwei

    2013-06-01

    Raman spectroscopy is a unique optical technique that can probe the changes of vibrational modes of biomolecules associated with tissue premalignant transformation. This study evaluates the clinical utility of confocal Raman spectroscopy over near-infrared (NIR) autofluorescence (AF) spectroscopy and composite NIR AF/Raman spectroscopy for improving early diagnosis of cervical precancer in vivo at colposcopy. A rapid NIR Raman system coupled with a ball-lens fiber-optic confocal Raman probe was utilized for in vivo NIR AF/Raman spectral measurements of the cervix. A total of 1240 in vivo Raman spectra [normal (n=993), dysplasia (n=247)] were acquired from 84 cervical patients. Principal components analysis (PCA) and linear discriminant analysis (LDA) together with a leave-one-patient-out, cross-validation method were used to extract the diagnostic information associated with distinctive spectroscopic modalities. The diagnostic ability of confocal Raman spectroscopy was evaluated using the PCA-LDA model developed from the significant principal components (PCs) [i.e., PC4, 0.0023% PC5, 0.00095% PC8, 0.00022%, (p<0.05)], representing the primary tissue Raman features (e.g., 854, 937, 1095, 1253, 1311, 1445, and 1654 cm-1). Confocal Raman spectroscopy coupled with PCA-LDA modeling yielded the diagnostic accuracy of 84.1% (a sensitivity of 81.0% and a specificity of 87.1%) for in vivo discrimination of dysplastic cervix. The receiver operating characteristic curves further confirmed that the best classification was achieved using confocal Raman spectroscopy compared to the composite NIR AF/Raman spectroscopy or NIR AF spectroscopy alone. This study illustrates that confocal Raman spectroscopy has great potential to improve early diagnosis of cervical precancer in vivo during clinical colposcopy.

  7. Heterodyne Spectroscopy in the Thermal Infrared Region: A Window on Physics and Chemistry

    NASA Technical Reports Server (NTRS)

    Kostiuk, Theodor

    2004-01-01

    The thermal infrared region contains molecular bands of many of the most important species in gaseous astronomical sources. True shapes and frequencies of emission and absorption spectral lines from these constituents of planetary and stellar atmospheres contain unique information on local temperature and abundance distribution, non-thermal effects, composition, local dynamics and winds. Heterodyne spectroscopy in the thermal infrared can remotely measure true line shapes in relatively cool and thin regions and enable the retrieval of detailed information about local physics and chemistry. The concept and techniques for heterodyne detection will be discussed including examples of thermal infrared photomixers and instrumentation used in studies of several astronomical sources. Use of heterodyne detection to study non-LTE phenomena, planetary aurora, minor planetary species and gas velocities (winds) will be discussed. A discussion of future technological developments and relation to space flight missions will be addressed.

  8. Dissolved Gas-in-Oil Analysis in Transformers Based on Near-Infrared Photoacoustic Spectroscopy

    NASA Astrophysics Data System (ADS)

    Mao, Xuefeng; Zhou, Xinlei; Zhai, Liang; Yu, Qingxu

    2015-06-01

    This paper investigates an application of near-infrared photoacoustic spectroscopy (PAS) to analyze the dissolved gas-in-oil of a transformer. A near-infrared tunable fiber laser-based PAS system has been developed. Using this system, the gas detection limits (signal-to-noise ratio = 1) of 4 ppb at 1531.59 nm for , 39 ppm at 1565.98 nm for CO, and 34 ppm at 1572.34 are reached. In addition, the fault gas () is produced by a transformer spatial discharge simulation system, and the productivity of the gas is measured quantitatively. The experiment demonstrates the near-infrared PAS system is able to be applied to the dissolved gas analysis of a transformer.

  9. Determination of melamine of milk based on two-dimensional correlation infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Yang, Ren-jie; Liu, Rong; Xu, Kexin

    2012-03-01

    The adulteration of milk with harmful substances is a threat to public health and beyond question a serious crime. In order to develop a rapid, cost-effective, high-throughput analysis method for detecting of adulterants in milk, the discriminative analysis of melamine is established in milk based on the two-dimensional (2D) correlation infrared spectroscopy in present paper. Pure milk samples and adulterated milk samples with different content of melamine were prepared. Then the Fourier Transform Infrared spectra of all samples were measured at room temperature. The characteristics of pure milk and adulterated milk were studied by one-dimensional spectra. The 2D NIR and 2D IR correlation spectroscopy were calculated under the perturbation of adulteration concentration. In the range from 1400 to 1800 cm-1, two strong autopeaks were aroused by melamine in milk at 1464 cm-1 and 1560 cm-1 in synchronous spectrum. At the same time, the 1560 cm-1 band does not share cross peak with the 1464 cm-1 band, which further confirm that the two bands have the same origin. Also in the range from 4200 to 4800 cm-1, the autopeak was shown at 4648 cm-1 in synchronous spectrum of melamine in milk. 2D NIR-IR hetero-spectral correlation analysis confirmed that the bands at 1464, 1560 and 4648 cm-1 had the same origin. The results demonstrated that the adulterant can be discriminated correctly by 2D correlation infrared spectroscopy.

  10. Authentication of cow feeding and geographic origin on milk using visible and near-infrared spectroscopy.

    PubMed

    Coppa, M; Martin, B; Agabriel, C; Chassaing, C; Sibra, C; Constant, I; Graulet, B; Andueza, D

    2012-10-01

    The ability of near-infrared spectroscopy to trace cow feeding systems and farming altitude was tested on 486 bulk milk samples from France and northwestern Italy. Milks were grouped into feeding systems according to the main forage in the diet. Partial least square discriminant analysis correctly classified 95.5, 91.5, and 93.3% of pasture versus maize silage, hay, and fermented herbage feeding systems, respectively. Discrimination was slightly less successful when diets with large proportions of the nondominant forage were included in each group. Near-infrared spectroscopy correctly discriminated no-pasture from pasture milk, even with only 30% of pasture in the diet (5.4% cross-validation error), and the error stabilized when pasture exceeded 70% (2.5% error). Near-infrared spectroscopy did not reliably trace milk geographic origin when the feeding system effect was isolated from the altitude effect. These findings may be usefully exploited for the authentication of dairy products. PMID:22901470

  11. A novel objective sour taste evaluation method based on near-infrared spectroscopy.

    PubMed

    Hoshi, Ayaka; Aoki, Soichiro; Kouno, Emi; Ogasawara, Masashi; Onaka, Takashi; Miura, Yutaka; Mamiya, Kanji

    2014-05-01

    One of the most important themes in the development of foods and drinks is the accurate evaluation of taste properties. In general, a sensory evaluation system is frequently used for evaluating food and drink. This method, which is dependent on human senses, is highly sensitive but is influenced by the eating experience and food palatability of individuals, leading to subjective results. Therefore, a more effective method for objectively estimating taste properties is required. Here we show that salivary hemodynamic signals, as measured by near-infrared spectroscopy, are a useful objective indicator for evaluating sour taste stimulus. In addition, the hemodynamic responses of the parotid gland are closely correlated to the salivary secretion volume of the parotid gland in response to basic taste stimuli and respond to stimuli independently of the hedonic aspect. Moreover, we examined the hemodynamic responses to complex taste stimuli in food-based solutions and demonstrated for the first time that the complicated phenomenon of the "masking effect," which decreases taste intensity despite the additional taste components, can be successfully detected by near-infrared spectroscopy. In summary, this study is the first to demonstrate near-infrared spectroscopy as a novel tool for objectively evaluating complex sour taste properties in foods and drinks. PMID:24474216

  12. Towards a low-cost mobile subcutaneous vein detection solution using near-infrared spectroscopy.

    PubMed

    Juric, Simon; Flis, Vojko; Debevc, Matjaz; Holzinger, Andreas; Zalik, Borut

    2014-01-01

    Excessive venipunctures are both time- and resource-consuming events, which cause anxiety, pain, and distress in patients, or can lead to severe harmful injuries. We propose a low-cost mobile health solution for subcutaneous vein detection using near-infrared spectroscopy, along with an assessment of the current state of the art in this field. The first objective of this study was to get a deeper overview of the research topic, through the initial team discussions and a detailed literature review (using both academic and grey literature). The second objective, that is, identifying the commercial systems employing near-infrared spectroscopy, was conducted using the PubMed database. The goal of the third objective was to identify and evaluate (using the IEEE Xplore database) the research efforts in the field of low-cost near-infrared imaging in general, as a basis for the conceptual model of the upcoming prototype. Although the reviewed commercial devices have demonstrated usefulness and value for peripheral veins visualization, other evaluated clinical outcomes are less conclusive. Previous studies regarding low-cost near-infrared systems demonstrated the general feasibility of developing cost-effective vein detection systems; however, their limitations are restricting their applicability to clinical practice. Finally, based on the current findings, we outline the future research direction. PMID:24883388

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

    PubMed

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

    2012-05-01

    High temperature large forging is covered with a thick oxide during forging. It leads to a big measurement data error. In this paper, a method of measuring temperature based on infrared spectroscopy is presented. It can effectively eliminate the influence of surface oxide on the measurement of temperature. The method can measure the surface temperature and emissivity of the oxide directly using the infrared spectrum. The infrared spectrum is radiated from surface oxide of forging. Then it can derive the real temperature of hot forging covered with the oxide using the heat exchange equation. In order to greatly restrain interference spectroscopy through included in the received infrared radiation spectrum, three interference filter system was proposed, and a group of optimal gap parameter values using spectral simulation were obtained. The precision of temperature measurement was improved. The experimental results show that the method can accurately measure the surface temperature of high temperature forging covered with oxide. It meets the requirements of measurement accuracy, and the temperature measurement method is feasible according to the experiment result. PMID:22827063

  14. Towards a Low-Cost Mobile Subcutaneous Vein Detection Solution Using Near-Infrared Spectroscopy

    PubMed Central

    Flis, Vojko; Debevc, Matjaz; Holzinger, Andreas; Zalik, Borut

    2014-01-01

    Excessive venipunctures are both time- and resource-consuming events, which cause anxiety, pain, and distress in patients, or can lead to severe harmful injuries. We propose a low-cost mobile health solution for subcutaneous vein detection using near-infrared spectroscopy, along with an assessment of the current state of the art in this field. The first objective of this study was to get a deeper overview of the research topic, through the initial team discussions and a detailed literature review (using both academic and grey literature). The second objective, that is, identifying the commercial systems employing near-infrared spectroscopy, was conducted using the PubMed database. The goal of the third objective was to identify and evaluate (using the IEEE Xplore database) the research efforts in the field of low-cost near-infrared imaging in general, as a basis for the conceptual model of the upcoming prototype. Although the reviewed commercial devices have demonstrated usefulness and value for peripheral veins visualization, other evaluated clinical outcomes are less conclusive. Previous studies regarding low-cost near-infrared systems demonstrated the general feasibility of developing cost-effective vein detection systems; however, their limitations are restricting their applicability to clinical practice. Finally, based on the current findings, we outline the future research direction. PMID:24883388

  15. Gasoline classification using near infrared (NIR) spectroscopy data: comparison of multivariate techniques.

    PubMed

    Balabin, Roman M; Safieva, Ravilya Z; Lomakina, Ekaterina I

    2010-06-25

    Near infrared (NIR) spectroscopy is a non-destructive (vibrational spectroscopy based) measurement technique for many multicomponent chemical systems, including products of petroleum (crude oil) refining and petrochemicals, food products (tea, fruits, e.g., apples, milk, wine, spirits, meat, bread, cheese, etc.), pharmaceuticals (drugs, tablets, bioreactor monitoring, etc.), and combustion products. In this paper we have compared the abilities of nine different multivariate classification methods: linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), regularized discriminant analysis (RDA), soft independent modeling of class analogy (SIMCA), partial least squares (PLS) classification, K-nearest neighbor (KNN), support vector machines (SVM), probabilistic neural network (PNN), and multilayer perceptron (ANN-MLP) - for gasoline classification. Three sets of near infrared (NIR) spectra (450, 415, and 345 spectra) were used for classification of gasolines into 3, 6, and 3 classes, respectively, according to their source (refinery or process) and type. The 14,000-8000 cm(-1) NIR spectral region was chosen. In all cases NIR spectroscopy was found to be effective for gasoline classification purposes, when compared with nuclear magnetic resonance (NMR) spectroscopy or gas chromatography (GC). KNN, SVM, and PNN techniques for classification were found to be among the most effective ones. Artificial neural network (ANN-MLP) approach based on principal component analysis (PCA), which was believed to be efficient, has shown much worse results. We hope that the results obtained in this study will help both further chemometric (multivariate data analysis) investigations and investigations in the sphere of applied vibrational (infrared/IR, near-IR, and Raman) spectroscopy of sophisticated multicomponent systems. PMID:20541639

  16. Broadband on-chip near-infrared spectroscopy based on a plasmonic grating filter array.

    PubMed

    Li, Erwen; Chong, Xinyuan; Ren, Fanghui; Wang, Alan X

    2016-05-01

    We demonstrate an ultra-compact, broadband on-chip near-infrared (NIR) spectroscopy system based on a narrow-band plasmonic filter array. The entire filter array, consisting of 28 individual subwavelength metallic gratings, was monolithically integrated in a thin gold film on a quartz substrate, covering a 270 nm spectra from 1510 nm to 1780 nm. In order to achieve a high spectral resolution, extremely narrow slits are created for the gratings with a polymer waveguide layer on top, generating narrow-band guided-mode resonances through coupling with the surface-plasmon resonances of the metallic gratings. Experimental results show that the transmission bands of the filter array have full width at half-maximum of only 7 nm-13 nm, which is sufficient for NIR spectroscopy. The NIR absorption spectroscopy of xylene using the on-chip plasmonic filter array matches very well with the results from conventional Fourier transform infrared spectroscopy, which proves the great potential for NIR sensing applications. PMID:27128037

  17. High resolution spectroscopy of six SOCl2 isotopologues from the microwave to the far-infrared

    NASA Astrophysics Data System (ADS)

    Martin-Drumel, M. A.; Roucou, A.; Brown, G. G.; Thorwirth, S.; Pirali, O.; Mouret, G.; Hindle, F.; McCarthy, M. C.; Cuisset, A.

    2016-02-01

    Despite its potential role as an atmospheric pollutant, thionyl chloride, SOCl2, remains poorly characterized in the gas phase. In this study, the pure rotational and ro-vibrational spectra of six isotopologues of this molecule, all detected in natural abundance, have been extensively studied from the cm-wave band to the far-infrared region by means of three complementary techniques: chirped-pulse Fourier transform microwave spectroscopy, sub-millimeter-wave spectroscopy using frequency multiplier chain, and synchrotron-based far-infrared spectroscopy. Owing to the complex line pattern which results from two nuclei with non-zero spins, new, high-level quantum-chemical calculations of the hyperfine structure played a crucial role in the spectroscopic analysis. From the combined experimental and theoretical work, an accurate semi-experimental equilibrium structure (reSE) of SOCl2 has been derived. With the present data, spectroscopy-based methods can now be applied with confidence to detect and monitor this species, either by remote sensing or in situ.

  18. Identification and characterization of salmonella serotypes using DNA spectral characteristics by fourier transform infrared (FT-IR) spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Analysis of DNA samples of Salmonella serotypes (Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky) were performed using Fourier transform infrared spectroscopy (FT-IR) spectrometer by placing directly in contact with a diamond attenua...

  19. Molecular recognition using receptor-free nanomechanical infrared spectroscopy based on a quantum cascade laser

    PubMed Central

    Kim, Seonghwan; Lee, Dongkyu; Liu, Xunchen; Van Neste, Charles; Jeon, Sangmin; Thundat, Thomas

    2013-01-01

    Speciation of complex mixtures of trace explosives presents a formidable challenge for sensors that rely on chemoselective interfaces due to the unspecific nature of weak intermolecular interactions. Nanomechanical infrared (IR) spectroscopy provides higher selectivity in molecular detection without using chemoselective interfaces by measuring the photothermal effect of adsorbed molecules on a thermally sensitive microcantilever. In addition, unlike conventional IR spectroscopy, the detection sensitivity is drastically enhanced by increasing the IR laser power, since the photothermal signal comes from the absorption of IR photons and nonradiative decay processes. By using a broadly tunable quantum cascade laser for the resonant excitation of molecules, we increased the detection sensitivity by one order of magnitude compared to the use of a conventional IR monochromator. Here, we demonstrate the successful speciation and quantification of picogram levels of ternary mixtures of similar explosives (trinitrotoluene (TNT), cyclotrimethylene trinitramine (RDX), and pentaerythritol tetranitrate (PETN)) using nanomechanical IR spectroscopy. PMID:23346368

  20. 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.