Hollow optical-fiber based infrared spectroscopy for measurement of blood glucose level by using multi-reflection prism.

PubMed

Kino, Saiko; Omori, Suguru; Katagiri, Takashi; Matsuura, Yuji

2016-02-01

A mid-infrared attenuated total reflection (ATR) spectroscopy system employing hollow optical fibers and a trapezoidal multi-reflection ATR prism has been developed to measure blood glucose levels. Using a multi-reflection prism brought about higher sensitivity, and the flat and wide contact surface of the prism resulted in higher measurement reproducibility. An analysis of in vivo measurements of human inner lip mucosa revealed clear signatures of glucose in the difference spectra between ones taken during the fasting state and ones taken after ingestion of glucose solutions. A calibration plot based on the absorption peak at 1155 cm(-1) that originates from the pyranose ring structure of glucose gave measurement errors less than 20%.

Detection of Organic Matter in Sediments with Near-Infrared Reflectance Spectroscopy: Effects of Mineralogy, Albedo and Hydration

NASA Astrophysics Data System (ADS)

Kaplan, H. H.; Milliken, R.

2014-12-01

Laboratory, field-, and satellite-based visible-near infrared reflectance spectroscopy allows for rapid, remote, and non-destructive analysis of geologic materials to identify mineralogy as well as organic compounds. This type of analysis has potential to aid the search for organics on Mars as a means of first detection of reduced carbon, or to study organic matter nondestructively in valuable samples such as meteorites. In order to assess potential applications of this method we aim to answer fundamental questions about detection limits and quantification of organic matter using reflectance spectroscopy. Laboratory mixtures and natural samples are measured for total organic carbon (TOC in wt.%) with standard methods and reflectance spectroscopy. Absorption features due to C-H2 and C-H3 bonds are observed in the 3.3 to 3.5μm (3000 to 2850 cm-1) wavelength region. A strong H2O feature near 3μm, as well as carbonate-related absorptions near 3.4µm, are also found in this spectral region and can complicate detection of organic material, particularly at low TOC values. In natural samples without carbonate there appears to be a linear trend between TOC and the band depth of organic absorptions; samples that have low albedo, or strong 3μm water features deviate from this trend line. Spectra of samples with carbonate may be modeled with Gaussians to remove the influence of the carbonate features and better match the organic absorption trend. Early results indicate that quantification of organic matter in natural fine-grained samples using reflectance spectroscopy will need to take low-albedo components and water content into account. Detection limits may also depend on these properties; organic absorption features are clearly seen in the lowest TOC sample measured so far (0.08wt% or 800ppm), which is a relatively bright, carbonate-free, quartz- and clay-dominated outcrop sample. A series of laboratory experiments have been undertaken in which known amounts of organic

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

PubMed

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

2009-08-01

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

Infrared Spectroscopy of Explosives Residues: Measurement Techniques and Spectral Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 ofmore » 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.« less

Infrared Absorption Spectroscopy and Chemical Kinetics of Free Radicals. Final Performance Report, August 1, 1985--July 31, 1994

DOE R&D Accomplishments Database

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

1995-06-01

This research was directed at the detection, monitoring, and study (by infrared absorption spectroscopy) of the chemical kinetic behavior of small free radical species thought to be important intermediates in combustion. The work typically progressed from the detection and analysis of the infrared spectrum of combustion radical to the utilization of the infrared spectrum thus obtained in the investigation of chemical kinetics of the radical species. The methodology employed was infrared kinetic spectroscopy. In this technique the radical is produced by UV flash photolysis using an excimer laser and then its transient infrared absorption is observed using a single frequency cw laser as the source of the infrared probe light. When the probe laser frequency is near the center of an absorption line of the radical produced by the flash, the transient infrared absorption rises rapidly and then decays as the radical reacts with the precursor or with substances introduced for the purpose of studying the reaction kinetics or with itself. The decay times observed in these studies varied from less than one microsecond to more than one millisecond. By choosing appropriate time windows after the flash and the average infrared detector signal in a window as data channels, the infrared spectrum of the radical may be obtained. By locking the infrared probe laser to the center of the absorption line and measuring the rate of decay of the transient infrared absorption signal as the chemical composition of the gas mixture is varied, the chemical kinetics of the radical may be investigated. In what follows the systems investigated and the results obtained are outlined.

Mid-infrared laser absorption spectroscopy of NO2 at elevated temperatures

NASA Astrophysics Data System (ADS)

Sur, Ritobrata; Peng, Wen Yu; Strand, Christopher; Mitchell Spearrin, R.; Jeffries, Jay B.; Hanson, Ronald K.; Bekal, Anish; Halder, Purbasha; Poonacha, Samhitha P.; Vartak, Sameer; Sridharan, Arun K.

2017-01-01

A mid-infrared quantum cascade laser absorption sensor was developed for in-situ detection of NO2 in high-temperature gas environments. A cluster of spin-split transitions near 1599.9 cm-1 from the ν3 absorption band of NO2 was selected due to the strength of these transitions and the low spectral interference from water vapor within this region. Temperature- and species-dependent collisional broadening parameters of ten neighboring NO2 transitions with Ar, O2, N2, CO2 and H2O were measured and reported. The spectral model was validated through comparisons with direct absorption spectroscopy measurements of NO2 seeded in various bath gases. The performance of the scanned wavelength modulation spectroscopy (WMS)-based sensor was demonstrated in a combustion exhaust stream seeded with varying flow rates of NO2, achieving reliable detection of 1.45 and 1.6 ppm NO2 by mole at 600 K and 800 K, respectively, with a measurement uncertainty of ±11%. 2σ noise levels of 360 ppb and 760 ppb were observed at 600 K and 800 K, respectively, in an absorption path length of 1.79 m.

Fourier Transform Infrared Absorption Spectroscopy of Gas-Phase and Surface Reaction Products during Si Etching in Inductively Coupled Cl2 Plasmas

NASA Astrophysics Data System (ADS)

Miyata, Hiroki; Tsuda, Hirotaka; Fukushima, Daisuke; Takao, Yoshinori; Eriguchi, Koji; Ono, Kouichi

2011-10-01

A better understanding of plasma-surface interactions is indispensable during etching, including the behavior of reaction or etch products, because the products on surfaces and in the plasma are important in passivation layer formation through their redeposition on surfaces. In practice, the nanometer-scale control of plasma etching would still rely largely on such passivation layer formation as well as ion-enhanced etching on feature surfaces. This paper presents in situ Fourier transform infrared (FTIR) absorption spectroscopy of gas-phase and surface reaction products during inductively coupled plasma (ICP) etching of Si in Cl2. The observation was made in the gas phase by transmission absorption spectroscopy (TAS), and also on the substrate surface by reflection absorption spectroscopy (RAS). The quantum chemical calculation was also made of the vibrational frequency of silicon chloride molecules. The deconvolution of the TAS spectrum revealed absorption features of Si2Cl6 and SiClx (x = 1-3) as well as SiCl4, while that of the RAS spectrum revealed relatively increased absorption features of unsaturated silicon chlorides. A different behavior was also observed in bias power dependence between the TAS and RAS spectra.

Stand-alone polarization-modulation infrared reflection absorption spectroscopy instrument optimized for the study of catalytic processes at elevated pressures

NASA Astrophysics Data System (ADS)

Kestell, John D.; Mudiyanselage, Kumudu; Ye, Xinyi; Nam, Chang-Yong; Stacchiola, Dario; Sadowski, Jerzy; Boscoboinik, J. Anibal

2017-10-01

This paper describes the design and construction of a compact, "user-friendly" polarization-modulation infrared reflection absorption spectroscopy (PM-IRRAS) instrument at the Center for Functional Nanomaterials (CFN) of Brookhaven National Laboratory, which allows studying surfaces at pressures ranging from ultra-high vacuum to 100 Torr. Surface infrared spectroscopy is ideally suited for studying these processes as the vibrational frequencies of the IR chromophores are sensitive to the nature of the bonding environment on the surface. Relying on the surface selection rules, by modulating the polarization of incident light, it is possible to separate the contributions from the isotropic gas or solution phase, from the surface bound species. A spectral frequency range between 1000 cm-1 and 4000 cm-1 can be acquired. While typical spectra with a good signal to noise ratio can be obtained at elevated pressures of gases in ˜2 min at 4 cm-1 resolution, we have also acquired higher resolution spectra at 0.25 cm-1 with longer acquisition times. By way of verification, CO uptake on a heavily oxidized Ru(0001) sample was studied. As part of this test study, the presence of CO adsorbed on Ru bridge sites was confirmed, in agreement with previous ambient pressure X ray photoelectron spectroscopy studies. In terms of instrument performance, it was also determined that the gas phase contribution from CO could be completely removed even up to pressures close to 100 Torr. A second test study demonstrated the use of the technique for studying morphological properties of a spin coated polymer on a conductive surface. Note that this is a novel application of this technique. In this experiment, the polarization of incident light was modulated manually (vs. through a photoelastic modulator). It was demonstrated, in good agreement with the literature, that the polymer chains preferentially lie parallel with the surface. This PM-IRRAS system is small, modular, and easily

Stand-alone polarization-modulation infrared reflection absorption spectroscopy instrument optimized for the study of catalytic processes at elevated pressures

DOE PAGES

Kestell, John D.; Mudiyanselage, Kumudu; Ye, Xinyi; ...

2017-10-01

This article describes the design and construction of a compact, “user-friendly” polarization-modulation infrared reflection absorption spectroscopy (PM-IRRAS) instrument at the Center for Functional Nanomaterials (CFN) of Brookhaven National Laboratory, which allows studying surfaces at pressures ranging from ultra-high vacuum to 100 Torr. Surface infrared spectroscopy is ideally suited for studying these processes as the vibrational frequencies of the IR chromophores are sensitive to the nature of the bonding environment on the surface. Relying on the surface selection rules, by modulating the polarization of incident light, it is possible to separate the contributions from the isotropic gas or solution phase, frommore » the surface bound species. A spectral frequency range between 1000 cm -1 and 4000 cm -1 can be acquired. While typical spectra with a good signal to noise ratio can be obtained at elevated pressures of gases in ~2 min at 4 cm -1 resolution, we have also acquired higher resolution spectra at 0.25 cm -1 with longer acquisition times. By way of verification, CO uptake on a heavily oxidized Ru(0001) sample was studied. As part of this test study, the presence of CO adsorbed on Ru bridge sites was confirmed, in agreement with previous ambient pressure X ray photoelectron spectroscopy studies. In terms of instrument performance, it was also determined that the gas phase contribution from CO could be completely removed even up to pressures close to 100 Torr. A second test study demonstrated the use of the technique for studying morphological properties of a spin coated polymer on a conductive surface. Note that this is a novel application of this technique. In this experiment, the polarization of incident light was modulated manually (vs. through a photoelastic modulator). It was demonstrated, in good agreement with the literature, that the polymer chains preferentially lie parallel with the surface. This PM-IRRAS system is small, modular, and

Stand-alone polarization-modulation infrared reflection absorption spectroscopy instrument optimized for the study of catalytic processes at elevated pressures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kestell, John D.; Mudiyanselage, Kumudu; Ye, Xinyi

This article describes the design and construction of a compact, “user-friendly” polarization-modulation infrared reflection absorption spectroscopy (PM-IRRAS) instrument at the Center for Functional Nanomaterials (CFN) of Brookhaven National Laboratory, which allows studying surfaces at pressures ranging from ultra-high vacuum to 100 Torr. Surface infrared spectroscopy is ideally suited for studying these processes as the vibrational frequencies of the IR chromophores are sensitive to the nature of the bonding environment on the surface. Relying on the surface selection rules, by modulating the polarization of incident light, it is possible to separate the contributions from the isotropic gas or solution phase, frommore » the surface bound species. A spectral frequency range between 1000 cm -1 and 4000 cm -1 can be acquired. While typical spectra with a good signal to noise ratio can be obtained at elevated pressures of gases in ~2 min at 4 cm -1 resolution, we have also acquired higher resolution spectra at 0.25 cm -1 with longer acquisition times. By way of verification, CO uptake on a heavily oxidized Ru(0001) sample was studied. As part of this test study, the presence of CO adsorbed on Ru bridge sites was confirmed, in agreement with previous ambient pressure X ray photoelectron spectroscopy studies. In terms of instrument performance, it was also determined that the gas phase contribution from CO could be completely removed even up to pressures close to 100 Torr. A second test study demonstrated the use of the technique for studying morphological properties of a spin coated polymer on a conductive surface. Note that this is a novel application of this technique. In this experiment, the polarization of incident light was modulated manually (vs. through a photoelastic modulator). It was demonstrated, in good agreement with the literature, that the polymer chains preferentially lie parallel with the surface. This PM-IRRAS system is small, modular, and

Mid-infrared multi-mode absorption spectroscopy, MUMAS, using difference frequency generation

NASA Astrophysics Data System (ADS)

Northern, Henry; O'Hagan, Seamus; Hamilton, Michelle L.; Ewart, Paul

2015-03-01

Multi-mode absorption spectroscopy of ammonia and methane at 3.3 μm has been demonstrated using a source of multi-mode mid-infrared radiation based on difference frequency generation. Multi-mode radiation at 1.56 μm from a diode-pumped Er:Yb:glass laser was mixed with a single-mode Nd:YAG laser at 1.06 μm in a periodically poled lithium niobate crystal to produce multi-mode radiation in the region of 3.3 μm. Detection, by direct multi-mode absorption, of NH3 and CH4 is reported for each species individually and also simultaneously in mixtures allowing measurements of partial pressures of each species.

Directed assembly of binary monolayers with a high protein affinity: infrared reflection absorption spectroscopy (IRRAS) and surface plasmon resonance (SPR).

PubMed

Du, Xuezhong; Wang, Yuchun

2007-03-08

Infrared reflection absorption spectroscopy (IRRAS) and surface plasmon resonance (SPR) techniques have been employed to investigate human serum albumin (HSA) binding to binary monolayers of zwitterionic dipalmitoylphosphatidylcholine (DPPC) and cationic dioctadecyldimethylammonium bromide (DOMA). At the air-water interface, the favorable electrostatic interaction between DPPC and DOMA leads to a dense chain packing. The tilt angle of the hydrocarbon chains decreases with increasing mole fraction of DOMA (X(DOMA)) in the monolayers at the surface pressure 30 mN/m: DPPC ( approximately 30 degrees ), X(DOMA) = 0.1 ( approximately 15 degrees ), and X(DOMA) = 0.3 ( approximately 0 degrees ). Negligible protein binding to the DPPC monolayer is observed in contrast to a significant binding to the binary monolayers. After HSA binding, the hydrocarbon chains at X(DOMA) = 0.1 undergo an increase in tilt angle from 15 degrees to 25 approximately 30 degrees , and the chains at X(DOMA) = 0.3 remain almost unchanged. The two components in the monolayers deliver through lateral reorganization, induced by the protein in the subphase, to form multiple interaction sites favorable for protein binding. The surfaces with a high protein affinity are created through the directed assembly of binary monolayers for use in biosensing.

Applications of absorption spectroscopy using quantum cascade lasers.

PubMed

Zhang, Lizhu; Tian, Guang; Li, Jingsong; Yu, Benli

2014-01-01

Infrared laser absorption spectroscopy (LAS) is a promising modern technique for sensing trace gases with high sensitivity, selectivity, and high time resolution. Mid-infrared quantum cascade lasers, operating in a pulsed or continuous wave mode, have potential as spectroscopic sources because of their narrow linewidths, single mode operation, tunability, high output power, reliability, low power consumption, and compactness. This paper reviews some important developments in modern laser absorption spectroscopy based on the use of quantum cascade laser (QCL) sources. Among the various laser spectroscopic methods, this review is focused on selected absorption spectroscopy applications of QCLs, with particular emphasis on molecular spectroscopy, industrial process control, combustion diagnostics, and medical breath analysis.

Infrared Absorption by Atmospheric Aerosols in Mexico City during MILAGRO.

NASA Astrophysics Data System (ADS)

Kelley, K. L.; Mangu, A.; Gaffney, J. S.; Marley, N. A.

2007-12-01

Past research in our group using cylindrical internal reflectance spectroscopy has indicated that aqueous aerosols could contribute to the radiative warming as greenhouse species (1,2). Although aerosol radiative effects have been known for sometime and are considered one of the major uncertainties in climate change modeling, most of the studies have focused on the forcing due to scattering and absorption of radiation in the uv- visible region (3). Infrared spectral information also allows the confirmation of key functional groups that are responsible for enhanced absorption observations from secondary organics in the uv-visible region. This work extends our efforts to evaluate the infrared absorption by aerosols, particularly organics, that are now found to be a major fraction of urban and regional aerosols in the 0.1 to 1.0 micron size range and to help identify key types of organics that can contribute to aerosol absorption. During the MILAGRO campaign, quartz filter samples were taken at 12-hour intervals from 5 am to 5 pm (day) and from 5 pm to 5 am (night) during the month of March 2006. These samples were taken at the two super-sites, T-0 (Instituto Mexicano de Petroleo in Mexico City) and T-1 (Universidad Technologica de Tecamac, State of Mexico). The samples have been characterized for total carbon content (stable isotope mass spectroscopy) and natural radionuclide tracers, as well as for their UV-visible spectroscopic properties by using integrating sphere diffuse reflectance spectroscopy (Beckman DU with a Labsphere accessory). These same samples have been characterized in the mid and near infrared spectral ranges using diffuse reflection spectroscopy (Nicolet 6700 FTIR with a Smart Collector accessory). Aerosol samples were removed from the surfaces of the aerosol filters by using Si-Carb sampler. The samples clearly indicate the presence of carbonyl organic constituents and the spectra are quite similar to those observed for humic and fulvic acids

Co-adsorption of oxygen and formic acid on rutile TiO2 (110) studied by infrared reflection-absorption spectroscopy

NASA Astrophysics Data System (ADS)

Mattsson, Andreas; Österlund, Lars

2017-09-01

Adsorption of formic acid and co-adsorption with oxygen have been investigated on the rutile TiO2(110) surface using p- and s-polarized infrared reflection-absorption spectroscopy (IRRAS) at O2 exposures between 45 L to 8100 L and at temperatures between 273 K and 343 K. On the clean surface formic acid dissociates into a formate ion (formate) and a proton. Formate binds to two five-fold coordinated Ti atoms in the troughs along the [001] direction, and the proton binds to neighboring bridging O atoms. Exposure of adsorbed formate to O2 leads to a decrease in the asymmetric νas(OCO) band at 1532 cm-1 and to the concomitant formation of a new vibration band at 1516 cm-1. From the s-and p-polarized IRRAS measurements performed at different O2 exposures, surface pre-treatments and substrate temperatures, and by comparisons with previous reports, we conclude that the new species is a bidentate surface hydrogen carbonate, which is formed by reaction between formate and oxygen adatoms on the surface. The σv reflection plane of the surface hydrogen carbonate molecule is oriented along the [001] direction, i.e. the same direction as the adsorbed formate molecule. On the clean TiO2(110) surface exposed to O2 prior to formic acid adsorption, similar results are obtained. The reaction rate to form surface hydrogen carbonate from formate is found to follow first-order kinetics, with an apparent activation energy of Er=0.25 eV.

Using mid-Infrared External Reflectance Spectroscopy to Distinguish Between Different Commercially Produced Poly[Methyl MethAcrylate] (PMMA) Samples - A Null Result

NASA Astrophysics Data System (ADS)

Fajardo, Mario; Neel, Christopher; Lacina, David

2017-06-01

We report (null) results of experiments testing the hypothesis that mid-infrared (mid-IR) spectroscopy can be used to distinguish samples of poly[methyl methacrylate] (PMMA) obtained from different commercial suppliers. This work was motivated by the desire for a simple non-destructive and non-invasive test for pre-sorting PMMA samples prior to use in shock and high-strain-rate experiments, where PMMA is commonly used as a standard material. We discuss: our choice of mid-IR external reflectance spectroscopy, our approach to recording reflectance spectra at near-normal (θ = 0 + / - 5 degree) incidence and for extracting the wavelength-weighted absorption spectrum from the raw reflectance data via a Kramers-Krönig analysis. We employ extensive signal, which necessitates adopting a special experimental protocol to mitigate the effects of instrumental drift. Finally, we report spectra of three PMMA samples with different commercial pedigrees, and show that they are virtually identical (+ / - 1 % error, 95% confidence); obviating the use of mid-IR reflectance spectroscopy to tell the samples apart.

In vivo measurements of optical properties of human muscles with visible and near infrared reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Wang, Chiao Yi; Yu, Ting Wen; Sung, Kung Bin

2018-02-01

Estimating optical properties of tissues is a crucial step to model photon migration in tissue, facilitate the design of the probe geometry, better interpret data measured from tissue and predict photon energy distributions in tissue for various diagnostic and therapeutic applications. Diffuse reflectance spectroscopy (DRS) using visible and near-infrared light is a well-known method for estimating optical properties of tissues. For estimating optical properties of muscles, most existing researches have used integrating spheres for ex-vivo measurements. However, due to inter-subject variability and sitespecific conditions, an in-vivo approach can provide more accurate estimations of muscle absorption and scattering coefficients, which is important for the tomographic reconstruction of changes in the absorption or fluorescence in tissue. In this study, we used DRS with wavelengths between 600 nm and 800 nm and a fiber bundle with source-to-detector separations in the range of 0.18-0.35 cm to quantify wavelength-dependent scattering and absorption coefficients of human muscles in vivo with an inverse Monte Carlo model. Reflectance spectra were measured on the neck and the upper arm of one volunteer. After calibrating spectra with tissue phantoms made of Intralipid and India ink, we estimated scattering and absorption coefficients of muscles. The results are compared to those measured ex vivo in the literature.

Tunable near- to mid-infrared pump terahertz probe spectroscopy in reflection geometry

NASA Astrophysics Data System (ADS)

Zhang, S. J.; Wang, Z. X.; Dong, T.; Wang, N. L.

2017-10-01

Strong-field mid-infrared pump-terahertz (THz) probe spectroscopy has been proven as a powerful tool for light control of different orders in strongly correlated materials. We report the construction of an ultrafast broadband infrared pump-THz probe system in reflection geometry. A two-output optical parametric amplifier is used for generating mid-infrared pulses with GaSe as the nonlinear crystal. The setup is capable of pumping bulk materials at wavelengths ranging from 1.2 μm to 15 μm and beyond, and detecting the subtle, transient photoinduced changes in the reflected electric field of the THz probe at different temperatures. As a demonstration, we present 15 μm pump-THz probe measurements of a bulk EuSbTe3 single crystal. A 0:5% transient change in the reflected THz electric field can be clearly resolved. The widely tuned pumping energy could be used in mode-selective excitation experiments and applied to many strongly correlated electron systems.

Visible and near-infrared reflectance spectroscopy of planetary analog materials. Experimental facility at Laboratoire de Planetologie de Grenoble.

NASA Astrophysics Data System (ADS)

Pommerol, A.; Brissaud, O.; Schmitt, B.; Quirico, E.; Doute, S.

2007-08-01

solid samples and samples diluted in KBr pellets, infrared imaging microscope, numerical modeling of bidirectional reflectance spectra using laboratory-measured optical constants. We will present different examples of experimental results obtained on the reflectance spectroscopy facility: - Effects of particle size, mixtures between samples with different albedo and measurement geometries on the water-of-hydration near-infrared absorption signatures with implications for the Martian regolith water content. - BRDF of regolith analogs and natural snow. - Hydration and dehydration of planetary analogs. - Spectra of different kinds of mixtures between water ice and minerals. We will briefly discuss the planetary implications of each of these measurements and detail the future investigations that will be undertaken on our experimental facility.

[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.

Infrared absorption spectroscopy and sensing of protein monolayers using high performance enhancing substrates and a mobile phone (Conference Presentation)

NASA Astrophysics Data System (ADS)

Dana, Aykutlu; Ayas, Sencer; Bakan, Gokhan; Ozgur, Erol; Guner, Hasan; Celebi, Kemal

2016-09-01

Infrared absorption spectroscopy has greatly benefited from the electromagnetic field enhancement offered by plasmonic surfaces. However, because of the localized nature of plasmonic fields, such field enhancements are limited to nm-scale volumes. Here, we demonstrate that a relatively small, but spatially-uniform field enhancement can yield a superior infrared detection performance compared to the plasmonic field enhancement exhibited by optimized infrared nanoantennas. A specifically designed CaF2/Al thin film surface is shown to enable observation of stronger vibrational signals from the probe material, with wider bandwidth and a deeper spatial extent of the field enhancement as compared to optimized plasmonic surfaces. It is demonstrated that the surface structure presented here can enable chemically specific and label-free detection of organic monolayers using surface enhanced infrared spectroscopy. Also, a low cost hand held infrared absorption measurement setup is demonstrated using a miniature bolometric sensor and a mobile phone. A specifically designed grating in combination with an IR light source yields an IR spectrometer covering 7-12 um range, with about 100 cm-1 resolution. Combining the enhancing substrates with the spectroscopy setup, low cost, high sensitivity mobile infrared sensing is enabled. The results have implications in homeland security and environmental monitoring as well as chemical analysis.

Optical re-injection in cavity-enhanced absorption spectroscopy

PubMed Central

Leen, J. Brian; O’Keefe, Anthony

2014-01-01

Non-mode-matched cavity-enhanced absorption spectrometry (e.g., cavity ringdown spectroscopy and integrated cavity output spectroscopy) is commonly used for the ultrasensitive detection of trace gases. These techniques are attractive for their simplicity and robustness, but their performance may be limited by the reflection of light from the front mirror and the resulting low optical transmission. Although this low transmitted power can sometimes be overcome with higher power lasers and lower noise detectors (e.g., in the near-infrared), many regimes exist where the available light intensity or photodetector sensitivity limits instrument performance (e.g., in the mid-infrared). In this article, we describe a method of repeatedly re-injecting light reflected off the front mirror of the optical cavity to boost the cavity's circulating power and deliver more light to the photodetector and thus increase the signal-to-noise ratio of the absorption measurement. We model and experimentally demonstrate the method's performance using off-axis cavity ringdown spectroscopy (OA-CRDS) with a broadly tunable external cavity quantum cascade laser. The power coupled through the cavity to the detector is increased by a factor of 22.5. The cavity loss is measured with a precision of 2 × 10−10 cm−1/\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{upgreek} \\usepackage{mathrsfs} \\setlength{\\oddsidemargin}{-69pt} \\begin{document} }{}$\\sqrt {{\\rm Hz;}}$\\end{document} Hz ; an increase of 12 times over the standard off-axis configuration without reinjection and comparable to the best reported sensitivities in the mid-infrared. Finally, the re-injected CRDS system is used to measure the spectrum of several volatile organic compounds, demonstrating the improved ability to resolve weakly absorbing spectroscopic features. PMID:25273701

Infrared absorption and admittance spectroscopy of Ge quantum dots on a strained SiGe layer

NASA Astrophysics Data System (ADS)

Yakimov, A. I.; Nikiforov, A. I.; Timofeev, V. A.; Dvurechenskii, A. V.

2011-12-01

A combined infrared absorption and admittance spectroscopy is carried out in examining the energy level structure and the hole emission process in self-assembled Ge quantum dots (QDs) placed on a strained Si0.65Ge0.35 quantum well (QW), which, in turn, is incorporated in a Si matrix. In the midinfrared spectral range, the dots exhibit three dominant absorption bands peaked at 130, 250 and 390 meV. By a comparison between absorption measurements and six-band {\\bf k}\\;{\\bm \\cdot}\\;{\\bf p} calculations, the long-wave (~130 meV) resonance is attributed to a transition from the QD hole ground state to the two-dimensional heavy-hole states confined in the Si0.65Ge0.35 layer. The mid-wave absorption band around 390 meV is ascribed to a transition from the QD hole ground state to the three-dimensional continuum states of the Si matrix. An equivalent absorption cross section for these two types of transitions is determined to be 1.2 × 10-15 cm2 and 1.2 × 10-16 cm2, respectively. The origin of the transmission minimum around 250 meV is more ambiguous. We tentatively propose that it can be due to transition either from the highest heavy-hole subband of the Si0.65Ge0.35 QW to continuum states above the Si barrier or from the dot states to the light-hole and split-off subbands of the Si0.65Ge0.35 layer. The photoinduced bleaching of the near-infrared absorption is detected under interband optical excitation of undoped samples. This finding is explained by blocking the interband transitions inside the dots due to the state filling effect. By using the admittance spectroscopy, the mechanism of hole escape from QDs in the presence of an ac vertical electric field is identified. A thermally activated emission from the QD ground state into the two-dimensional states of the Si0.65Ge0.35 well is observed. From the temperature- and frequency-dependent measurements the QD hole ground state is determined to be located ~160 meV below the heavy-hole subband of the Si0.65Ge0

Sediment mineralogy based on visible and near-infrared reflectance spectroscopy

USGS Publications Warehouse

Jarrard, R.D.; Vanden Berg, M.D.; ,

2006-01-01

Visible and near-infrared spectroscopy (VNIS) can be used to measure reflectance spectra (wavelength 350-2500 nm) for sediment cores and samples. A local ground-truth calibration of spectral features to mineral percentages is calculated by measuring reflectance spectra for a suite of samples of known mineralogy. This approach has been tested on powders, core plugs and split cores, and we conclude that it works well on all three, unless pore water is present. Initial VNIS studies have concentrated on determination of relative proportions of carbonate, opal, smectite and illite in equatorial Pacific sediments. Shipboard VNIS-based determination of these four components was demonstrated on Ocean Drilling Program Leg 199. ?? The Geological Society of London 2006.

Laboratory Studies of Organic Compounds With Reflectance Spectroscopy

NASA Astrophysics Data System (ADS)

Curchin, J. M.; Clark, R. N.; Hoefen, T. M.

2007-12-01

In order to properly interpret reflectance spectra of any solar system surface from the earth to the Oort cloud, laboratory spectra of candidate materials for comparative analysis are needed. Although the common cosmochemical species (H2O, CO2, CO, NH3, and CH4) are well represented in the spectroscopic literature, comparatively little reflectance work has been done on organics from room to cryogenic temperatures at visible to near infrared wavelengths. Reflectance spectra not only enhance weak or unseen transmission features, they are also more analogous to spectra obtained by spacecraft that are imaging such bodies as giant planet moons, kuiper belt objects, centaurs, comets and asteroids, as well as remote sensing of the earth. The USGS Spectroscopy Laboratory is measuring reflectance spectra of organic compounds from room to cryogenic temperatures over the spectral range of 0.35 to 15.5 microns. This region encompasses the fundamental absorptions and many overtones and combinations of C, H, O, and N molecular bonds. Because most organic compounds belong to families whose members have similar structure and composition, individual species identification within a narrow wavelength range may be ambiguous. By measuring spectral reflectance of the pure laboratory samples from the visible through the near and mid-infrared, absorption bands unique to each can be observed, cataloged, and compared to planetary reflectance data. We present here spectra of organic compounds belonging to five families: the alkanes, alkenes, alkynes, aromatics, and cyanides. Common to all of these are the deep C-H stretch fundamental absorptions, which shift shortward from 3.35+ microns in alkanes to 3.25+ microns in aromatics, to 3.2+ microns in alkenes, and down to 3.0+ microns in alkynes. Mid-IR absorptions due to C-H bending deformations at 6.8+ and 7.2+ microns are also identified. In the near infrared these stretching and bending fundamentals yield a diagnostic set of combination

Catheter based mid-infrared reflectance and reflectance generated absorption spectroscopy

DOEpatents

Holman, Hoi-Ying N

2013-10-29

A method of characterizing conditions in a tissue, by (a) providing a catheter that has a light source that emits light in selected wavenumbers within the range of mid-IR spectrum; (b) directing the light from the catheter to an area of tissue at a location inside a blood vessel of a subject; (c) collecting light reflected from the location and generating a reflectance spectra; and (d) comparing the reflectance spectra to a reference spectra of normal tissue, whereby a location having an increased number of absorbance peaks at said selected wavenumbers indicates a tissue inside the blood vessel containing a physiological marker for atherosclerosis.

Noninvasive blood glucose sensing on human body with near-infrared reflection spectroscopy

NASA Astrophysics Data System (ADS)

Huang, Zhen-hao; Hao, Chang-ning; Zhang, Lin-lin; Huang, Yan-chao; Shi, Yi-qin; Jiang, Geng-ru; Duan, Jun-li

2011-08-01

The non-invasive blood glucose sensing method has shown its high impact on the clinic application. This can make the measurement on the clinically relevant concentrations of glucose be free from the pain of patient. The transmission spectrum study indicates that the dependence of glucose concentration on the absorbance is in linear manner for the glucose concentration in the region of 30mg/dL to 4.5×104mg/dL. By the near infrared reflection spectroscopy of fiber spectrometer, the reflection band between 1.2μm and 1.35μm can be used to correlated with the glucose concentration in the range of 30 to 300 mg/dL. This reflection band is finally used to measure the glucose concentration effect in non-invasive manner, which gives the statistical significance of P value 0.02. Our experiment result shows that it is possible to get the glucose concentration by the near infrared reflection spectrum measurement on the human forefinger. This non-invasive blood glucose sensing method may useful in clinic after more experiment for different people.

[Rapid determination of fatty acids in soybean oils by transmission reflection-near infrared spectroscopy].

PubMed

Song, Tao; Zhang, Feng-ping; Liu, Yao-min; Wu, Zong-wen; Suo, You-rui

2012-08-01

In the present research, a novel method was established for determination of five fatty acids in soybean oil by transmission reflection-near infrared spectroscopy. The optimum conditions of mathematics model of five components (C16:0, C18:0, C18:1, C18:2 and C18:3) were studied, including the sample set selection, chemical value analysis, the detection methods and condition. Chemical value was analyzed by gas chromatography. One hundred fifty eight samples were selected, 138 for modeling set, 10 for testing set and 10 for unknown sample set. All samples were placed in sample pools and scanned by transmission reflection-near infrared spectrum after sonicleaning for 10 minute. The 1100-2500 nm spectral region was analyzed. The acquisition interval was 2 nm. Modified partial least square method was chosen for calibration mode creating. Result demonstrated that the 1-VR of five fatty acids between the reference value of the modeling sample set and the near infrared spectrum predictive value were 0.8839, 0.5830, 0.9001, 0.9776 and 0.9596, respectively. And the SECV of five fatty acids between the reference value of the modeling sample set and the near infrared spectrum predictive value were 0.42, 0.29, 0.83, 0.46 and 0.21, respectively. The standard error of the calibration (SECV) of five fatty acids between the reference value of testing sample set and the near infrared spectrum predictive value were 0.891, 0.790, 0.900, 0.976 and 0.942, respectively. It was proved that the near infrared spectrum predictive value was linear with chemical value and the mathematical model established for fatty acids of soybean oil was feasible. For validation, 10 unknown samples were selected for analysis by near infrared spectrum. The result demonstrated that the relative standard deviation between predict value and chemical value was less than 5.50%. That was to say that transmission reflection-near infrared spectroscopy had a good veracity in analysis of fatty acids of soybean oil.

[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.

Nanosecond step-scan FT-infrared absorption spectroscopy in photochemistry and catalysis

NASA Astrophysics Data System (ADS)

Frei, H.

1998-06-01

Time-resolved step-scan FT-IR absorption spectroscopy has been expanded to a resolution of 20 nanosecond. Following a description of the experimental set-up, applications in four research areas are presented. In the first project, we discuss a reversible isomerization, namely the bacteriorhodopsin photocycle. Main results are the discovery of 2 processes with distinct kinetics on the nanosecond time scale not detected by previous spectroscopic techniques, and observation of an instantaneous response of the protein environment to chromophore dynamics within the nanosecond laser pulse duration. In a second project, alkane C-H bond activation by a transition metal complex in room temperature solution is investigated and the first measurement of the formation of a C-H insertion product reported (alkyl hydride). Then, a nanosecond study of a pericyclic reaction, the ring-opening of cyclohexadiene, is discussed. The fourth example describes the first observation of a transient molecule in a zeolite matrix, a triplet excited quinone, by time-resolved infrared spectroscopy.

Rapid determination of Swiss cheese composition by Fourier transform infrared/attenuated total reflectance spectroscopy.

PubMed

Rodriguez-Saona, L E; Koca, N; Harper, W J; Alvarez, V B

2006-05-01

There is a need for rapid and simple techniques that can be used to predict the quality of cheese. The aim of this research was to develop a simple and rapid screening tool for monitoring Swiss cheese composition by using Fourier transform infrared spectroscopy. Twenty Swiss cheese samples from different manufacturers and degree of maturity were evaluated. Direct measurements of Swiss cheese slices (approximately 0.5 g) were made using a MIRacle 3-reflection diamond attenuated total reflectance (ATR) accessory. Reference methods for moisture (vacuum oven), protein content (Kjeldahl), and fat (Babcock) were used. Calibration models were developed based on a cross-validated (leave-one-out approach) partial least squares regression. The information-rich infrared spectral range for Swiss cheese samples was from 3,000 to 2,800 cm(-1) and 1,800 to 900 cm(-1). The performance statistics for cross-validated models gave estimates for standard error of cross-validation of 0.45, 0.25, and 0.21% for moisture, protein, and fat respectively, and correlation coefficients r > 0.96. Furthermore, the ATR infrared protocol allowed for the classification of cheeses according to manufacturer and aging based on unique spectral information, especially of carbonyl groups, probably due to their distinctive lipid composition. Attenuated total reflectance infrared spectroscopy allowed for the rapid (approximately 3-min analysis time) and accurate analysis of the composition of Swiss cheese. This technique could contribute to the development of simple and rapid protocols for monitoring complex biochemical changes, and predicting the final quality of the cheese.

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.

Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR FT-IR) Applied to Study the Distribution of Ink Components in Printed Newspapers.

PubMed

Gómez, Nuria; Molleda, Cristina; Quintana, Ester; Carbajo, José M; Rodríguez, Alejandro; Villar, Juan C

2016-09-01

A new method was developed to study how the oil and cyan pigments of cold-set ink are distributed in newspaper thickness. The methodology involved laboratory printing followed by delamination of the printed paper. The unprinted side, printed side, and resulting layers were analyzed using attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR). Three commercial newspapers and black and cyan cold-set inks were chosen for the study. Attenuated total reflection Fourier transform infrared spectroscopy enabled the proportion of oil and cyan pigment on the printed surface and throughout the sheet thickness to be measured. Oil percentage was evaluated as the area increment of the region from 2800 cm(-1) to 3000 cm(-1) The relative amount of cyan pigment was determined as the area of the absorption band at 730 cm(-1) The ink oil was found mainly below half the paper thickness, whereas the pigment was detected at the layers closer to the printed surface, at a depth penetration of less than 15 µm (20% of thickness). Distribution of these two components in paper thickness depended on the type of cold-set ink, the amount of ink transferred, and the newspaper properties. © The Author(s) 2016.

Thermal removal from near-infrared imaging spectroscopy data of the Moon

USGS Publications Warehouse

Clark, R.N.; Pieters, C.M.; Green, R.O.; Boardman, J.W.; Petro, N.E.

2011-01-01

In the near-infrared from about 2 ??m to beyond 3 ??m, the light from the Moon is a combination of reflected sunlight and emitted thermal emission. There are multiple complexities in separating the two signals, including knowledge of the local solar incidence angle due to topography, phase angle dependencies, emissivity, and instrument calibration. Thermal emission adds to apparent reflectance, and because the emission's contribution increases over the reflected sunlight with increasing wavelength, absorption bands in the lunar reflectance spectra can be modified. In particular, the shape of the 2 ??m pyroxene band can be distorted by thermal emission, changing spectrally determined pyroxene composition and abundance. Because of the thermal emission contribution, water and hydroxyl absorptions are reduced in strength, lowering apparent abundances. It is important to quantify and remove the thermal emission for these reasons. We developed a method for deriving the temperature and emissivity from spectra of the lunar surface and removing the thermal emission in the near infrared. The method is fast enough that it can be applied to imaging spectroscopy data on the Moon. Copyright ?? 2011 by the American Geophysical Union.

Thermal removal from near-infrared imaging spectroscopy data of the Moon

USGS Publications Warehouse

Clark, Roger N.; Pieters, Carle M.; Green, Robert O.; Boardman, J.W.; Petro, Noah E.

2011-01-01

In the near-infrared from about 2 μm to beyond 3 μm, the light from the Moon is a combination of reflected sunlight and emitted thermal emission. There are multiple complexities in separating the two signals, including knowledge of the local solar incidence angle due to topography, phase angle dependencies, emissivity, and instrument calibration. Thermal emission adds to apparent reflectance, and because the emission's contribution increases over the reflected sunlight with increasing wavelength, absorption bands in the lunar reflectance spectra can be modified. In particular, the shape of the 2 μm pyroxene band can be distorted by thermal emission, changing spectrally determined pyroxene composition and abundance. Because of the thermal emission contribution, water and hydroxyl absorptions are reduced in strength, lowering apparent abundances. It is important to quantify and remove the thermal emission for these reasons. We developed a method for deriving the temperature and emissivity from spectra of the lunar surface and removing the thermal emission in the near infrared. The method is fast enough that it can be applied to imaging spectroscopy data on the Moon.

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)

Binding of transducin and transducin-derived peptides to rhodopsin studies by attenuated total reflection-Fourier transform infrared difference spectroscopy.

PubMed Central

Fahmy, K

1998-01-01

Fourier transform infrared difference spectroscopy combined with the attenuated total reflection technique allows the monitoring of the association of transducin with bovine photoreceptor membranes in the dark. Illumination causes infrared absorption changes linked to formation of the light-activated rhodopsin-transducin complex. In addition to the spectral changes normally associated with meta II formation, prominent absorption increases occur at 1735 cm-1, 1640 cm-1, 1550 cm-1, and 1517 cm-1. The D2O sensitivity of the broad carbonyl stretching band around 1735 cm-1 indicates that a carboxylic acid group becomes protonated upon formation of the activated complex. Reconstitution of rhodopsin into phosphatidylcholine vesicles has little influence on the spectral properties of the rhodopsin-transducin complex, whereas pH affects the intensity of the carbonyl stretching band. AC-terminal peptide comprising amino acids 340-350 of the transducin alpha-subunit reproduces the frequencies and isotope sensitivities of several of the transducin-induced bands between 1500 and 1800 cm-1, whereas an N-terminal peptide (aa 8-23) does not. Therefore, the transducin-induced absorption changes can be ascribed mainly to an interaction between the transducin-alpha C-terminus and rhodopsin. The 1735 cm-1 vibration is also seen in the complex with C-terminal peptides devoid of free carboxylic acid groups, indicating that the corresponding carbonyl group is located on rhodopsin. PMID:9726932

Characterization of Carrier Concentration and Mobility in n-type SiC Wafers Using Infrared Reflectance Spectroscopy

NASA Astrophysics Data System (ADS)

Narita, Katsutoshi; Hijikata, Yasuto; Yaguchi, Hiroyuki; Yoshida, Sadafumi; Nakashima, Shinichi

2004-08-01

We have estimated the free-carrier concentration and drift mobility in n-type 6H-SiC wafers in the carrier concentration range of 1017-1019 cm-3 from far- and mid-infrared (30-2000 cm-1) reflectance spectra obtained at room temperature. A modified classical dielectric function model was employed for the analysis. We found good agreement between the electrical properties derived from infrared reflectance spectroscopy and those derived from Hall effect measurements. We have demonstrated the spatial mapping of carrier concentration and mobility for commercially produced 2 inch SiC wafers.

Influence of earlobe thickness on near infrared spectroscopy

NASA Astrophysics Data System (ADS)

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

2017-03-01

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

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

PubMed

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

2013-01-02

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

Assessment of Various Organic Matter Properties by Infrared Reflectance Spectroscopy of Sediments and Filters

NASA Astrophysics Data System (ADS)

Alaoui, G.; Leger, M.; Gagne, J.; Tremblay, L.

2009-05-01

The goal of this work was to evaluate the capability of infrared reflectance spectroscopy for a fast quantification of the elemental and molecular compositions of sedimentary and particulate organic matter (OM). A partial least-squares (PLS) regression model was used for analysis and values were compared to those obtained by traditional methods (i.e., elemental, humic and HPLC analyses). PLS tools are readily accessible from software such as GRAMS (Thermo-Fisher) used in spectroscopy. This spectroscopic-chemometric approach has several advantages including its rapidity and use of whole unaltered samples. To predict properties, a set of infrared spectra from representative samples must first be fitted to form a PLS calibration model. In this study, a large set (180) of sediments and particles on GFF filters from the St. Lawrence estuarine system were used. These samples are very heterogenous (e.g., various tributaries, terrigenous vs. marine, events such as landslides and floods) and thus represent a challenging test for PLS prediction. For sediments, the infrared spectra were obtained with a diffuse reflectance, or DRIFT, accessory. Sedimentary carbon, nitrogen, humic substance contents as well as humic substance proportions in OM and N:C ratios were predicted by PLS. The relative root mean square error of prediction (%RMSEP) for these properties were between 5.7% (humin content) and 14.1% (total humic substance yield) using the cross-validation, or leave-one out, approach. The %RMSEP calculated by PLS for carbon content was lower with the PLS model (7.6%) than with an external calibration method (11.7%) (Tremblay and Gagné, 2002, Anal. Chem., 74, 2985). Moreover, the PLS approach does not require the extraction of POM needed in external calibration. Results highlighted the importance of using a PLS calibration set representative of the unknown samples (e.g., same area). For filtered particles, the infrared spectra were obtained using a novel approach based on

Quantification of atmospheric formaldehyde by infrared absorption spectroscopy

NASA Astrophysics Data System (ADS)

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

2017-04-01

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

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.

Broadband infrared absorption enhancement by electroless-deposited silver nanoparticles

NASA Astrophysics Data System (ADS)

Gritti, Claudia; Raza, Søren; Kadkhodazadeh, Shima; Kardynal, Beata; Malureanu, Radu; Mortensen, N. Asger; Lavrinenko, Andrei V.

2017-01-01

Decorating semiconductor surfaces with plasmonic nanoparticles (NPs) is considered a viable solution for enhancing the absorptive properties of photovoltaic and photodetecting devices. We propose to deposit silver NPs on top of a semiconductor wafer by a cheap and fast electroless plating technique. Optical characterization confirms that the random array of electroless-deposited NPs improves absorption by up to 20% in a broadband of near-infrared frequencies from the bandgap edge to 2000 nm. Due to the small filling fraction of particles, the reflection in the visible range is practically unchanged, which points to the possible applications of such deposition method for harvesting photons in nanophotonics and photovoltaics. The broadband absorption is a consequence of the resonant behavior of particles with different shapes and sizes, which strongly localize the incident light at the interface of a high-index semiconductor substrate. Our hypothesis is substantiated by examining the plasmonic response of the electroless-deposited NPs using both electron energy loss spectroscopy and numerical calculations.

Fusion of Ultraviolet-Visible and Infrared Transient Absorption Spectroscopy Data to Model Ultrafast Photoisomerization.

PubMed

Debus, Bruno; Orio, Maylis; Rehault, Julien; Burdzinski, Gotard; Ruckebusch, Cyril; Sliwa, Michel

2017-08-03

Ultrafast photoisomerization reactions generally start at a higher excited state with excess of internal vibrational energy and occur via conical intersections. This leads to ultrafast dynamics which are difficult to investigate with a single transient absorption spectroscopy technique, be it in the ultraviolet-visible (UV-vis) or infrared (IR) domain. On one hand, the information available in the UV-vis domain is limited as only slight spectral changes are observed for different isomers. On the other hand, the interpretation of vibrational spectra is strongly hindered by intramolecular relaxation and vibrational cooling. These limitations can be circumvented by fusing UV-vis and IR transient absorption spectroscopy data in a multiset multivariate curve resolution analysis. We apply this approach to describe the spectrodynamics of the ultrafast cis-trans photoisomerization around the C-N double bond observed for aromatic Schiff bases. Twisted intermediate states could be elucidated, and isomerization was shown to occur through a continuous complete rotation. More broadly, data fusion can be used to rationalize a vast range of ultrafast photoisomerization processes of interest in photochemistry.

Quantitative reflectance spectroscopy of buddingtonite from the Cuprite mining district, Nevada

NASA Technical Reports Server (NTRS)

Felzer, Benjamin; Hauff, Phoebe; Goetz, Alexander F. H.

1994-01-01

Buddingtonite, an ammonium-bearing feldspar diagnostic of volcanic-hosted alteration, can be identified and, in some cases, quantitatively measured using short-wave infrared (SWIR) reflectance spectroscopy. In this study over 200 samples from Cuprite, Nevada, were evaluated by X ray diffraction, chemical analysis, scanning electron microscopy, and SWIR reflectance spectroscopy with the objective of developing a quantitative remote-sensing technique for rapid determination of the amount of ammonium or buddingtonite present, and its distribution across the site. Based upon the Hapke theory of radiative transfer from particulate surfaces, spectra from quantitative, physical mixtures were compared with computed mixture spectra. We hypothesized that the concentration of ammonium in each sample is related to the size and shape of the ammonium absorption bands and tested this hypothesis for samples of relatively pure buddingtonite. We found that the band depth of the 2.12-micron NH4 feature is linearly related to the NH4 concentration for the Cuprite buddingtonite, and that the relationship is approximately exponential for a larger range of NH4 concentrations. Associated minerals such as smectite and jarosite suppress the depth of the 2.12-micron NH4 absorption band. Quantitative reflectance spectroscopy is possible when the effects of these associated minerals are also considered.

Determination of true optical absorption and scattering coefficient of wooden cell wall substance by time-of-flight near infrared spectroscopy.

PubMed

Kitamura, Ryunosuke; Inagaki, Tetsuya; Tsuchikawa, Satoru

2016-02-22

The true absorption coefficient (μa) and reduced scattering coefficient (μ´s) of the cell wall substance in Douglas fir were determined using time-of-flight near infrared spectroscopy. Samples were saturated with hexane, toluene or quinolone to minimize the multiple reflections of light on the boundary between pore-cell wall substance in wood. μ´s exhibited its minimum value when the wood was saturated with toluene because the refractive index of toluene is close to that of the wood cell wall substance. The optical parameters of the wood cell wall substance calculated were μa = 0.030 mm(-1) and μ´s= 18.4 mm(-1). Monte Carlo simulations using these values were in good agreement with the measured time-resolved transmittance profiles.

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 .

Surface plasmon resonance near-infrared spectroscopy.

PubMed

Ikehata, Akifumi; Itoh, Tamitake; Ozaki, Yukihiro

2004-11-01

Near-infrared (NIR) spectroscopy is ill-suited to microanalysis because of its low absorptivity. We have developed a highly sensitive detection method for NIR spectroscopy based on absorption-sensitive surface plasmon resonance (SPR). The newly named SPR-NIR spectroscopy, which may open the way for NIR spectroscopy in microanalysis and surface science, is realized by an attachment of the Kretschmann configuration equipped with a mechanism for fine angular adjustment of incident light. The angular sweep of incident light enables us to make a tuning of a SPR peak for an absorption band of sample medium. From the dependences of wavelength, incident angle, and thickness of a gold film on the intensity of the SPR peak, it has been found that the absorbance can be enhanced by approximately 100 times compared with the absorbance obtained without the gold film under optimum conditions. This article reports the details of the experimental setup and the characteristics of absorption-sensitive SPR in the NIR region, together with some experimental results obtained by using it.

The Bone Black Pigment Identification by Noninvasive, In Situ Infrared Reflection Spectroscopy

PubMed Central

Malagodi, Marco; Vagnini, Manuela

2018-01-01

Two real case studies, an oil painting on woven paper and a cycle of mural paintings, have been presented to validate the use of infrared reflection spectroscopy as suitable technique for the identification of bone black pigment. By the use of the sharp weak band at 2013 cm−1, it has been possible to distinguish animal carbon-based blacks by a noninvasive method. Finally, an attempt for an eventual assignment for the widely used sharp band at 2013 cm−1 is discussed. PMID:29736290

Surface electrochemistry of CO on reconstructed gold single crystal surfaces studied by infrared reflection absorption spectroscopy and rotating disk electrode.

PubMed

Blizanac, Berislav B; Arenz, Matthias; Ross, Philip N; Marković, Nenad M

2004-08-18

The electrooxidation of CO has been studied on reconstructed gold single-crystal surfaces by a combination of electrochemical (EC) and infrared reflection absorption spectroscopy (IRAS) measurements. Emphasis is placed on relating the vibrational properties of the CO adlayer to the voltammetric and other macroscopic electrochemical responses, including rotating disk electrode measurements of the catalytic activity. The IRAS data show that the C-O stretching frequencies are strongly dependent on the surface orientation and can be observed in the range 1940-1990 cm(-1) for the 3-fold bridging, 2005-2070 cm(-1) for the 2-fold bridging, and 2115-2140 for the terminal position. The most complex CO spectra are found for the Au(110)-(1 x 2) surface, i.e., a band near 1965 cm(-1), with the second, weaker band shifted positively by about 45 cm(-1) and, finally, a weak band near 2115 cm(-1). While the C-O stretching frequencies for a CO adlayer adsorbed on Au(111)-(1 x 23) show nu(CO) bands at 2029-2069 cm(-1) and at 1944-1986 cm(-1), on the Au(100)-"hex" surface a single CO band is observed at 2004-2029 cm(-1). In the "argon-purged" solution, the terminal nu(CO) band on Au(110)-(1 x 2) and the 3-fold bridging band on the Au(111)-(1 x 23) disappear entirely. The IRAS/EC data show that the kinetics of CO oxidation are structure sensitive; i.e., the onset of CO oxidation increases in the order Au(110)-(1 x 2) > or = Au(100)-"hex" > Au(111)-(1 x 23). Possible explanations for the structure sensitivity are discussed.

Nonlinear photothermal mid-infrared spectroscopy

NASA Astrophysics Data System (ADS)

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

2016-10-01

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

Analysis of Total Oil and Fatty Acids Composition by Near Infrared Reflectance Spectroscopy in Edible Nuts

USDA-ARS?s Scientific Manuscript database

Near Infrared (NIR) Reflectance spectroscopy has established itself as an important tool in quantifying water and oil present in various food materials. It is rapid and nondestructive, easier to use, and does not require processing the samples with corrosive chemicals that would render them non-edib...

Simultaneous quantitative determination of benzene, toluene, and xylenes in water using mid-infrared evanescent field spectroscopy.

PubMed

Karlowatz, M; Kraft, M; Mizaikoff, B

2004-05-01

Attenuated total reflection mid-infrared spectroscopy is applied for simultaneous detection and quantification of the environmentally relevant analytes benzene, toluene, and the three xylene isomers. The analytes are enriched into a thin polymer membrane coated onto the surface of an internal reflection waveguide, which is exposed to the aqueous sample. Direct detection of analytes permeating into the polymer coating is performed by utilizing evanescent field spectroscopy in the fingerprint range (>10 microm) of the mid-infrared (MIR) spectrum (3-20 microm) without additional sample preparation. All investigated compounds are characterized by well-separated absorption features in the evaluated wavelength regime. Hence, data evaluation was performed by integration of the respective absorption peaks. Limits of detection lower than 20 ppb (v/v) for all xylene isomers, 45 ppb (v/v) for benzene, and 80 ppb (v/v) for toluene have been achieved. The straightforward experimental setup and the achieved detection limits for these environmentally relevant volatile organic compounds in the low-ppb concentration range reveal a substantial potential of MIR evanescent field sensing devices for on-line in situ environmental analysis.

Non-invasive identification of organic materials in historical stringed musical instruments by reflection infrared spectroscopy: a methodological approach.

PubMed

Invernizzi, Claudia; Daveri, Alessia; Vagnini, Manuela; Malagodi, Marco

2017-05-01

The analysis of historical musical instruments is becoming more relevant and the interest is increasingly moving toward the non-invasive reflection FTIR spectroscopy, especially for the analysis of varnishes. In this work, a specific infrared reflectance spectral library of organic compounds was created with the aim of identifying musical instrument materials in a totally non-invasive way. The analyses were carried out on pure organic compounds, as bulk samples and laboratory wooden models, to evaluate the diagnostic reflection mid-infrared (MIR) bands of proteins, polysaccharides, lipids, and resins by comparing reflection spectra before and after the KK correction. This methodological approach was applied to real case studies represented by four Stradivari violins and a Neapolitan mandolin.

Development of ultralow energy (1–10 eV) ion scattering spectrometry coupled with reflection absorption infrared spectroscopy and temperature programmed desorption for the investigation of molecular solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bag, Soumabha; Bhuin, Radha Gobinda; Methikkalam, Rabin Rajan J.

2014-01-15

Extremely surface specific information, limited to the first atomic layer of molecular surfaces, is essential to understand the chemistry and physics in upper atmospheric and interstellar environments. Ultra low energy ion scattering in the 1–10 eV window with mass selected ions can reveal extremely surface specific information which when coupled with reflection absorption infrared (RAIR) and temperature programmed desorption (TPD) spectroscopies, diverse chemical and physical properties of molecular species at surfaces could be derived. These experiments have to be performed at cryogenic temperatures and at ultra high vacuum conditions without the possibility of collisions of neutrals and background deposition inmore » view of the poor ion intensities and consequent need for longer exposure times. Here we combine a highly optimized low energy ion optical system designed for such studies coupled with RAIR and TPD and its initial characterization. Despite the ultralow collision energies and long ion path lengths employed, the ion intensities at 1 eV have been significant to collect a scattered ion spectrum of 1000 counts/s for mass selected CH{sub 2}{sup +}.« less

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

Quantitative analysis of binary polymorphs mixtures of fusidic acid by diffuse reflectance FTIR spectroscopy, diffuse reflectance FT-NIR spectroscopy, Raman spectroscopy and multivariate calibration.

PubMed

Guo, Canyong; Luo, Xuefang; Zhou, Xiaohua; Shi, Beijia; Wang, Juanjuan; Zhao, Jinqi; Zhang, Xiaoxia

2017-06-05

Vibrational spectroscopic techniques such as infrared, near-infrared and Raman spectroscopy have become popular in detecting and quantifying polymorphism of pharmaceutics since they are fast and non-destructive. This study assessed the ability of three vibrational spectroscopy combined with multivariate analysis to quantify a low-content undesired polymorph within a binary polymorphic mixture. Partial least squares (PLS) regression and support vector machine (SVM) regression were employed to build quantitative models. Fusidic acid, a steroidal antibiotic, was used as the model compound. It was found that PLS regression performed slightly better than SVM regression in all the three spectroscopic techniques. Root mean square errors of prediction (RMSEP) were ranging from 0.48% to 1.17% for diffuse reflectance FTIR spectroscopy and 1.60-1.93% for diffuse reflectance FT-NIR spectroscopy and 1.62-2.31% for Raman spectroscopy. The results indicate that diffuse reflectance FTIR spectroscopy offers significant advantages in providing accurate measurement of polymorphic content in the fusidic acid binary mixtures, while Raman spectroscopy is the least accurate technique for quantitative analysis of polymorphs. Copyright © 2017 Elsevier B.V. All rights reserved.

Infrared Absorption Spectroscopy and Chemical Kinetics of Free Radicals, Final Technical Report

DOE R&D Accomplishments Database

Curl, Robert F.; Glass, Graham P.

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.

Diffuse-reflectance fourier-transform mid-infrared spectroscopy as a method of characterizing changes in soil organic matter

USDA-ARS?s Scientific Manuscript database

Diffuse-Reflectance Fourier-Transform Mid-Infrared Spectroscopy (MidIR) can identify the presence of important organic functional groups in soil organic matter (SOM). Soils contain myriad organic and inorganic components that absorb in the MidIR so spectral interpretation needs to be validated in or...

Secondary cell wall development in cotton fibers as examined with attenuated total reflection Fourier transform infrared spectroscopy

USDA-ARS?s Scientific Manuscript database

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-IR) spectroscopy. The selected harvesting points coincide with secondary cell wall (SCW) development in the fibers. Progressive but moderat...

Measuring cloud thermodynamic phase with shortwave infrared imaging spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thompson, David R.; McCubbin, Ian; Gao, Bo Cai

Shortwave Infrared imaging spectroscopy enables accurate remote mapping of cloud thermodynamic phase at high spatial resolution. We describe a measurement strategy to exploit signatures of liquid and ice absorption in cloud top apparent reflectance spectra from 1.4 to 1.8 μm. This signal is generally insensitive to confounding factors such as solar angles, view angles, and surface albedo. We first evaluate the approach in simulation and then apply it to airborne data acquired in the Calwater-2/ACAPEX campaign of Winter 2015. Here NASA’s “Classic” Airborne Visible Infrared Imaging Spectrometer (AVIRIS-C) remotely observed diverse cloud formations while the U.S. Department of Energy ARMmore » Aerial Facility G-1 aircraft measured cloud integral and microphysical properties in situ. Finally, the coincident measurements demonstrate good separation of the thermodynamic phases for relatively homogeneous clouds.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iwasa, Takeshi, E-mail: tiwasa@mail.sci.hokudai.ac.jp; Takenaka, Masato; Taketsugu, Tetsuya

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.more » 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.« less

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.

[The study of CO2 cavity enhanced absorption and highly sensitive absorption spectroscopy].

PubMed

Pei, Shi-Xin; Gao, Xiao-Ming; Cui, Fen-Ping; Huang, Wei; Shao, Jie; Fan, Hong; Zhang, Wei-Jun

2005-12-01

Cavity enhanced absorption spectroscopy (CEAS) is a new spectral technology that is based on the cavity ring down absorption spectroscopy. In the present paper, a DFB encapsulation narrow line width tunable diode laser (TDL) was used as the light source. At the center output, the TDL radiation wavelength was 1.573 microm, and an optical cavity, which consisted of two high reflectivity mirrors (near 1.573 microm, the mirror reflectivity was about 0.994%), was used as a sample cell. A wavemeter was used to record the accurate frequency of the laser radiation. In the experiment, the method of scanning the optical cavity to change the cavity mode was used, when the laser frequency was coincident with one of the cavity mode; the laser radiation was coupled into the optical cavity and the detector could receive the light signals that escaped the optical cavity. As a result, the absorption spectrum of carbon dioxide weak absorption at low pressure was obtained with an absorption intensity of 1.816 x 10(-23) cm(-1) x (molecule x cm(-2)(-1) in a sample cell with a length of only 33.5 cm. An absorption sensitivity of about 3.62 x 10(-7) cm(-1) has been achieved. The experiment result indicated that the cavity enhanced absorption spectroscopy has the advantage of high sensivity, simple experimental setup, and easy operation.

Detection of canine skin and subcutaneous tumors by visible and near-infrared diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Cugmas, Blaž; Plavec, Tanja; Bregar, Maksimilijan; Naglič, Peter; Pernuš, Franjo; Likar, Boštjan; Bürmen, Miran

2015-03-01

Cancer is the main cause of canine morbidity and mortality. The existing evaluation of tumors requires an experienced veterinarian and usually includes invasive procedures (e.g., fine-needle aspiration) that can be unpleasant for the dog and the owner. We investigate visible and near-infrared diffuse reflectance spectroscopy (DRS) as a noninvasive optical technique for evaluation and detection of canine skin and subcutaneous tumors ex vivo and in vivo. The optical properties of tumors and skin were calculated in a spectrally constrained manner, using a lookup table-based inverse model. The obtained optical properties were analyzed and compared among different tumor groups. The calculated parameters of the absorption and reduced scattering coefficients were subsequently used for detection of malignant skin and subcutaneous tumors. The detection sensitivity and specificity of malignant tumors ex vivo were 90.0% and 73.5%, respectively, while corresponding detection sensitivity and specificity of malignant tumors in vivo were 88.4% and 54.6%, respectively. The obtained results show that the DRS is a promising noninvasive optical technique for detection and classification of malignant and benign canine skin and subcutaneous tumors. The method should be further investigated on tumors with common origin.

Nanostructured diamond layers enhance the infrared spectroscopy of biomolecules.

PubMed

Kozak, Halyna; Babchenko, Oleg; Artemenko, Anna; Ukraintsev, Egor; Remes, Zdenek; Rezek, Bohuslav; Kromka, Alexander

2014-03-04

We report on the fabrication and practical use of high-quality optical elements based on Au mirrors coated with diamond layers with flat, nanocolumnar, and nanoporous morphologies. Diamond layers (100 nm thickness) are grown at low temperatures (about 300 °C) from a methane, carbon dioxide, and hydrogen gas mixture by a pulsed microwave plasma system with linear antennas. Using grazing angle reflectance (GAR) Fourier transform infrared spectroscopy with p-polarized light, we compare the IR spectra of fetal bovine serum proteins adsorbed on diamond layers with oxidized (hydrophilic) surfaces. We show that the nanoporous diamond layers provide IR spectra with a signal gain of about 600% and a significantly improved sensitivity limit. This is attributed to its enhanced internal surface area. The improved sensitivity enabled us to distinguish weak infrared absorption peaks of <10-nm-thick protein layers and thereby to analyze the intimate diamond-molecule interface.

Frequency-domain optical absorption spectroscopy of finite tissue volumes using diffusion theory.

PubMed

Pogue, B W; Patterson, M S

1994-07-01

The goal of frequency-domain optical absorption spectroscopy is the non-invasive determination of the absorption coefficient of a specific tissue volume. Since this allows the concentration of endogenous and exogenous chromophores to be calculated, there is considerable potential for clinical application. The technique relies on the measurement of the phase and modulation of light, which is diffusely reflected or transmitted by the tissue when it is illuminated by an intensity-modulated source. A model of light propagation must then be used to deduce the absorption coefficient. For simplicity, it is usual to assume the tissue is either infinite in extent (for transmission measurements) or semi-infinite (for reflectance measurements). The goal of this paper is to examine the errors introduced by these assumptions when measurements are actually performed on finite volumes. Diffusion-theory calculations and experimental measurements were performed for slabs, cylinders and spheres with optical properties characteristic of soft tissues in the near infrared. The error in absorption coefficient is presented as a function of object size as a guideline to when the simple models may be used. For transmission measurements, the error is almost independent of the true absorption coefficient, which allows absolute changes in absorption to be measured accurately. The implications of these errors in absorption coefficient for two clinical problems--quantitation of an exogenous photosensitizer and measurement of haemoglobin oxygenation--are presented and discussed.

Functionalizing a Tapered Microcavity as a Gas Cell for On-Chip Mid-Infrared Absorption Spectroscopy

PubMed Central

Mandon, Julien; Harren, Frans J. M.; Wolffenbuttel, Reinoud F.

2017-01-01

Increasing demand for field instruments designed to measure gas composition has strongly promoted the development of robust, miniaturized and low-cost handheld absorption spectrometers in the mid-infrared. Efforts thus far have focused on miniaturizing individual components. However, the optical absorption path that the light beam travels through the sample defines the length of the gas cell and has so far limited miniaturization. Here, we present a functionally integrated linear variable optical filter and gas cell, where the sample to be measured is fed through the resonator cavity of the filter. By using multiple reflections from the mirrors on each side of the cavity, the optical absorption path is elongated from the physical μm-level to the effective mm-level. The device is batch-fabricated at the wafer level in a CMOS-compatible approach. The optical performance is analyzed using the Fizeau interferometer model and demonstrated with actual gas measurements. PMID:28878167

Estimating soil zinc concentrations using reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Sun, Weichao; Zhang, Xia

2017-06-01

Soil contamination by heavy metals has been an increasingly severe threat to nature environment and human health. Efficiently investigation of contamination status is essential to soil protection and remediation. Visible and near-infrared reflectance spectroscopy (VNIRS) has been regarded as an alternative for monitoring soil contamination by heavy metals. Generally, the entire VNIR spectral bands are employed to estimate heavy metal concentration, which lacks interpretability and requires much calculation. In this study, 74 soil samples were collected from Hunan Province, China and their reflectance spectra were used to estimate zinc (Zn) concentration in soil. Organic matter and clay minerals have strong adsorption for Zn in soil. Spectral bands associated with organic matter and clay minerals were used for estimation with genetic algorithm based partial least square regression (GA-PLSR). The entire VNIR spectral bands, the bands associated with organic matter and the bands associated with clay minerals were incorporated as comparisons. Root mean square error of prediction, residual prediction deviation, and coefficient of determination (R2) for the model developed using combined bands of organic matter and clay minerals were 329.65 mg kg-1, 1.96 and 0.73, which is better than 341.88 mg kg-1, 1.89 and 0.71 for the entire VNIR spectral bands, 492.65 mg kg-1, 1.31 and 0.40 for the organic matter, and 430.26 mg kg-1, 1.50 and 0.54 for the clay minerals. Additionally, in consideration of atmospheric water vapor absorption in field spectra measurement, combined bands of organic matter and absorption around 2200 nm were used for estimation and achieved high prediction accuracy with R2 reached 0.640. The results indicate huge potential of soil reflectance spectroscopy in estimating Zn concentrations in soil.

Photoacoustic-based detector for infrared laser spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scholz, L.; Palzer, S., E-mail: stefan.palzer@imtek.uni-freiburg.de

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 densitymore » and pressure inside the cell are constant. We demonstrate that the information extracted by our method is at least equivalent to that achieved using a semiconductor-based photon detector. As exemplary and highly relevant target gas, we have performed direct spectroscopy of methane at the R3-line of the 2v{sub 3} band at 6046.95 cm{sup −1} using both detector technologies in parallel. The results may be transferred to other infrared-active transitions without loss of generality.« less

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

PubMed

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

2016-01-15

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

[Infrared spectroscopy and XRD studies of coral fossils].

PubMed

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

2012-08-01

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

Measurement of temperature profiles in flames by emission-absorption spectroscopy

NASA Technical Reports Server (NTRS)

Simmons, F. S.; Arnold, C. B.; Lindquist, G. H.

1972-01-01

An investigation was conducted to explore the use of infrared and ultraviolet emission-absorption spectroscopy for determination of temperature profiles in flames. Spectral radiances and absorptances were measured in the 2.7-micron H2O band and the 3064-A OH band in H2/O2 flames for several temperature profiles which were directly measured by a sodium line-reversal technique. The temperature profiles, determined by inversion of the infrared and ultraviolet spectra, showed an average disagreement with line-reversal measurements of 50 K for the infrared and 200 K for the ultraviolet at a temperature of 2600 K. The reasons for these discrepancies are discussed in some detail.

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

PubMed

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

2013-09-20

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

Tunable Nanoantennas for Surface Enhanced Infrared Absorption Spectroscopy by Colloidal Lithography and Post-Fabrication Etching

NASA Astrophysics Data System (ADS)

Chen, Kai; Duy Dao, Thang; Nagao, Tadaaki

2017-03-01

We fabricated large-area metallic (Al and Au) nanoantenna arrays on Si substrates using cost-effective colloidal lithography with different micrometer-sized polystyrene spheres. Variation of the sphere size leads to tunable plasmon resonances in the middle infrared (MIR) range. The enhanced near-fields allow us to detect the surface phonon polaritons in the natural SiO2 thin layers. We demonstrated further tuning capability of the resonances by employing dry etching of the Si substrates with the nanoantennas acting as the etching masks. The effective refractive index of the nanoantenna surroundings is efficiently decreased giving rise to blueshifts of the resonances. In addition, partial removal of the Si substrates elevates the nanoantennas from the high-refractive-index substrates making more enhanced near-fields accessible for molecular sensing applications as demonstrated here with surface-enhanced infrared absorption (SEIRA) spectroscopy for a thin polymer film. We also directly compared the plasmonic enhancement from the Al and Au nanoantenna arrays.

Quantification of betaglucans, lipid and protein contents in whole oat groats (Avena sativa L.) using near infrared reflectance spectroscopy

USDA-ARS?s Scientific Manuscript database

Whole oat has been described as an important healthy food for humans due to its beneficial nutritional components. Near infrared reflectance spectroscopy (NIRS) is a powerful, fast, accurate and non-destructive analytical tool that can be substituted for some traditional chemical analysis. A total o...

Evaluation of photostability of solid-state nicardipine hydrochloride polymorphs by using Fourier-transformed reflection-absorption infrared spectroscopy - effect of grinding on the photostability of crystal form.

PubMed

Teraoka, Reiko; Otsuka, Makoto; Matsuda, Yoshihisa

2004-11-22

Photostability and physicochemical properties of nicardipine hydrochloride polymorphs (alpha- and beta-form) were studied by using Fourier-transformed reflection-absorption infrared spectroscopy (FT-IR-RAS) of the tablets, X-ray powder diffraction analysis, differential scanning calorimetry (DSC), and color difference measurement. It was clear from the results of FT-IR-RAS spectra after irradiation that nicardipine hydrochloride in the solid state decomposed to its pyridine derivative when exposed to light. The photostability of the ground samples of two forms was also measured in the same manner. The two crystalline forms of the drug changed to nearly amorphous form after 150 min grinding in a mixer mill. X-ray powder diffraction patterns of those ground samples showed almost halo patterns. The nicardipine hydrochloride content on the surface of the tablet was determined based on the absorbance at 1700 cm(-1) attributable to the C=O stretch vibration in FT-IR-RAS spectra before and after irradiation by fluorescent lamp (3500 lx). The photodegradation followed apparently the first-order kinetics for any sample. The apparent photodegradation rate constant of beta-form was greater than that of alpha-form. The ground samples decomposed rapidly under the same light irradiation as compared with the intact crystalline forms. The photodegradation rate constant decreased with increase of the heat of fusion. copyright 2004 Elsevier B.V.

Magneto-optical far-infrared absorption spectroscopy of the hole states of indium phosphide

NASA Astrophysics Data System (ADS)

Lewis, R. A.; Wang, Y.-J.

2005-03-01

Far-infrared absorption spectroscopy in magnetic fields of up to 30 T of the zinc acceptor impurity in indium phosphide has revealed for the first time a series of free-hole transitions (Landau-related series) in addition to the familiar bound-hole transitions (Lyman series) as well as hitherto unobserved phonon replicas of both series. Analysis of these data permits the simultaneous direct experimental determination of (i) the hole effective mass, (ii) the species-specific binding energy of the acceptor impurity, (iii) the absolute energy levels of the acceptor excited states of both odd and even parity, (iv) more reliable, and in some cases the only, g factors for acceptor states, through relaxation of the selection rules for phonon replicas, and (v) the LO phonon energy. The method is applicable to other semiconductors and may lead to the reappraisal of their physical parameters.

Nanomaterial-Based Plasmon-Enhanced Infrared Spectroscopy.

PubMed

Yang, Xiaoxia; Sun, Zhipei; Low, Tony; Hu, Hai; Guo, Xiangdong; García de Abajo, F Javier; Avouris, Phaedon; Dai, Qing

2018-05-01

Surface-enhanced infrared absorption (SEIRA) has attracted increasing attention due to the potential of infrared spectroscopy in applications such as molecular trace sensing of solids, polymers, and proteins, specifically fueled by recent substantial developments in infrared plasmonic materials and engineered nanostructures. Here, the significant progress achieved in the past decades is reviewed, along with the current state of the art of SEIRA. In particular, the plasmonic properties of a variety of nanomaterials are discussed (e.g., metals, semiconductors, and graphene) along with their use in the design of efficient SEIRA configurations. To conclude, perspectives on potential applications, including single-molecule detection and in vivo bioassays, are presented. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Determination of protein concentration in raw milk by mid-infrared fourier transform infrared/attenuated total reflectance spectroscopy.

PubMed

Etzion, Y; Linker, R; Cogan, U; Shmulevich, I

2004-09-01

This study investigates the potential use of attenuated total reflectance spectroscopy in the mid-infrared range for determining protein concentration in raw cow milk. The determination of protein concentration is based on the characteristic absorbance of milk proteins, which includes 2 absorbance bands in the 1500 to 1700 cm(-1) range, known as the amide I and amide II bands, and absorbance in the 1060 to 1100 cm(-1) range, which is associated with phosphate groups covalently bound to casein proteins. To minimize the influence of the strong water band (centered around 1640 cm(-1)) that overlaps with the amide I and amide II bands, an optimized automatic procedure for accurate water subtraction was applied. Following water subtraction, the spectra were analyzed by 3 methods, namely simple band integration, partial least squares (PLS) and neural networks. For the neural network models, the spectra were first decomposed by principal component analysis (PCA), and the neural network inputs were the spectra principal components scores. In addition, the concentrations of 2 constituents expected to interact with the protein (i.e., fat and lactose) were also used as inputs. These approaches were tested with 235 spectra of standardized raw milk samples, corresponding to 26 protein concentrations in the 2.47 to 3.90% (weight per volume) range. The simple integration method led to very poor results, whereas PLS resulted in prediction errors of about 0.22% protein. The neural network approach led to prediction errors of 0.20% protein when based on PCA scores only, and 0.08% protein when lactose and fat concentrations were also included in the model. These results indicate the potential usefulness of Fourier transform infrared/attenuated total reflectance spectroscopy for rapid, possibly online, determination of protein concentration in raw milk.

Prediction of Cortisol and Progesterone Concentrations in Cow Hair Using Near-Infrared Reflectance Spectroscopy (NIRS).

PubMed

Tallo-Parra, Oriol; Albanell, Elena; Carbajal, Annais; Monclús, Laura; Manteca, Xavier; Lopez-Bejar, Manel

2017-08-01

Concentrations of different steroid hormones have been used in cows as a measure of adrenal or gonadal activity and, thus, as indicators of stress or reproductive state. Detecting cortisol and progesterone in cow hair provides a long-term integrative value of retrospective adrenal or gonadal/placental activity, respectively. Current techniques for steroid detection require a hormone-extraction procedure that involves time, several types of equipment, management of reagents, and some assay procedures (which can also be time-consuming and can destroy the samples). In contrast, near-infrared reflectance spectroscopy (NIRS) is a multi-component predictor technique, characterized as rapid, nondestructive for the sample, and reagent-free. However, as a predictor technique, NIRS needs to be calibrated and validated for each matrix, hormone, and species. The main objective of this study was to evaluate the predictive value of the NIRS technique for hair cortisol and progesterone quantification in cows by using specific enzyme immunoassay as a reference method. Hair samples from 52 adult Friesian lactating cows from a commercial dairy farm were used. Reflectance spectra of hair samples were determined with a NIR reflectance spectrophotometer before and after trimming them. Although similar results were obtained, a slightly better relationship between the reference data and NIRS predicted values was found using trimmed samples. Near infrared reflectance spectroscopy demonstrated its ability to predict cortisol and progesterone concentrations with certain accuracy (R 2  = 0.90 for cortisol and R 2  = 0.87 for progesterone). Although NIRS is far from being a complete alternative to current methodologies, the proposed equations can offer screening capability. Considering the advantages of both fields, our results open the possibility for future work on the combination of hair steroid measurement and NIRS methodology.

Attenuated Total Reflection Mid-Infrared (ATR-MIR) Spectroscopy and Chemometrics for the Identification and Classification of Commercial Tannins.

PubMed

Ricci, Arianna; Parpinello, Giuseppina P; Olejar, Kenneth J; Kilmartin, Paul A; Versari, Andrea

2015-11-01

Attenuated total reflection Fourier transform infrared (FT-IR) spectroscopy was used to characterize 40 commercial tannins, including condensed and hydrolyzable chemical classes, provided as powder extracts from suppliers. Spectral data were processed to detect typical molecular vibrations of tannins bearing different chemical groups and of varying botanical origin (univariate qualitative analysis). The mid-infrared region between 4000 and 520 cm(-1) was analyzed, with a particular emphasis on the vibrational modes in the fingerprint region (1800-520 cm(-1)), which provide detailed information about skeletal structures and specific substituents. The region 1800-1500 cm(-1) contained signals due to hydrolyzable structures, while bands due to condensed tannins appeared at 1300-900 cm(-1) and exhibited specific hydroxylation patterns useful to elucidate the structure of the flavonoid monomeric units. The spectra were investigated further using principal component analysis for discriminative purposes, to enhance the ability of infrared spectroscopy in the classification and quality control of commercial dried extracts and to enhance their industrial exploitation.

Detecting infrared luminescence and non-chemical signaling of living cells: single cell mid-IR spectroscopy in cryogenic environments

NASA Astrophysics Data System (ADS)

Pereverzev, Sergey

2017-02-01

Many life-relevant interaction energies are in IR range, and it is reasonable to believe that some biochemical reactions inside cells can results in emission of IR photons. Cells can use this emission for non-chemical and non-electrical signaling. Detecting weak infrared radiation from live cells is complicated because of strong thermal radiation background and absorption of radiation by tissues. A microfluidic device with live cells inside a vacuum cryogenic environment should suppress this background, and thereby permit observation of live cell auto-luminescence or signaling in the IR regime. One can make IR-transparent windows not emitting in this range, so only the cell and a small amount of liquid around it will emit infrared radiation. Currently mid-IR spectroscopy of single cells requires the use of a synchrotron source to measure absorption or reflection spectra. Decreasing of thermal radiation background will allow absorption and reflection spectroscopy of cells without using synchrotron light. Moreover, cell auto-luminescence can be directly measured. The complete absence of thermal background radiation for cryogenically cooled samples allows the use IR photon-sensitive detectors and obtaining single molecule sensitivity in IR photo-luminescence measurements. Due to low photon energies, photo-luminescence measurements will be non-distractive for pressures samples. The technique described here is based upon US patent 9366574.

Attosecond XUV absorption spectroscopy of doubly excited states in helium atoms dressed by a time-delayed femtosecond infrared laser

NASA Astrophysics Data System (ADS)

Yang, Z. Q.; Ye, D. F.; Ding, Thomas; Pfeifer, Thomas; Fu, L. B.

2015-01-01

In the present paper, we investigate the time-resolved transient absorption spectroscopy of doubly excited states of helium atoms by solving the time-dependent two-electron Schrödinger equation numerically based on a one-dimensional model. The helium atoms are subjected to an extreme ultraviolet (XUV) attosecond pulse and a time-delayed infrared (IR) few-cycle laser pulse. A superposition of doubly excited states populated by the XUV pulse is identified, which interferes with the direct ionization pathway leading to Fano resonance profiles in the photoabsorption spectrum. In the presence of an IR laser, however, the Fano line profiles are strongly modified: A shifting, splitting, and broadening of the original absorption lines is observed when the XUV attosecond pulse and infrared few-cycle laser pulse overlap in time, which is in good agreement with recent experimental results. At certain time delays, we observe symmetric Lorentz, inverted Fano profiles, and even negative absorption cross sections indicating that the XUV light can be amplified during the interaction with atoms. We further prove that the above pictures are general for different doubly excited states by suitably varying the frequency of the IR field to coherently couple the corresponding states.

Middle infrared optoelectronic absorption systems for monitoring physiological glucose solutions

NASA Astrophysics Data System (ADS)

Martin, W. Blake

Tight monitoring of the glucose levels for diabetic individuals is essential to control long-term complications. A definitive diabetes management system has yet to be developed for the diabetic. This research investigates the application of middle infrared absorption frequencies for monitoring glucose levels in biological solutions. Three frequencies were identified using a Fourier transform infrared spectrometer and correlated to changes in glucose concentrations. The 1035 +/- 1 cm-1 frequency was determined to be the best representative frequency. Other biological molecules contributed no significant interference to monitoring glucose absorption. A second frequency at 1193 cm-1 was suggested as a representative background absorption frequency, which could be used for more accurate glucose absorption values. Next, a quantum cascade laser optoelectronic absorption system was designed and developed to monitor glucose. After careful alignment and design, the system was used to monitor physiological glucose concentrations. Correlation at 1036 cm-1 with glucose changes was comparable to the previous results. The use of the background absorption frequency was verified. This frequency essentially acts as a calibrating frequency to adjust in real-time to any changes in the background absorption that may alter the accuracy of the predicted glucose value. An evanescent wave cavity ring-down spectroscopy technique was explored to monitor molecules in a biological solution. Visible light at 425 nm was used to monitor hemoglobin in control urine samples. An adsorption isotherm for hemoglobin was detectable to limit of 5.8 nM. Evanescent wave cavity ring-down spectroscopy would be useful for a glucose solution. Given an equivalent system designed for the middle infrared, the molar extinction coefficient of glucose allows for a detectable limit of 45 mg/dl for a free-floating glucose solution, which is below normal physiological concentrations. The future use of a hydrophobic

CR-39 (PADC) Reflection and Transmission of Light in the Ultraviolet-Near-Infrared (UV-NIR) Range.

PubMed

Traynor, Nathan B J; McLauchlin, Christopher; Dodge, Kenneth; McGarrah, James E; Padalino, Stephen J; McCluskey, Michelle; Sangster, T C; McLean, James G

2018-04-01

The spectral reflection (specular and diffuse) and transmission of Columbia Resin 39 (CR-39) were measured for incoherent light with wavelengths in the range of 200-2500 nm. These results will be of use for the optical characterization of CR-39, as well as in investigations of the chemical modifications of the polymer caused by ultraviolet (UV) exposure. A Varian Cary 5000 was used to perform spectroscopy on several different thicknesses of CR-39. With proper analysis for the interdependence of reflectance and transmittance, results are consistent across all samples. The reflectivity from each CR-39-air boundary reveals an increase in the index of refraction in the near-UV. Absorption observations are consistent with the Beer-Lambert law. Strong absorption of UV light of wavelength shorter than 350 nm suggests an optical band gap of 3.5 eV, although the standard analysis is not conclusive. Absorption features observed in the near infrared are assigned to molecular vibrations, including some that are new to the literature.

Rapid profiling of Swiss cheese by attenuated total reflectance (ATR) infrared spectroscopy and descriptive sensory analysis.

PubMed

Kocaoglu-Vurma, N A; Eliardi, A; Drake, M A; Rodriguez-Saona, L E; Harper, W J

2009-08-01

The acceptability of cheese depends largely on the flavor formed during ripening. The flavor profiles of cheeses are complex and region- or manufacturer-specific which have made it challenging to understand the chemistry of flavor development and its correlation with sensory properties. Infrared spectroscopy is an attractive technology for the rapid, sensitive, and high-throughput analysis of foods, providing information related to its composition and conformation of food components from the spectra. Our objectives were to establish infrared spectral profiles to discriminate Swiss cheeses produced by different manufacturers in the United States and to develop predictive models for determination of sensory attributes based on infrared spectra. Fifteen samples from 3 Swiss cheese manufacturers were received and analyzed using attenuated total reflectance infrared spectroscopy (ATR-IR). The spectra were analyzed using soft independent modeling of class analogy (SIMCA) to build a classification model. The cheeses were profiled by a trained sensory panel using descriptive sensory analysis. The relationship between the descriptive sensory scores and ATR-IR spectra was assessed using partial least square regression (PLSR) analysis. SIMCA discriminated the Swiss cheeses based on manufacturer and production region. PLSR analysis generated prediction models with correlation coefficients of validation (rVal) between 0.69 and 0.96 with standard error of cross-validation (SECV) ranging from 0.04 to 0.29. Implementation of rapid infrared analysis by the Swiss cheese industry would help to streamline quality assurance.

[Near infrared reflectance spectroscopy (NIRS): a novel approach to reconstructing historical changes of primary productivity in Antarctic lake].

PubMed

Chen, Qian-Qian; Liu, Xiao-Dong; Liu, Wen-Qi; Jiang, Shan

2011-10-01

Compared with traditional chemical analysis methods, reflectance spectroscopy has the advantages of speed, minimal or no sample preparation, non-destruction, and low cost. In order to explore the potential application of spectroscopy technology in the paleolimnological study on Antarctic lakes, we took a lake sediment core in Mochou Lake at Zhongshan Station of Antarctic, and analyzed the near infrared reflectance spectroscopy (NIRS) data in the sedimentary samples. The results showed that the factor loadings of principal component analysis (PCA) displayed very similar depth-profile change pattern with the S2 index, a reliable proxy for the change in historical lake primary productivity. The correlation analysis showed that the values of PCA factor loading and S2 were correlated significantly, suggesting that it is feasible to infer paleoproductivity changes recorded in Antarctic lakes using NIRS technology. Compared to the traditional method of the trough area between 650 and 700 nm, the authors found that the PCA statistical approach was more accurate for reconstructing the change in historical lake primary productivity. The results reported here demonstrate that reflectance spectroscopy can provide a rapid method for the reconstruction of lake palaeoenviro nmental change in the remote Antarctic regions.

The structure of oleamide films at the aluminum/oil interface and aluminum/air interface studied by Sum Frequency Generation (SFG) vibrational spectroscopy and Reflection Absorption Infrared Spectroscopy (RAIRS).

PubMed

Casford, Michael T L; Davies, Paul B

2009-08-01

The structure of oleamide (cis-9-octadecenamide) films on aluminum has been investigated by sum frequency generation vibrational spectroscopy (SFG) and reflection absorption infrared spectroscopy (RAIRS). Three different film deposition strategies were investigated: (i) films formed by equilibrium adsorption from oleamide solutions in oil, (ii) Langmuir-Blodgett films cast at 1 and 25 mN m(-1), (iii) thick spin-cast films. Both L-B and spin-cast films were examined in air and under oil. The adsorbate formed in the 1 mN m(-1) film in air showed little orientational order. For this film, the spectroscopic results and the ellipsometric thickness point to a relatively conformationally disordered monolayer that is oriented principally in the plane of the interface. Direct adsorption to the metal interface from oil results in SFG spectra of oleamide that are comparable to those observed for the 1 mN m(-1) L-B film in air. In contrast, SFG and RAIRS results for the 25 mN m(-1) film in air and SFG spectra of the spin-cast film in air both show strong conformational ordering and orientational alignment normal to the interface. The 25 mN m(-1) film has an ellipsometric thickness almost twice that of the 1 mN m(-1) L-B film. Taken in combination with the spectroscopic results, this is indicative of a well packed monolayer in air in which the hydrocarbon chain is in an essentially defect-free extended conformation with the methyl terminus oriented away from the surface. A similar structure is also deduced for the surface of the spin-cast film in air. Upon immersion of the 25 mN m(-1) L-B film in oil the SFG spectra show that this film rapidly adopts a relatively disordered structure similar to that seen for the 1 mN m(-1) L-B film in air. Immersion of the spin-cast film in oil results in the gradual disordering of the amide film over a period of several days until the observed spectra become essentially identical to those observed for direct adsorption of oleamide from oil.

Infrared spectroscopy of wafer-scale graphene.

PubMed

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

2011-12-27

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

Elucidating ultrafast electron dynamics at surfaces using extreme ultraviolet (XUV) reflection-absorption spectroscopy.

PubMed

Biswas, Somnath; Husek, Jakub; Baker, L Robert

2018-04-24

Here we review the recent development of extreme ultraviolet reflection-absorption (XUV-RA) spectroscopy. This method combines the benefits of X-ray absorption spectroscopy, such as element, oxidation, and spin state specificity, with surface sensitivity and ultrafast time resolution, having a probe depth of only a few nm and an instrument response less than 100 fs. Using this technique we investigated the ultrafast electron dynamics at a hematite (α-Fe2O3) surface. Surface electron trapping and small polaron formation both occur in 660 fs following photoexcitation. These kinetics are independent of surface morphology indicating that electron trapping is not mediated by defects. Instead, small polaron formation is proposed as the likely driving force for surface electron trapping. We also show that in Fe2O3, Co3O4, and NiO, band gap excitation promotes electron transfer from O 2p valence band states to metal 3d conduction band states. In addition to detecting the photoexcited electron at the metal M2,3-edge, the valence band hole is directly observed as transient signal at the O L1-edge. The size of the resulting charge transfer exciton is on the order of a single metal-oxygen bond length. Spectral shifts at the O L1-edge correlate with metal-oxygen bond covalency, confirming the relationship between valence band hybridization and the overpotential for water oxidation. These examples demonstrate the unique ability to measure ultrafast electron dynamics with element and chemical state resolution using XUV-RA spectroscopy. Accordingly, this method is poised to play an important role to reveal chemical details of previously unseen surface electron dynamics.

Potential and limitation of mid-infrared attenuated total reflectance spectroscopy for real time analysis of raw milk in milking lines.

PubMed

Linker, Raphael; Etzion, Yael

2009-02-01

Real-time information about milk composition would be very useful for managing the milking process. Mid-infrared spectroscopy, which relies on fundamental modes of molecular vibrations, is routinely used for off-line analysis of milk and the purpose of the present study was to investigate the potential of attenuated total reflectance mid-infrared spectroscopy for real-time analysis of milk in milking lines. The study was conducted with 189 samples from over 70 cows that were collected during an 18 months period. Principal component analysis, wavelets and neural networks were used to develop various models for predicting protein and fat concentration. Although reasonable protein models were obtained for some seasonal sub-datasets (determination errors infrared radiation that causes the spectra to be very sensitive to the presence of fat globules or fat biofilms in the boundary layer that forms at the interface between the milk and the crystal that serves both as radiation waveguide and sensing element. Since manipulations such as homogenisation are not permissible for in-line analysis, these results show that the potential of mid-infrared attenuated total reflectance spectroscopy for in-line milk analysis is indeed quite limited.

Application of Near Infrared Reflectance Spectroscopy for Rapid and Non-Destructive Discrimination of Hulled Barley, Naked Barley, and Wheat Contaminated with Fusarium

PubMed Central

Lim, Jongguk; Kim, Giyoung; Mo, Changyeun; Oh, Kyoungmin; Kim, Geonseob; Ham, Hyeonheui; Kim, Seongmin; Kim, Moon S.

2018-01-01

Fusarium is a common fungal disease in grains that reduces the yield of barley and wheat. In this study, a near infrared reflectance spectroscopic technique was used with a statistical prediction model to rapidly and non-destructively discriminate grain samples contaminated with Fusarium. Reflectance spectra were acquired from hulled barley, naked barley, and wheat samples contaminated with Fusarium using near infrared reflectance (NIR) spectroscopy with a wavelength range of 1175–2170 nm. After measurement, the samples were cultured in a medium to discriminate contaminated samples. A partial least square discrimination analysis (PLS-DA) prediction model was developed using the acquired reflectance spectra and the culture results. The correct classification rate (CCR) of Fusarium for the hulled barley, naked barley, and wheat samples developed using raw spectra was 98% or higher. The accuracy of discrimination prediction improved when second and third-order derivative pretreatments were applied. The grains contaminated with Fusarium could be rapidly discriminated using spectroscopy technology and a PLS-DA discrimination model, and the potential of the non-destructive discrimination method could be verified. PMID:29301319

Trace gas absorption spectroscopy using laser difference-frequency spectrometer for environmental application

NASA Technical Reports Server (NTRS)

Chen, W.; Cazier, F.; Boucher, D.; Tittel, F. K.; Davies, P. B.

2001-01-01

A widely tunable infrared spectrometer based on difference frequency generation (DFG) has been developed for organic trace gas detection by laser absorption spectroscopy. On-line measurements of concentration of various hydrocarbons, such as acetylene, benzene, and ethylene, were investigated using high-resolution DFG trace gas spectroscopy for highly sensitive detection.

Rapid intra-operative diagnosis of kidney cancer by attenuated total reflection infrared spectroscopy of tissue smears.

PubMed

Pucetaite, Milda; Velicka, Martynas; Urboniene, Vidita; Ceponkus, Justinas; Bandzeviciute, Rimante; Jankevicius, Feliksas; Zelvys, Arunas; Sablinskas, Valdas; Steiner, Gerald

2018-05-01

Herein, a technique to analyze air-dried kidney tissue impression smears by means of attenuated total reflection infrared (ATR-IR) spectroscopy is presented. Spectral tumor markers-absorption bands of glycogen-are identified in the ATR-IR spectra of the kidney tissue smear samples. Thin kidney tissue cryo-sections currently used for IR spectroscopic analysis lack such spectral markers as the sample preparation causes irreversible molecular changes in the tissue. In particular, freeze-thaw cycle results in degradation of the glycogen and reduction or complete dissolution of its content. Supervised spectral classification was applied to the recorded spectra of the smears and the test spectra were classified with a high accuracy of 92% for normal tissue and 94% for tumor tissue, respectively. For further development, we propose that combination of the method with optical fiber ATR probes could potentially be used for rapid real-time intra-operative tissue analysis without interfering with either the established protocols of pathological examination or the ordinary workflow of operating surgeon. Such approach could ensure easier transition of the method to clinical applications where it may complement the results of gold standard histopathology examination and aid in more precise resection of kidney tumors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diffuse Reflectance Infrared Fourier Transform Spectroscopy for the Determination of Asbestos Species in Bulk Building Materials

PubMed Central

Accardo, Grazia; Cioffi, Raffaeke; Colangelo, Francesco; d’Angelo, Raffaele; De Stefano, Luca; Paglietti, Fderica

2014-01-01

Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy is a well-known technique for thin film characterization. Since all asbestos species exhibit intense adsorptions peaks in the 4000–400 cm−1 region of the infrared spectrum, a quantitative analysis of asbestos in bulk samples by DRIFT is possible. In this work, different quantitative analytical procedures have been used to quantify chrysotile content in bulk materials produced by building requalification: partial least squares (PLS) chemometrics, the Linear Calibration Curve Method (LCM) and the Method of Additions (MoA). Each method has its own pros and cons, but all give affordable results for material characterization: the amount of asbestos (around 10%, weight by weight) can be determined with precision and accuracy (errors less than 0.1). PMID:28788467

Reflectance spectroscopy (0.35-8 μm) of ammonium-bearing minerals and qualitative comparison to Ceres-like asteroids

NASA Astrophysics Data System (ADS)

Berg, Breanne L.; Cloutis, Edward A.; Beck, Pierre; Vernazza, Pierre; Bishop, Janice L.; Takir, Driss; Reddy, Vishnu; Applin, Daniel; Mann, Paul

2016-02-01

Ammonium-bearing minerals have been suggested to be present on Mars, Ceres, and various asteroids and comets. We undertook a systematic study of the spectral reflectance properties of ammonium-bearing minerals and compounds that have possible planetary relevance (i.e., ammonium carbonates, chlorides, nitrates, oxalates, phosphates, silicates, and sulfates). Various synthetic and natural NH4+-bearing minerals were analyzed using reflectance spectroscopy in the long-wave ultraviolet, visible, near-infrared, and mid-infrared regions (0.35-8 μm) in order to identify spectral features characteristic of the NH4+ molecule, and to evaluate if and how these features vary among different species. Mineral phases were confirmed through structural and compositional analyses using X-ray diffraction, X-ray fluorescence, and elemental combustion analysis. Characteristic absorption features associated with NH4 can be seen in the reflectance spectra at wavelengths as short as ∼1 μm. In the near-infrared region, the most prominent absorption bands are located near 1.6, 2.0, and 2.2 μm. Absorption features characteristic of NH4+ occurred at slightly longer wavelengths in the mineral-bound NH4+ spectra than for free NH4+ for most of the samples. Differences in wavelength position are attributable to various factors, including differences in the type and polarizability of the anion(s) attached to the NH4+, degree and type of hydrogen bonding, molecule symmetry, and cation substitutions. Multiple absorption features, usually three absorption bands, in the mid-infrared region between ∼2.8 and 3.8 μm were seen in all but the most NH4-poor sample spectra, and are attributed to fundamentals, combinations, and overtones of stretching and bending vibrations of the NH4+ molecule. These features appear even in reflectance spectra of water-rich samples which exhibit a strong 3 μm region water absorption feature. While many of the samples examined in this study have NH4 absorption bands

Proposal of ultrasonic-assisted mid-infrared spectroscopy for incorporating into daily life like smart-toilet and non-invasive blood glucose sensor

NASA Astrophysics Data System (ADS)

Kitazaki, Tomoya; Mori, Keita; Yamamoto, Naoyuki; Wang, Congtao; Kawashima, Natsumi; Ishimaru, Ichiro

2017-07-01

We proposed the extremely compact beans-size snap-shot mid-infrared spectroscopy that will be able to be built in smartphones. And also the easy preparation method of thin-film samples generated by ultrasonic standing wave is proposed. Mid-infrared spectroscopy is able to identify material components and estimate component concentrations quantitatively from absorption spectra. But conventional spectral instruments were very large-size and too expensive to incorporate into daily life. And preparations of thin-film sample were very troublesome task. Because water absorption in mid-infrared lights is very strong, moisture-containing-sample thickness should be less than 100[μm]. Thus, midinfrared spectroscopy has been utilized only by analytical experts in their laboratories. Because ultrasonic standing wave is compressional wave, we can generate periodical refractive-index distributions inside of samples. A high refractiveindex plane is correspond to a reflection boundary. When we use a several MHz ultrasonic transducer, the distance between sample surface and generated first node become to be several ten μm. Thus, the double path of this distance is correspond to sample thickness. By combining these two proposed methods, as for liquid samples, urinary albumin and glucose concentrations will be able to be measured inside of toilet. And as for solid samples, by attaching these apparatus to earlobes, the enhancement of reflection lights from near skin surface will create a new path to realize the non-invasive blood glucose sensor. Using the small ultrasonic-transducer whose diameter was 10[mm] and applied voltage 8[V], we detected the internal reflection lights from colored water as liquid sample and acrylic board as solid sample.

Ultra-broadband infrared pump-probe spectroscopy using synchrotron radiation and a tuneable pump.

PubMed

Carroll, Lee; Friedli, Peter; Lerch, Philippe; Schneider, Jörg; Treyer, Daniel; Hunziker, Stephan; Stutz, Stefan; Sigg, Hans

2011-06-01

Synchrotron infrared sources have become popular mainly because of their excellent broadband brilliance, which enables spectroscopically resolved spatial-mapping of stationary objects at the diffraction limit. In this article we focus on an often-neglected further advantage of such sources - their unique time-structure - to bring such broadband spectroscopy to the time domain, for studying dynamic phenomenon down to the 100 ps limit. We describe the ultra-broadband (12.5 to 1.1 μm) Fourier transform pump-probe setup, for condensed matter transmission- and reflection-spectroscopy, installed at the X01DC infrared beam-line of the Swiss Light Source (SLS). The optical pump consists of a widely tuneable 100 ps 1 kHz laser system, covering 94% of the 16 to 1.1 μm range. A thorough description of the system is given, including (i) the vector-modulator providing purely electronic tuning of the pump-probe overlap up to 1 ms with sub-ps time resolution, (ii) the 500 MHz data acquisition system interfaced with the experimental physics and industrial control system (EPICS) based SLS control system for consecutive pulse sampling, and (iii) the step-scan time-slice Fourier transform scheme for simultaneous recording of the dual-channel pumped, un-pumped, and difference spectra. The typical signal/noise ratio of a single interferogram in a 100 ps time slice is 300 (measured during one single 140 s TopUp period). This signal/noise ratio is comparable to that of existing gated Globar pump-probe Fourier transform spectroscopy, but brings up to four orders of magnitude better time resolution. To showcase the utility of broadband pump-probe spectroscopy, we investigate a Ge-on-Si material system similar to that in which optically pumped direct-gap lasing was recently reported. We show that the mid-infrared reflection-spectra can be used to determine the optically injected carrier density, while the mid- and near-infrared transmission-spectra can be used to separate the strong pump

Mid-Infrared Spectroscopy Platform Based on GaAs/AlGaAs Thin-Film Waveguides and Quantum Cascade Lasers.

PubMed

Sieger, Markus; Haas, Julian; Jetter, Michael; Michler, Peter; Godejohann, Matthias; Mizaikoff, Boris

2016-03-01

The performance and versatility of GaAs/AlGaAs thin-film waveguide technology in combination with quantum cascade lasers for mid-infrared spectroscopy in comparison to conventional FTIR spectroscopy is presented. Infrared radiation is provided by a quantum cascade laser (QCL) spectrometer comprising four tunable QCLs providing a wavelength range of 5-11 μm (1925-885 cm(-1)) within a single collimated beam. Epitaxially grown GaAs slab waveguides serve as optical transducer for tailored evanescent field absorption analysis. A modular waveguide mounting accessory specifically designed for on-chip thin-film GaAs waveguides is presented serving as a flexible analytical platform in lieu of conventional attenuated total reflection (ATR) crystals uniquely facilitating macroscopic handling and alignment of such microscopic waveguide structures in real-world application scenarios.

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

PubMed

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

2015-06-21

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

[Applications of near infrared reflectance spectroscopy technique to determination of forage mycotoxins].

PubMed

Xu, Qing-Fang; Han, Jian-Guo; Yu, Zhu; Yue, Wen-Bin

2010-05-01

The near infrared reflectance spectroscopy technique (NIRS) has been explored at many fields such as agriculture, food, chemical, medicine, and so on, due to its rapid, effective, non-destructive, and on-line characteristics. Fungi invasion in forage materials during processing and storage would generate mycotoxins, which were harmful for people and animal through food chains. The determination of mycotoxins included the overelaborated pretreatments such as milling, extracting, chromatography and subsequent process such as enzyme linked immunosorbent assay, high performance liquid chromatography, and thin layer chromatography. The authors hope that high precision and low detection limit spectrum instrument, and software technology and calibration model of mycotoxins determination, will fast measure accurately the quality and quantity of mycotoxins, which will provide basis for reasonable process and utilization of forage and promote the application of NIRS in the safety livestock product.

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.

Plasmonic nanopatch array with integrated metal–organic framework for enhanced infrared absorption gas sensing

DOE PAGES

Chong, Xinyuan; Kim, Ki-joong; Zhang, Yujing; ...

2017-06-06

In this letter, we present a nanophotonic device consisting of plasmonic nanopatch array (NPA) with integrated metal–organic framework (MOF) for enhanced infrared absorption gas sensing. By designing a gold NPA on a sapphire substrate, we are able to achieve enhanced optical field that spatially overlaps with the MOF layer, which can adsorb carbon dioxide (CO 2) with high capacity. Additionally, experimental results show that this hybrid plasmonic–MOF device can effectively increase the infrared absorption path of on-chip gas sensors by more than 1100-fold. Lastly, the demonstration of infrared absorption spectroscopy of CO 2 using the hybrid plasmonic–MOF device proves amore » promising strategy for future on-chip gas sensing with ultra-compact size.« less

Plasmonic nanopatch array with integrated metal–organic framework for enhanced infrared absorption gas sensing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chong, Xinyuan; Kim, Ki-joong; Zhang, Yujing

In this letter, we present a nanophotonic device consisting of plasmonic nanopatch array (NPA) with integrated metal–organic framework (MOF) for enhanced infrared absorption gas sensing. By designing a gold NPA on a sapphire substrate, we are able to achieve enhanced optical field that spatially overlaps with the MOF layer, which can adsorb carbon dioxide (CO 2) with high capacity. Additionally, experimental results show that this hybrid plasmonic–MOF device can effectively increase the infrared absorption path of on-chip gas sensors by more than 1100-fold. Lastly, the demonstration of infrared absorption spectroscopy of CO 2 using the hybrid plasmonic–MOF device proves amore » promising strategy for future on-chip gas sensing with ultra-compact size.« less

Ru sub 3 (CO) sub 12 and Mo(CO) sub 6 adsorbed on Ru(001) and Au/Ru: An infrared reflection-absorption study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malik, I.J.; Hrbek, J.

1990-01-01

The authors obtained infrared reflection absorption (IRAS) and thermal desorption spectroscopy (TDS) data for Ru{sub 3}(CO){sub 12}/Ru(001) and Mo(CO){sub 6}/Au/Ru systems for metal carbonyl coverages between submonolayer and approximately 20 monolayers. They characterized the C-O stretching mode of both systems (4cm{sup {minus}1}FWHM) and a deformation mode of Mo(CO){sub 6} at 608cm{sup {minus}1} (1 cm{sup {minus}1}FWHM). Both IRAS and TDS data suggest adsorption and desorption of metal carbonyls as molecular species with a preferential orientation in the overlayers. The IR intensity of the C-O stretch per a C-O bond projected onto the surface normal is approximately twice (five times) larger formore » Ru{sub 3}(CO){sub 12} (Mo(CO){sub 6}) at submonolayer coverages than for CO/Ru(001) at {theta}{sub CO}=0.68.« less

Transmission versus reflectance spectroscopy for quantitation

NASA Astrophysics Data System (ADS)

Gardner, Craig M.

2018-01-01

The objective of this work was to compare the accuracy of analyte concentration estimation when using transmission versus diffuse reflectance spectroscopy of a scattering medium. Monte Carlo ray tracing of light through the medium was used in conjunction with pure component absorption spectra and Beer-Lambert absorption along each ray's pathlength to generate matched sets of pseudoabsorbance spectra, containing water and six analytes present in skin. PLS regression models revealed an improvement in accuracy when using transmission compared to reflectance for a range of medium thicknesses and instrument noise levels. An analytical expression revealed the source of the accuracy degradation with reflectance was due both to the reduced collection efficiency for a fixed instrument etendue and to the broad pathlength distribution that detected light travels in the medium before exiting from the incident side.

Sensing cocaine in saliva with attenuated total reflection infrared (ATR-IR) spectroscopy combined with a one-step extraction method

NASA Astrophysics Data System (ADS)

Hans, Kerstin M.-C.; Gianella, Michele; Sigrist, Markus W.

2012-03-01

On-site drug tests have gained importance, e.g., for protecting the society from impaired drivers. Since today's drug tests are majorly only positive/negative, there is a great need for a reliable, portable and preferentially quantitative drug test. In the project IrSens we aim to bridge this gap with the development of an optical sensor platform based on infrared spectroscopy and focus on cocaine detection in saliva. We combine a one-step extraction method, a sample drying technique and infrared attenuated total reflection (ATR) spectroscopy. As a first step we have developed an extraction technique that allows us to extract cocaine from saliva to an almost infrared-transparent solvent and to record ATR spectra with a commercially available Fourier Transform-infrared spectrometer. To the best of our knowledge this is the first time that such a simple and easy-to-use one-step extraction method is used to transfer cocaine from saliva into an organic solvent and detect it quantitatively. With this new method we are able to reach a current limit of detection around 10 μg/ml. This new extraction method could also be applied to waste water monitoring and controlling caffeine content in beverages.

Identification of cattle, llama and horse meat by near infrared reflectance or transflectance spectroscopy.

PubMed

Mamani-Linares, L W; Gallo, C; Alomar, D

2012-02-01

Visible and near infrared reflectance spectroscopy (VIS-NIRS) was used to discriminate meat and meat juices from three livestock species. In a first trial, samples of Longissimus lumborum muscle, corresponding to beef (31) llamas (21) and horses (27), were homogenised and their spectra collected in reflectance (NIRSystems 6500 scanning monochromator, in the range of 400-2500 nm). In the second trial, samples of meat juice (same muscle) from the same species (20 beef, 19 llama and 19 horse) were scanned in folded transmission (transflectance). Discriminating models (PLS regression) were developed against "dummy" variables, testing different mathematical treatments of the spectra. Best models indentified the species of almost all samples by their meat (reflectance) or meat juice (transflectance) spectra. A few (three of beef and one of llama, for meat samples; one of beef and one of horse, for juice samples) were classified as uncertain. It is concluded that NIRS is an effective tool to recognise meat and meat juice from beef, llama and horses. Copyright © 2011 Elsevier Ltd. All rights reserved.

Exploration of organic-inorganic hybrid perovskites for surface-enhanced infrared spectroscopy of small molecules.

PubMed

Chen, Jia; Mo, Zhi-Hong; Yang, Xiao; Zhou, Hai-Ling; Gao, Qin

2017-06-22

The organic-inorganic hybrid perovskites efficiently enhance the infrared absorption of small molecules. It is suggested that the quantum wells of perovskites enable the electrons of the perovskites to be excited by light in the infrared region. The exploration has opened a new path for chemical sensing through infrared spectroscopy.

Reflectance spectroscopy (0.35–8 μm) of ammonium-bearing minerals and qualitative comparison to Ceres-like asteroids

USGS Publications Warehouse

Berg, Breanne L.; Cloutis, Edward A.; Beck, P.; Vernazza, P.; Bishop, Janice L; Takir, Driss; Reddy, V.; Applin, D.; Mann, Paul

2016-01-01

Ammonium-bearing minerals have been suggested to be present on Mars, Ceres, and various asteroids and comets. We undertook a systematic study of the spectral reflectance properties of ammonium-bearing minerals and compounds that have possible planetary relevance (i.e., ammonium carbonates, chlorides, nitrates, oxalates, phosphates, silicates, and sulfates). Various synthetic and natural NH4+-bearing minerals were analyzed using reflectance spectroscopy in the long-wave ultraviolet, visible, near-infrared, and mid-infrared regions (0.35–8 μm) in order to identify spectral features characteristic of the NH4+ molecule, and to evaluate if and how these features vary among different species. Mineral phases were confirmed through structural and compositional analyses using X-ray diffraction, X-ray fluorescence, and elemental combustion analysis. Characteristic absorption features associated with NH4 can be seen in the reflectance spectra at wavelengths as short as ∼1 μm. In the near-infrared region, the most prominent absorption bands are located near 1.6, 2.0, and 2.2 μm. Absorption features characteristic of NH4+ occurred at slightly longer wavelengths in the mineral-bound NH4+ spectra than for free NH4+ for most of the samples. Differences in wavelength position are attributable to various factors, including differences in the type and polarizability of the anion(s) attached to the NH4+, degree and type of hydrogen bonding, molecule symmetry, and cation substitutions. Multiple absorption features, usually three absorption bands, in the mid-infrared region between ∼2.8 and 3.8 μm were seen in all but the most NH4-poor sample spectra, and are attributed to fundamentals, combinations, and overtones of stretching and bending vibrations of the NH4+ molecule. These features appear even in reflectance spectra of water-rich samples which exhibit a strong 3 μm region water absorption feature. While many of the samples examined in this study have NH4 absorption

Laser Infrared Desorption Spectroscopy to Detect Complex Organic Molecules on Icy Planetary Surfaces

NASA Technical Reports Server (NTRS)

Sollit, Luke S.; Beegle, Luther W.

2008-01-01

Laser Desorption-Infrared Spectroscopy (LD-IR) uses an IR laser pulse to desorb surface materials while a spectrometer measures the emission spectrum of the desorbed materials (Figure 1). In this example, laser desorption operates by having the incident laser energy absorbed by near surface material (10 microns in depth). This desorption produces a plume that exists in an excited state at elevated temperatures. A natural analog for this phenomenon can be observed when comets approach the sun and become active and individual molecular emission spectra can be observed in the IR [1,2,3,4,5]. When this occurs in comets, the same species that initially emit radiation down to the ground state are free to absorb it, reducing the amount of detectable emission features. The nature of our technique results in absorption not occurring, because the laser pulse could easily be moved away form the initial desorption plume, and still have better spatial resolution then reflectance spectroscopy. In reflectance spectroscopy, trace components have a relatively weak signal when compared to the entire active nature of the surface. With LDIR, the emission spectrum is used to identify and analyze surface materials.

Intracavity Laser Absorption Spectroscopy of Platinum Nitride in the Near Infrared

NASA Astrophysics Data System (ADS)

O'Brien, Leah C.; Harris, Rachel A.; Whittemore, Sean; O'Brien, James J.

2009-06-01

A new electronic transition of PtN has been recorded using intracavity laser absorption spectroscopy. Four red-degraded branches are observed, with a bandheads located at 11733 and 11725 wn. The results of the analysis will be presented and compared with ab initio calculations.

Preliminary evaluation of optical glucose sensing in red cell concentrations using near-infrared diffuse-reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Suzuki, Yusuke; Maruo, Katsuhiko; Zhang, Alice W.; Shimogaki, Kazushige; Ogawa, Hideto; Hirayama, Fumiya

2012-01-01

Bacterial contamination of blood products is one of the most frequent infectious complications of transfusion. Since glucose levels in blood supplies decrease as bacteria proliferate, it should be possible to detect the presence of bacterial contamination by measuring the glucose concentrations in the blood components. Hence this study is aimed to serve as a preliminary study for the nondestructive measurement of glucose level in transfusion blood. The glucose concentrations in red blood cell (RBC) samples were predicted using near-infrared diffuse-reflectance spectroscopy in the 1350 to 1850 nm wavelength region. Furthermore, the effects of donor, hematocrit level, and temperature variations among the RBC samples were observed. Results showed that the prediction performance of a dataset which contained samples that differed in all three parameters had a standard error of 29.3 mg/dL. Multiplicative scatter correction (MSC) preprocessing method was also found to be effective in minimizing the variations in scattering patterns created by various sample properties. The results suggest that the diffuse-reflectance spectroscopy may provide another avenue for the detection of bacterial contamination in red cell concentrations (RCC) products.

Infrared Spectroscopy of Hydrogen in Fullerite and MOF-5 Hosts

NASA Astrophysics Data System (ADS)

Fitzgerald, Stephen; Churchill, Hugh; Korngut, Phil; Simmons, Christie; Strangas, Yorgos

2006-03-01

We present a novel use of diffuse reflectance infrared spectroscopy to study the quantum dynamics of hydrogen molecules trapped within a host material. This technique is particularly useful for the study of hydrogen storage materials since it provides detailed information about the intermolecular potential at the binding site. Because H2 has no intrinsic infrared activity any observed features arise solely through interaction with the host material and as such are very sensitive to the symmetry of the binding site. The drawback is that the induced spectra are quite weak. However, a technique based on diffuse reflectance has been shown to produce a sufficiently large signal [1]. We have now constructed a cryogenic system that allows spectra to be obtained in this manner at pressures as high as 100 atm. and at temperatures as low as 10 K. Data will be presented for H2 in both C60 and MOF-5 showing a series of absorption features arising from the quantized vibrational, rotational, and translational motion of the trapped H2. At the lowest temperature these peaks become quite sharp, FWHM less than 1 cm-1, with a detailed fine structure arising from the H2 host interactions. 1. S. A. FitzGerald et al., Phys. Rev. B 65, 140302. (2002)

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

USDA-ARS?s Scientific Manuscript database

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...

Analysis of multiple soybean phytonutrients by near-infrared reflectance spectroscopy.

PubMed

Zhang, Gaoyang; Li, Penghui; Zhang, Wenfei; Zhao, Jian

2017-05-01

Improvement of the nutritional quality of soybean is usually facilitated by a vast range of soybean germplasm with enough information about their multiple phytonutrients. In order to acquire this essential information from a huge number of soybean samples, a rapid analytic method is urgently required. Here, a nondestructive near-infrared reflectance spectroscopy (NIRS) method was developed for rapid and accurate measurement of 25 nutritional components in soybean simultaneously, including fatty acids palmitic acid, stearic acid, oleic acid, linoleic acid, and linolenic acid, vitamin E (VE), α-VE, γ-VE, δ-VE, saponins, isoflavonoids, and flavonoids. Modified partial least squares regression and first, second, third, and fourth derivative transformation was applied for the model development. The 1 minus variance ratio (1-VR) value of the optimal model can reach between the highest 0.95 and lowest 0.64. The predicted values of phytonutrients in soybean using NIRS technology are comparable to those obtained from using the traditional spectrum or chemical methods. A robust NIRS can be adopted as a reliable method to evaluate complex plant constituents for screening large-scale samples of soybean germplasm resources or genetic populations for improvement of nutritional qualities. Graphical Abstract ᅟ.

Red and near-infrared spectral reflectance of snow

NASA Technical Reports Server (NTRS)

Obrien, H. W.; Munis, R. H.

1975-01-01

The spectral reflectance of snow in the range of 0.60 to 2.50 microns wavelengths was studied in a cold laboratory using natural snow and simulated preparations of snow. A white barium sulfate powder was used as the standard for comparison. The high reflectance (usually nearly 100%) of fresh natural snow in visible wavelengths declines rapidly at wavelengths longer than the visible, as the spectral absorption coefficients of ice increase. Aging snow becomes only somewhat less reflective than fresh snow in the visible region and usually retains a reflectance greater than 80%. In the near infrared, aging snow tends to become considerably less reflective than fresh snow.

Transmission versus reflectance spectroscopy for quantitation.

PubMed

Gardner, Craig M

2018-01-01

The objective of this work was to compare the accuracy of analyte concentration estimation when using transmission versus diffuse reflectance spectroscopy of a scattering medium. Monte Carlo ray tracing of light through the medium was used in conjunction with pure component absorption spectra and Beer-Lambert absorption along each ray's pathlength to generate matched sets of pseudoabsorbance spectra, containing water and six analytes present in skin. PLS regression models revealed an improvement in accuracy when using transmission compared to reflectance for a range of medium thicknesses and instrument noise levels. An analytical expression revealed the source of the accuracy degradation with reflectance was due both to the reduced collection efficiency for a fixed instrument etendue and to the broad pathlength distribution that detected light travels in the medium before exiting from the incident side. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Analysis of total oil and fatty acids composition by near infrared reflectance spectroscopy in edible nuts

NASA Astrophysics Data System (ADS)

Kandala, Chari V.; Sundaram, Jaya

2014-10-01

Near Infrared (NIR) Reflectance spectroscopy has established itself as an important tool in quantifying water and oil present in various food materials. It is rapid and nondestructive, easier to use, and does not require processing the samples with corrosive chemicals that would render them non-edible. Earlier, the samples had to be ground into powder form before making any measurements. With the development of new soft ware packages, NIR techniques could now be used in the analysis of intact grain and nuts. While most of the commercial instruments presently available work well with small grain size materials such as wheat and corn, the method present here is suitable for large kernel size products such as shelled or in-shell peanuts. Absorbance spectra were collected from 400 nm to 2500 nm using a NIR instrument. Average values of total oil contents (TOC) of peanut samples were determined by standard extraction methods, and fatty acids were determined using gas chromatography. Partial least square (PLS) analysis was performed on the calibration set of absorption spectra, and models were developed for prediction of total oil and fatty acids. The best model was selected based on the coefficient of determination (R2), Standard error of prediction (SEP) and residual percent deviation (RPD) values. Peanut samples analyzed showed RPD values greater than 5.0 for both absorbance and reflectance models and thus could be used for quality control and analysis. Ability to rapidly and nondestructively measure the TOC, and analyze the fatty acid composition, will be immensely useful in peanut varietal improvement as well as in the grading process of grain and nuts.

Infrared absorption nano-spectroscopy using sample photoexpansion induced by tunable quantum cascade lasers.

PubMed

Lu, Feng; Belkin, Mikhail A

2011-10-10

We report a simple technique that allows obtaining mid-infrared absorption spectra with nanoscale spatial resolution under low-power illumination from tunable quantum cascade lasers. Light absorption is detected by measuring associated sample thermal expansion with an atomic force microscope. To detect minute thermal expansion we tune the repetition frequency of laser pulses in resonance with the mechanical frequency of the atomic force microscope cantilever. Spatial resolution of better than 50 nm is experimentally demonstrated.

Reflectance and fluorescence spectroscopies in photodynamic therapy

NASA Astrophysics Data System (ADS)

Finlay, Jarod C.

In vivo fluorescence spectroscopy during photodynamic therapy (PDT) has the potential to provide information on the distribution and degradation of sensitizers, the formation of fluorescent photoproducts and changes in tissue autofluorescence induced by photodynamic treatment. Reflectance spectroscopy allows quantification of light absorption and scattering in tissue. We present the results of several related studies of fluorescence and reflectance spectroscopy and their applications to photodynamic dosimetry. First, we develop and test an empirical method for the correction of the distortions imposed on fluorescence spectra by absorption and scattering in turbid media. We characterize the irradiance dependence of the in vivo photobleaching of three sensitizers, protoporphyrin IX (PpIX), Photofrin and mTHPC, in a rat skin model. The photobleaching and photoproduct formation of PpIX exhibit irradiance dependence consistent with singlet oxygen (1O2)-mediated bleaching. The bleaching of mTHPC occurs in two phases, only one of which is consistent with a 1O 2-mediated mechanism. Photofrin's bleaching is independent of irradiance, although its photoproduct formation is not. This can be explained by a mixed-mechanism bleaching model. Second, we develop an algorithm for the determination of tissue optical properties using diffuse reflectance spectra measured at a single source-detector separation and demonstrate the recovery of the hemoglobin oxygen dissociation curve from tissue-simulating phantoms containing human erythrocytes. This method is then used to investigate the heterogeneity of oxygenation response in murine tumors induced by carbogen inhalation. We find that while the response varies among animals and within each tumor, the majority of tumors exhibit an increase in blood oxygenation during carbogen breathing. We present a forward-adjoint model of fluorescence propagation that uses the optical property information acquired from reflectance spectroscopy to

Ru sub 3 (CO) sub 12 and Mo (CO) sub 6 overlayers adsorbed on Ru(001) and Au/Ru and their interaction with electrons and photons: An infrared reflection--absorption study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malik, I.J.; Hrbek, J.

1991-05-01

We studied adsorbed Ru{sub 3}(CO){sub 12} and Mo (CO){sub 6} overlayers on Ru(001) and Au/Ru surfaces by infrared reflection--absorption spectroscopy (IRAS) and thermal desorption spectroscopy (TDS). We characterized the C--O stretching mode of both metal carbonyls (4 cm{sup {minus}1} FWHM) and a deformation mode of Mo (CO){sub 6} at 608 cm{sup {minus}1} with an unusually narrow FWHM of 1 cm{sup {minus}1}. Both IRAS and TDS data suggest adsorption and desorption of metal carbonyls as molecular species with a preferential orientation in the overlayers. We discuss annealing experiments of Ru{sub 3}(CO){sub 12}/Ru(001), the interaction of Ru{sub 3}(CO){sub 12} overlayers with electronsmore » of up to 100-eV energy, and the interaction of Mo (CO){sub 6} overlayers with 300-nm photons.« less

[Applications of near infrared reflectance spectroscopy in detecting chitin, ergosterol and mycotoxins].

PubMed

Yi, Yong-Yan; Li, De-Rong; Zhang, Yun-Wei; Yang, Fu-Yu

2009-07-01

The invasion extent and harmfulness of fungi can be determined by chitin, ergosterol and mycotoxins. It is important to monitor chitin, ergosterol and mycotoxins changes to prevent contamination of forage and feed products, and effectively control the sustainable development of the mildew. Predication of these chemical materials was often completed by laboratory analysis, which was time-consuming and cumbersome and could not reflect the results in time in the past. Near infrared reflectance spectroscopy (NIRS) is a rapid, convenient, highly efficient, nondestructive and low-cost analytical technique, which has been widely used in various fields such as food field and feed field for quantitative and qualitative analysis. It has a great potentiality of application in quality analysis. In this paper, the principle and the characteristic of NIRS and its applications in food, forage, feed and other agriculture products quality analysis were introduced. Its applications in fungal biomass (chitin, ergosterol) and mycotoxins were mainly reviewed. NIRS was used to quantify chitin, ergosterol and mycotoxins. Calibration equations and validation equations for these materials were developed. It is also expected that NIRS will play a more and more important role in the field of fungi with the establishment of calibration equation and improvement of model database.

Cartilage analysis by reflection spectroscopy

NASA Astrophysics Data System (ADS)

Laun, T.; Muenzer, M.; Wenzel, U.; Princz, S.; Hessling, M.

2015-07-01

A cartilage bioreactor with analytical functions for cartilage quality monitoring is being developed. For determining cartilage composition, reflection spectroscopy in the visible (VIS) and near infrared (NIR) spectral region is evaluated. Main goal is the determination of the most abundant cartilage compounds water, collagen I and collagen II. Therefore VIS and NIR reflection spectra of different cartilage samples of cow, pig and lamb are recorded. Due to missing analytical instrumentation for identifying the cartilage composition of these samples, typical literature concentration values are used for the development of chemometric models. In spite of these limitations the chemometric models provide good cross correlation results for the prediction of collagen I and II and water concentration based on the visible and the NIR reflection spectra.

Methanogenic activity tests by Infrared Tunable Diode Laser Absorption Spectroscopy.

PubMed

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

2012-10-01

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

Infrared Spectroscopy of Blood for Disease Identification

NASA Astrophysics Data System (ADS)

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

2003-09-01

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

Crop/weed discrimination using near-infrared reflectance spectroscopy (NIRS)

NASA Astrophysics Data System (ADS)

Zhang, Yun; He, Yong

2006-09-01

The traditional uniform herbicide application often results in an over chemical residues on soil, crop plants and agriculture produce, which have imperiled the environment and food security. Near-infrared reflectance spectroscopy (NIRS) offers a promising means for weed detection and site-specific herbicide application. In laboratory, a total of 90 samples (30 for each species) of the detached leaves of two weeds, i.e., threeseeded mercury (Acalypha australis L.) and fourleafed duckweed (Marsilea quadrfolia L.), and one crop soybean (Glycine max) was investigated for NIRS on 325- 1075 nm using a field spectroradiometer. 20 absorbance samples of each species after pretreatment were exported and the lacked Y variables were assigned independent values for partial least squares (PLS) analysis. During the combined principle component analysis (PCA) on 400-1000 nm, the PC1 and PC2 could together explain over 91% of the total variance and detect the three plant species with 98.3% accuracy. The full-cross validation results of PLS, i.e., standard error of prediction (SEP) 0.247, correlation coefficient (r) 0.954 and root mean square error of prediction (RMSEP) 0.245, indicated an optimum model for weed identification. By predicting the remaining 10 samples of each species in the PLS model, the results with deviation presented a 100% crop/weed detection rate. Thus, it could be concluded that PLS was an available alternative of for qualitative weed discrimination on NTRS.

Submolecular Structure and Orientation of Oligonucleotide Duplexes Tethered to Gold Electrodes Probed by Infrared Reflection Absorption Spectroscopy: Effect of the Electrode Potentials.

PubMed

Kékedy-Nagy, László; Ferapontova, Elena E; Brand, Izabella

2017-02-23

Unique electronic and ligand recognition properties of the DNA double helix provide basis for DNA applications in biomolecular electronic and biosensor devices. However, the relation between the structure of DNA at electrified interfaces and its electronic properties is still not well understood. Here, potential-driven changes in the submolecular structure of DNA double helices composed of either adenine-thymine (dAdT) 25 or cytosine-guanine (dGdC) 20 base pairs tethered to the gold electrodes are for the first time analyzed by in situ polarization modulation infrared reflection absorption spectroscopy (PM IRRAS) performed under the electrochemical control. It is shown that the conformation of the DNA duplexes tethered to gold electrodes via the C 6 alkanethiol linker strongly depends on the nucleic acid sequence composition. The tilt of purine and pyrimidine rings of the complementary base pairs (dAdT and dGdC) depends on the potential applied to the electrode. By contrast, neither the conformation nor orientation of the ionic in character phosphate-sugar backbone is affected by the electrode potentials. At potentials more positive than the potential of zero charge (pzc), a gradual tilting of the double helix is observed. In this tilted orientation, the planes of the complementary purine and pyrimidine rings lie ideally parallel to each other. These potentials do not affect the integral stability of the DNA double helix at the charged interface. At potentials more negative than the pzc, DNA helices adopt a vertical to the gold surface orientation. Tilt of the purine and pyrimidine rings depends on the composition of the double helix. In monolayers composed of (dAdT) 25 molecules the rings of the complementary base pairs lie parallel to each other. By contrast, the tilt of purine and pyrimidine rings in (dGdC) 20 helices depends on the potential applied to the electrode. Such potential-induced mobility of the complementary base pairs can destabilize the helix

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.

VNIR reflectance spectroscopy of glassy igneous material with variable oxidation states

NASA Astrophysics Data System (ADS)

Carli, Cristian; Di Genova, Danilo; Roush, Ted L.; Ertel-Ingrisch, Werner; Capaccioni, Fabrizio; Dingwell, Donald B.

2017-04-01

Silicate glasses with igneous compositions may represent an abundant component of planetary surface material via effusive volcanism or impact cratering processes. Several planetary surfaces are mapped with hyper-spectrometers in the visible and near-infrared (VNIR). In this spectral range, crystal field (C.F.) absorptions are useful to discriminate iron-bearing silicate components. At the same time, in the VNIR reflectance spectroscopy iron bearing glasses may exhibit a C.F. absorption at ˜1.1 μm. A weak C.F. absorption is also present at ˜1.9 μm. These absorptions can be therefore diagnostic for glassy component and can also affect the C.F. absorptions of mafic minerals when mixed in the regolith. So far, few studies investigated the spectral properties of systematic glasses compositions and at different oxygen fucacity. For these reasons studying glassy materials, and their optical constants, represents an important effort to document and to interpret, spectral features of Solar System silicate crusts where glasses are present, but may be difficult to map. In previous work Carli et al. (2016) considered the composition of glassy igneous materials produced in Earth-like atmospheric conditions (i.e. oxidized conditions). Here, we expand on that effort by including glasses formed under more reducing condition. In this study, glasses were produced at -9.3 log fO2 and 1400 ˚ C for a duration of 4 h at the Department of Earth and Environmental Sciences at the University of Munich using a gas-mixing furnace. The major element composition, sample homogeneity, and the Fe3+/Fetot. ratio of run products were analytically determined. Moreover, Raman spectra of the same samples were also acquired. Afterwards, powders were produced with nine-grain size from 250-224 μm to 50-20 μm and measured in bidirectional reflectance at Spectroscopy LABoratory (IAPS-INAF, Rome). Reflectance spectra were acquired from 0.35 to 2.5 μm with a Field-Pro Spectrometer mounted on a

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.

[Study on Identification of Three Medicinal Plant Leaves from Elaeagnus Genus by Infrared Spectroscopy].

PubMed

Zhang, Fei; Li, Lu-yang; Ding, Qi; Hu, Ji-qing; Long, Wei-fang; Wan, Ding-rong

2015-01-01

To study and identify the three species of dry medicinal plant leaves trom Elaeagnus genus (E. pungens, E. lanceolata and E. henryi) by Infrared Spectroscopy(IR). Fourier transform infrared spectroscopy and second derivative infrared spectroscopy were used to study and compare the characteristics of leaves of three Elaeagnus medicinal plants. The IR spectra and second derivative infrared spectra of the three Elaeagnus plants leaves were similar on the whole, the intensity or ratio of intensity of some absorption peaks still had certain distinctions, and the differences of the second derivative infrared spectra were more obvious. There were only slight differences between large and small leaf type of samples of Elaeagnus lanceolata; the differences of the plant leaves of one species collected in different harvest periods were far smaller than those of others belonging to the same genus. IR can be relatively reliably used for identification of the three Elaeagnus leaves.

Evaluation of apparent viscosity of Para rubber latex by diffuse reflection near-infrared spectroscopy.

PubMed

Sirisomboon, Panmanas; Chowbankrang, Rawiphan; Williams, Phil

2012-05-01

Near-infrared spectroscopy in diffuse reflection mode was used to evaluate the apparent viscosity of Para rubber field latex and concentrated latex over the wavelength range of 1100 to 2500 nm, using partial least square regression (PLSR). The model with ten principal components (PCs) developed using the raw spectra accurately predicted the apparent viscosity with correlation coefficient (r), standard error of prediction (SEP), and bias of 0.974, 8.6 cP, and -0.4 cP, respectively. The ratio of the SEP to the standard deviation (RPD) and the ratio of the SEP to the range (RER) for the prediction were 4.4 and 16.7, respectively. Therefore, the model can be used for measurement of the apparent viscosity of field latex and concentrated latex in quality assurance and process control in the factory.

Exploration of attenuated total reflectance mid-infrared spectroscopy and multivariate calibration to measure immunoglobulin G in human sera.

PubMed

Hou, Siyuan; Riley, Christopher B; Mitchell, Cynthia A; Shaw, R Anthony; Bryanton, Janet; Bigsby, Kathryn; McClure, J Trenton

2015-09-01

Immunoglobulin G (IgG) is crucial for the protection of the host from invasive pathogens. Due to its importance for human health, tools that enable the monitoring of IgG levels are highly desired. Consequently there is a need for methods to determine the IgG concentration that are simple, rapid, and inexpensive. This work explored the potential of attenuated total reflectance (ATR) infrared spectroscopy as a method to determine IgG concentrations in human serum samples. Venous blood samples were collected from adults and children, and from the umbilical cord of newborns. The serum was harvested and tested using ATR infrared spectroscopy. Partial least squares (PLS) regression provided the basis to develop the new analytical methods. Three PLS calibrations were determined: one for the combined set of the venous and umbilical cord serum samples, the second for only the umbilical cord samples, and the third for only the venous samples. The number of PLS factors was chosen by critical evaluation of Monte Carlo-based cross validation results. The predictive performance for each PLS calibration was evaluated using the Pearson correlation coefficient, scatter plot and Bland-Altman plot, and percent deviations for independent prediction sets. The repeatability was evaluated by standard deviation and relative standard deviation. The results showed that ATR infrared spectroscopy is potentially a simple, quick, and inexpensive method to measure IgG concentrations in human serum samples. The results also showed that it is possible to build a united calibration curve for the umbilical cord and the venous samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Step-scan differential Fourier transform infrared photoacoustic spectroscopy (DFTIR-PAS): a spectral deconvolution method for weak absorber detection in the presence of strongly overlapping background absorptions.

PubMed

Liu, Lixian; Mandelis, Andreas; Huan, Huiting; Michaelian, Kirk H

2017-04-01

The determination of small absorption coefficients of trace gases in the atmosphere constitutes a challenge for analytical air contaminant measurements, especially in the presence of strongly absorbing backgrounds. A step-scan differential Fourier transform infrared photoacoustic spectroscopy (DFTIR-PAS) method was developed to suppress the coherent external noise and spurious photoacoustic (PA) signals caused by strongly absorbing backgrounds. The infrared absorption spectra of acetylene (C₂H₂) and local air were used to verify the performance of the step-scan DFTIR-PAS method. A linear amplitude response to C₂H₂ concentrations from 100 to 5000 ppmv was observed, leading to a theoretical detection limit of 5 ppmv. The differential mode was capable of eliminating the coherent noise and dominant background gas signals, thereby revealing the presence of the otherwise hidden C₂H₂ weak absorption. Thus, the step-scan DFTIR-PAS modality was demonstrated to be an effective approach for monitoring weakly absorbing gases with absorption bands overlapped by strongly absorbing background species.

Unusual infrared absorption increases in photo-degraded organic films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shah, Satvik; Biswas, Rana; Koschny, Thomas

Degradation is among the most pressing problems facing organic materials, occurring through ingress of moisture and oxygen, and light exposure. We determine the nanoscale pathways underlying degradation by light-soaking organic films in an environmental chamber, and performing infrared spectroscopy, to identify atomic bonding changes. We utilize as a prototype the low band gap PTB7-PCBM blend. Films light-soaked in the presence of oxygen show unusual increased absorption at 1727 cm –1 attributable to increased C=O modes, and a broad increase at 3240 cm –1 attributable to hydroxyl (O–H) groups bonded within the organic matrix. Films exposed to oxygen in the dark,more » or light-soaked in an inert atmosphere, do not exhibit significant absorption changes, suggesting simultaneous exposure of oxygen and light that creates singlet excited oxygen is the detrimental factor. Our ab initio electronic structure simulations interpret these by oxidation at the α-C site of the alkyl chains in PTB7, with an irreversible rupture of the alkyl chain and formation of new C=O and C–O–H conformations at the α-C. Infrared spectroscopy coupled with ab initio simulation can provide a powerful tool for quantifying photo-structural atomic bonding changes. As a result, understanding nanoscale light-induced structural changes will open avenues to designing more stable organic materials for organic electronics.« less

Unusual infrared absorption increases in photo-degraded organic films

DOE PAGES

Shah, Satvik; Biswas, Rana; Koschny, Thomas; ...

2017-06-05

Degradation is among the most pressing problems facing organic materials, occurring through ingress of moisture and oxygen, and light exposure. We determine the nanoscale pathways underlying degradation by light-soaking organic films in an environmental chamber, and performing infrared spectroscopy, to identify atomic bonding changes. We utilize as a prototype the low band gap PTB7-PCBM blend. Films light-soaked in the presence of oxygen show unusual increased absorption at 1727 cm –1 attributable to increased C=O modes, and a broad increase at 3240 cm –1 attributable to hydroxyl (O–H) groups bonded within the organic matrix. Films exposed to oxygen in the dark,more » or light-soaked in an inert atmosphere, do not exhibit significant absorption changes, suggesting simultaneous exposure of oxygen and light that creates singlet excited oxygen is the detrimental factor. Our ab initio electronic structure simulations interpret these by oxidation at the α-C site of the alkyl chains in PTB7, with an irreversible rupture of the alkyl chain and formation of new C=O and C–O–H conformations at the α-C. Infrared spectroscopy coupled with ab initio simulation can provide a powerful tool for quantifying photo-structural atomic bonding changes. As a result, understanding nanoscale light-induced structural changes will open avenues to designing more stable organic materials for organic electronics.« less

A rapid field test for the measurement of bovine serum immunoglobulin G using attenuated total reflectance infrared spectroscopy.

PubMed

Elsohaby, Ibrahim; Hou, Siyuan; McClure, J Trenton; Riley, Christopher B; Shaw, R Anthony; Keefe, Gregory P

2015-08-20

Following the recent development of a new approach to quantitative analysis of IgG concentrations in bovine serum using transmission infrared spectroscopy, the potential to measure IgG levels using technology and a device better designed for field use was investigated. A method using attenuated total reflectance infrared (ATR) spectroscopy in combination with partial least squares (PLS) regression was developed to measure bovine serum IgG concentrations. ATR spectroscopy has a distinct ease-of-use advantage that may open the door to routine point-of-care testing. Serum samples were collected from calves and adult cows, tested by a reference RID method, and ATR spectra acquired. The spectra were linked to the RID-IgG concentrations and then randomly split into two sets: calibration and prediction. The calibration set was used to build a calibration model, while the prediction set was used to assess the predictive performance and accuracy of the final model. The procedure was repeated for various spectral data preprocessing approaches. For the prediction set, the Pearson's and concordance correlation coefficients between the IgG measured by RID and predicted by ATR spectroscopy were both 0.93. The Bland Altman plot revealed no obvious systematic bias between the two methods. ATR spectroscopy showed a sensitivity for detection of failure of transfer of passive immunity (FTPI) of 88 %, specificity of 100 % and accuracy of 94 % (with IgG <1000 mg/dL as the FTPI cut-off value). ATR spectroscopy in combination with multivariate data analysis shows potential as an alternative approach for rapid quantification of IgG concentrations in bovine serum and the diagnosis of FTPI in calves.

Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as a Forensic Method to Determine the Composition of Inks Used to Print the United States One-cent Blue Benjamin Franklin Postage Stamps of the 19th Century.

PubMed

Brittain, Harry G

2016-01-01

Through the combined use of infrared (IR) absorption spectroscopy and attenuated total reflectance (ATR) sampling, the composition of inks used to print the many different types of one-cent Benjamin Franklin stamps of the 19th century has been established. This information permits a historical evaluation of the formulations used at various times, and also facilitates the differentiation of the various stamps from each other. In two instances, the ink composition permits the unambiguous identification of stamps whose appearance is identical, and which (until now) have only been differentiated through estimates of the degree of hardness or softness of the stamp paper, or through the presence or absence of a watermark in the paper. In these instances, the use of ATR Fourier transform infrared spectroscopy (FT-IR) spectroscopy effectively renders irrelevant two 100-year-old practices of stamp identification. Furthermore, since the use of ATR sampling makes it possible to obtain the spectrum of a stamp still attached to its cover, it is no longer necessary to identify these blue Franklin stamps using their cancellation dates. © The Author(s) 2015.

Preliminary Method for Direct Quantification of Colistin Methanesulfonate by Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

PubMed Central

Niece, Krista L.

2015-01-01

Colistin use has increased in response to the advent of infections caused by multidrug-resistant organisms. It is administered parenterally as an inactive prodrug, colistin methanesulfonate (CMS). Various formulations of CMS and labeling conventions can lead to confusion about colistin dosing, and questions remain about the pharmacokinetics of CMS. Since CMS does not have strong UV absorbance, current methods employ a laborious process of chemical conversion to colistin followed by precolumn derivatization to detect formed colistin by high-performance liquid chromatography. Here, we report a method for direct quantification of colistin methanesulfonate by attenuated total reflectance Fourier transform infrared spectroscopy (ATR FTIR). PMID:26124160

Application of supercontinuum radiation for mid-infrared spectroscopy

NASA Astrophysics Data System (ADS)

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

2016-04-01

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

Optical diffuse reflectance accessory for measurements of skin tissue by near-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Marbach, R.; Heise, H. M.

1995-02-01

An optimized accessory for measuring the diffuse reflectance spectra of human skin tissue in the near-infrared spectral range is presented. The device includes an on-axis ellipsoidal collecting mirror with efficient illumination optics for small sampling areas of bulky body specimens. The optical design is supported by the results of a Monte Carlo simulation study of the reflectance characteristics of skin tissue. Because the results evolved from efforts to measure blood glucose noninvasively, the main emphasis is placed on the long-wavelength near-infrared range where sufficient penetration depth for radiation into tissue is still available. The accessory is applied for in vivo diffuse reflectance measurements.

Electrochemical and Infrared Absorption Spectroscopy Detection of SF₆ Decomposition Products.

PubMed

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

2017-11-15

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

Analysis of ecstasy tablets: comparison of reflectance and transmittance near infrared spectroscopy.

PubMed

Schneider, Ralph Carsten; Kovar, Karl-Artur

2003-07-08

Calibration models for the quantitation of commonly used ecstasy substances have been developed using near infrared spectroscopy (NIR) in diffuse reflectance and in transmission mode by applying seized ecstasy tablets for model building and validation. The samples contained amphetamine, N-methyl-3,4-methylenedioxy-amphetamine (MDMA) and N-ethyl-3,4-methylenedioxy-amphetamine (MDE) in different concentrations. All tablets were analyzed using high performance liquid chromatography (HPLC) with diode array detection as reference method. We evaluated the performance of each NIR measurement method with regard to its ability to predict the content of each tablet with a low root mean square error of prediction (RMSEP). Best calibration models could be generated by using NIR measurement in transmittance mode with wavelength selection and 1/x-transformation of the raw data. The models build in reflectance mode showed higher RMSEPs using as data pretreatment, wavelength selection, 1/x-transformation and a second order Savitzky-Golay derivative with five point smoothing was applied to obtain the best models. To estimate the influence of inhomogeneities in the illegal tablets, a calibration of the destroyed, i.e. triturated samples was build and compared to the corresponding data of the whole tablets. The calibrations using these homogenized tablets showed lower RMSEPs. We can conclude that NIR analysis of ecstasy tablets in transmission mode is more suitable than measurement in diffuse reflectance to obtain quantification models for their active ingredients with regard to low errors of prediction. Inhomogeneities in the samples are equalized when measuring the tablets as powdered samples.

Non-uniform temperature and species concentration measurements in a laminar flame using multi-band infrared absorption spectroscopy

NASA Astrophysics Data System (ADS)

Ma, Liu Hao; Lau, Lok Yin; Ren, Wei

2017-03-01

We report in situ measurements of non-uniform temperature, H2O and CO2 concentration distributions in a premixed methane-air laminar flame using tunable diode laser absorption spectroscopy (TDLAS). A mid-infrared, continuous-wave, room-temperature interband cascade laser (ICL) at 4183 nm was used for the sensitive detection of CO2 at high temperature.The H2O absorption lines were exploited by one distributed feedback (DFB) diode laser at 1343 nm and one ICL at 2482 nm to achieve multi-band absorption measurements with high species concentration sensitivity, high temperature sensitivity, and immunity to variations in ambient conditions. A novel profile-fitting function was proposed to characterize the non-uniform temperature and species concentrations along the line-of-sight in the flame by detecting six absorption lines of CO2 and H2O simultaneously. The flame temperature distribution was measured at different heights above the burner (5-20 mm), and compared with the thermocouple measurement with heat-transfer correction. Our TDLAS measured temperature of the central flame was in excellent agreement (<1.5% difference) with the thermocouple data.The TDLAS results were also compared with the CFD simulations using a detailed chemical kinetics mechanism (GRI 3.0) and considering the heat loss to the surroundings.The current CFD simulation overpredicted the flame temperature in the gradient region, but was in excellent agreement with the measured temperature and species concentration in the core of the flame.

Feasibility study of mid-infrared absorption spectroscopy using electrospray ionization

NASA Astrophysics Data System (ADS)

Ahmed, Tahsin; Foster, Erick; Bohn, Paul; Howard, Scott

2016-09-01

Precise detection of trace amount of molecules, such as the disease biomarkers present in biofluids or explosive residues, requires high sensitivity detection. electrospray ionization-mass spectrometry (ESI-MS) is a common and effective technique for sensitive trace molecular detection in small-volume liquid samples. In ESI-MS, nano-liter volume samples are ionized and aerosolized by ESI, and fed into MS for mass analysis. ESI-MS has proven to be a reliable ionization technique for coupling liquid phase separations like liquid chromatography (LC) and capillary zone electrophoresis (CE) with the highly specific resolving power of MS. While CE and ESI can be performed on a microfluidic chip having a footprint of a few cm2, MS is typically at least 100 times bigger in size than a micro-chip. A reduced size, weight, and power profile would enable semi-portable applications in forensics, environmental monitoring, defense, and biological/pharmaceutical applications. To achieve this goal, we present an initial study evaluating the use of mid-infrared absorption spectroscopy (MIRAS) in place of MS to create a ESI-MIRAS system. To establish feasibility, we perform ESI-MIRAS on phospholipid samples, which have been previously demonstrated to be separable by CE. Phospholipids are biomarkers of degenerative neurological, kidney, and bone diseases and can be found in biofluids such as blood, urine and cerebrospinal fluid. To establish sensitivity limits, calibration samples of 100 μM concentration are electrospray deposited on to a grounded Si wafer for different times (1 minutes to 4 minutes with a 1 minute step). The minimum detectable concentration-time product, where a FTIR globar is used as the MIR source, is found 200 μM·s.

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.

Cryogenic Infrared Reflectance Spectra of Organic Ices and Their Relevance to the Surface Composition of Titan

NASA Astrophysics Data System (ADS)

Curchin, John; Clark, R. N.; Hoefen, T. M.

2006-09-01

In order to properly interpret reflectance spectra of Titan's surface, laboratory spectra of candidate materials for comparative analysis is needed. Although the common cosmochemical species (H2O, CO2, CO, NH3, and CH4) are well represented in the spectroscopic literature, comparatively little reflectance work has been done on organics at cryotemperatures at visible to near infrared wavelengths. Measurement of reflectance is required for characterizing weak features not seen in transmittance. Such features may be important in remote sensing of planetary surfaces. The USGS Spectroscopy Laboratory uses Nicolet FT-IR and ASD field spectrometers in combination with cryogenic chambers to acquire reflectance spectra of organic ices at approximately 80-90 ºK in a wavelength range of 0.35 to 15.5 microns. This region encompasses the fundamental absorptions and many overtones and combinations of major organic molecules including those with hydrogen-carbon, carbon-carbon (single, double and triple bonds), carbon-oxygen, oxygen-hydrogen, carbon-nitrogen, and nitrogen-hydrogen bonds. Because most organic compounds belong to families with similar structure and composition, individual species identification within a narrow wavelength range may be ambiguous. Only by measuring spectral reflectance of the pure laboratory ices from the visible through the near and mid-infrared can absorption bands unique to each be observed, cataloged and compared to planetary reflectance data. We present here spectra of organic ices belonging to eight families, the alkanes, cycloalkanes, alkenes, alkynes, aromatics, nitriles, amines, and cyanides. Many of these compounds are predicted to coat the surface of Titan and indeed, a number of atmospheric windows, particularly at 5 microns, have allowed their identification with VIMS (Clark et al., DPS 2006, this volume). The spectral properties of these materials have applications to other solar system surfaces and remote sensing of terrestrial

Mid-Infrared Reflectance Imaging of Thermal-Barrier Coatings

NASA Technical Reports Server (NTRS)

Edlridge, Jeffrey I.; Martin, Richard E.

2009-01-01

An apparatus for mid-infrared reflectance imaging has been developed as means of inspecting for subsurface damage in thermal-barrier coatings (TBCs). The apparatus is designed, more specifically, for imaging the progression of buried delamination cracks in plasma-sprayed yttria-stabilized zirconia coatings on turbine-engine components. Progression of TBC delamination occurs by the formation of buried cracks that grow and then link together to produce eventual TBC spallation. The mid-infrared reflectance imaging system described here makes it possible to see delamination progression that is invisible to the unaided eye, and therefore give sufficiently advanced warning before delamination progression adversely affects engine performance and safety. The apparatus (see figure) includes a commercial mid-infrared camera that contains a liquid-nitrogen-cooled focal plane indium antimonide photodetector array, and imaging is restricted by a narrow bandpass centered at wavelength of 4 microns. This narrow wavelength range centered at 4 microns was chosen because (1) it enables avoidance of interfering absorptions by atmospheric OH and CO2 at 3 and 4.25 microns, respectively; and (2) the coating material exhibits maximum transparency in this wavelength range. Delamination contrast is produced in the midinfrared reflectance images because the introduction of cracks into the TBC creates an internal TBC/air-gap interface with a high diffuse reflectivity of 0.81, resulting in substantially higher reflectance of mid-infrared radiation in regions that contain buried delamination cracks. The camera is positioned a short distance (.12 cm) from the specimen. The mid-infrared illumination is generated by a 50-watt silicon carbide source positioned to the side of the mid-infrared camera, and the illumination is collimated and reflected onto the specimen by a 6.35-cm-diameter off-axis paraboloidal mirror. Because the collected images are of a steady-state reflected intensity (in

Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements.

PubMed

Bai, Wenming; Yoshimura, Norio; Takayanagi, Masao; Che, Jingai; Horiuchi, Naomi; Ogiwara, Isao

2016-06-28

Nondestructive prediction of ingredient contents of farm products is useful to ship and sell the products with guaranteed qualities. Here, near-infrared spectroscopy is used to predict nondestructively total sugar, total organic acid, and total anthocyanin content in each blueberry. The technique is expected to enable the selection of only delicious blueberries from all harvested ones. The near-infrared absorption spectra of blueberries are measured with the diffuse reflectance mode at the positions not on the calyx. The ingredient contents of a blueberry determined by high-performance liquid chromatography are used to construct models to predict the ingredient contents from observed spectra. Partial least squares regression is used for the construction of the models. It is necessary to properly select the pretreatments for the observed spectra and the wavelength regions of the spectra used for analyses. Validations are necessary for the constructed models to confirm that the ingredient contents are predicted with practical accuracies. Here we present a protocol to construct and validate the models for nondestructive prediction of ingredient contents in blueberries by near-infrared spectroscopy.

Structure of Co-Doped Alq3 thin films investigated by grazing incidence X-ray absorption fine structure and Fourier transform infrared spectroscopy.

PubMed

Lin, Liang; Pang, Zhiyong; Fang, Shaojie; Wang, Fenggong; Song, Shumei; Huang, Yuying; Wei, Xiangjun; Yu, Haisheng; Han, Shenghao

2011-02-10

The structural properties of Co-doped tris(8-hydroxyquinoline)aluminum (Alq(3)) have been studied by grazing incidence X-ray absorption fine structure (GIXAFS) and Fourier transform infrared spectroscopy (FTIR). GIXAFS analysis suggests that there are multivalent Co-Alq(3) complexes and the doped Co atoms tend to locate at the attraction center with respect to N and O atoms and bond with them. The FTIR spectra indicate that the Co atoms interact with the meridional (mer) isomer of Alq(3) rather than forming inorganic compounds.

Reflectance Infrared Spectroscopy on Operating Surface Acoustic Wave Chemical Sensors During Exposure to Gas-Phase Analytes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hierlemann, A.; Hill, M.; Ricco, A.J.

We have developed instrumentation to enable the combination of surface acoustic wave (SAW) sensor measurements with direct, in-situ molecular spectroscopic measurements to understand the response of the SAW sensors with respect to the interfacial chemistry of surface-confined sensing films interacting with gas-phase analytes. Specifically, the instrumentation and software was developed to perform in-situ Fourier-transform infrared external-reflectance spectroscopy (FTIR-ERS) on operating SAW devices during dosing of their chemically modified surfaces with analytes. By probing the surface with IR spectroscopy during gas exposure, it is possible to understand in unprecedented detail the interaction processes between the sorptive SAW coatings and the gaseousmore » analyte molecules. In this report, we provide details of this measurement system, and also demonstrate the utility of these combined measurements by characterizing the SAW and FTIR-ERS responses of organic thin-film sensor coatings interacting with gas-phase analytes.« less

Development of an ultra-compact mid-infrared attenuated total reflectance spectrophotometer

NASA Astrophysics Data System (ADS)

Kim, Dong Soo; Lee, Tae-Ro; Yoon, Gilwon

2014-07-01

Mid-infrared spectroscopy has been an important tool widely used for qualitative analysis in various fields. However, portable or personal use is size and cost prohibitive for either Fourier transform infrared or attenuated total reflectance (ATR) spectrophotometers. In this study, we developed an ultra-compact ATR spectrophotometer whose frequency band was 5.5-11.0 μm. We used miniature components, such as a light source fabricated by semiconductor technology, a linear variable filter, and a pyro-electric array detector. There were no moving parts. Optimal design based on two light sources, a zippered configuration of the array detector and ATR optics could produce absorption spectra that might be used for qualitative analysis. A microprocessor synchronized the pulsed light sources and detector, and all the signals were processed digitally. The size was 13.5×8.5×3.5 cm3 and the weight was 300 grams. Due to its low cost, our spectrophotometer can replace many online monitoring devices. Another application could be for a u-healthcare system installed in the bathroom or attached to a smartphone for monitoring substances in body fluids.

Infrared spectroscopy of radiation-chemical transformation of n-hexane on a beryllium surface

NASA Astrophysics Data System (ADS)

Gadzhieva, N. N.

2017-07-01

The radiation-chemical decomposition of n-hexane in a Be- n-hexane system under the effect of γ-irradiation at room temperature is studied by infrared reflection-absorption spectroscopy. In the absorbed dose range 5 kGy ≤ Vγ ≤ 50 kGy, intermediate surface products of radiation-heterogeneous decomposition of n-hexane (beryllium alkyls, π-olefin complexes, and beryllium hydrides) are detected. It is shown that complete radiolysis occurs at Vγ = 30 kGy; below this dose, decomposition of n-hexane occurs only partially, while higher doses lead to steady-state saturation. The radiation-chemical yield of the final decomposition product—molecular hydrogen—is determined to be G ads(H2) = 24.8 molecules/100 eV. A possible mechanism of this process is discussed.

Identification of Uranium Minerals in Natural U-Bearing Rocks Using Infrared Reflectance Spectroscopy.

PubMed

Beiswenger, Toya N; Gallagher, Neal B; Myers, Tanya L; Szecsody, James E; Tonkyn, Russell G; Su, Yin-Fong; Sweet, Lucas E; Lewallen, Tricia A; Johnson, Timothy J

2018-02-01

The identification of minerals, including uranium-bearing species, is often a labor-intensive process using X-ray diffraction (XRD), fluorescence, or other solid-phase or wet chemical techniques. While handheld XRD and fluorescence instruments can aid in field applications, handheld infrared (IR) reflectance spectrometers can now also be used in industrial or field environments, with rapid, nondestructive identification possible via analysis of the solid's reflectance spectrum providing information not found in other techniques. In this paper, we report the use of laboratory methods that measure the IR hemispherical reflectance of solids using an integrating sphere and have applied it to the identification of mineral mixtures (i.e., rocks), with widely varying percentages of uranium mineral content. We then apply classical least squares (CLS) and multivariate curve resolution (MCR) methods to better discriminate the minerals (along with two pure uranium chemicals U 3 O 8 and UO 2 ) against many common natural and anthropogenic background materials (e.g., silica sand, asphalt, calcite, K-feldspar) with good success. Ground truth as to mineral content was attained primarily by XRD. Identification is facile and specific, both for samples that are pure or are partially composed of uranium (e.g., boltwoodite, tyuyamunite, etc.) or non-uranium minerals. The characteristic IR bands generate unique (or class-specific) bands, typically arising from similar chemical moieties or functional groups in the minerals: uranyls, phosphates, silicates, etc. In some cases, the chemical groups that provide spectral discrimination in the longwave IR reflectance by generating upward-going (reststrahlen) bands can provide discrimination in the midwave and shortwave IR via downward-going absorption features, i.e., weaker overtone or combination bands arising from the same chemical moieties.

Intracavity Laser Absorption Spectroscopy of Platinum Nitride in the Near Infrared

NASA Astrophysics Data System (ADS)

O'Brien, Leah C.; Womack, Kaitlin A.; O'Brien, James J.; Whittemore, Sean

2013-06-01

The (2,0) band of the A^{2}Σ^{-} - X^{2}Π_{1/2} electronic transition of PtN has been recorded using intracavity laser absorption spectroscopy. Transitions from ^{194}PtN, ^{195}PtN, and ^{196}PtN isotopologues are observed, as well as the nuclear hyperfine splitting due to ^{195}Pt with I=1/2. The results of the analysis will be presented and compared with ab initio calculations.

Identification of natural red and purple dyes on textiles by Fiber-optics Reflectance Spectroscopy.

PubMed

Maynez-Rojas, M A; Casanova-González, E; Ruvalcaba-Sil, J L

2017-05-05

Understanding dye chemistry and dye processes is an important issue for studies of cultural heritage collections and science conservation. Fiber Optics Reflectance Spectroscopy (FORS) is a powerful technique, which allows preliminary dye identification, causing no damage or mechanical stress on the artworks subjected to analysis. Some information related to specific light scattering and absorption can be obtained in the UV-visible and infrared range (300-1400nm) and it is possible to discriminate the kind of support fiber in the near infrared region (1000-2500nm). The main spectral features of natural dye fibers samples, such as reflection maxima, inflection points and reflection minima, can be used in the differentiation of various red natural dyes. In this work, a set of dyed references were manufactured following Mexican recipes with red dyes (cochineal and brazilwood) in order to determine the characteristic FORS spectral features of fresh and aged dyed fibers for their identification in historical pieces. Based on these results, twenty-nine indigenous textiles belonging to the National Commission for the Development of Indigenous People of Mexico were studied. Cochineal and brazilwood were successfully identified by FORS in several pieces, as well as the mixture of cochineal and indigo for purple color. Copyright © 2017 Elsevier B.V. All rights reserved.

Identification of natural red and purple dyes on textiles by Fiber-optics Reflectance Spectroscopy

NASA Astrophysics Data System (ADS)

Maynez-Rojas, M. A.; Casanova-González, E.; Ruvalcaba-Sil, J. L.

2017-05-01

Understanding dye chemistry and dye processes is an important issue for studies of cultural heritage collections and science conservation. Fiber Optics Reflectance Spectroscopy (FORS) is a powerful technique, which allows preliminary dye identification, causing no damage or mechanical stress on the artworks subjected to analysis. Some information related to specific light scattering and absorption can be obtained in the UV-visible and infrared range (300-1400 nm) and it is possible to discriminate the kind of support fiber in the near infrared region (1000-2500 nm). The main spectral features of natural dye fibers samples, such as reflection maxima, inflection points and reflection minima, can be used in the differentiation of various red natural dyes. In this work, a set of dyed references were manufactured following Mexican recipes with red dyes (cochineal and brazilwood) in order to determine the characteristic FORS spectral features of fresh and aged dyed fibers for their identification in historical pieces. Based on these results, twenty-nine indigenous textiles belonging to the National Commission for the Development of Indigenous People of Mexico were studied. Cochineal and brazilwood were successfully identified by FORS in several pieces, as well as the mixture of cochineal and indigo for purple color.

Collision-Induced Infrared Absorption by Hydrogen-Helium gas mixtures at Thousands of Kelvin

NASA Astrophysics Data System (ADS)

Abel, Martin; Frommhold, Lothar; Li, Xiaoping; Hunt, Katharine L. C.

2010-10-01

The interaction-induced absorption by collisional pairs of H2 molecules is an important opacity source in the atmospheres of the outer planets and cool stars ^[1]. The emission spectra of cool white dwarf stars differ significantly in the infrared from the expected blackbody spectra of their cores, which is largely due to absorption by collisional H2--H2, H2--He, and H2--H complexes in the stellar atmospheres. Using quantum-chemical methods we compute the atmospheric absorption from hundreds to thousands of kelvin ^[2]. Laboratory measurements of interaction-induced absorption spectra by H2 pairs exist only at room temperature and below. We show that our results reproduce these measurements closely ^[2], so that our computational data permit reliable modeling of stellar atmosphere opacities even for the higher temperatures ^[2]. [1] L. Frommhold, Collision-Induced Absorption in Gases, Cambridge University Press, Cambridge, New York, 1993 and 2006 [2] Xiaoping Li, Katharine L. C. Hunt, Fei Wang, Martin Abel, and Lothar Frommhold, ``Collision-Induced Infrared Absorption by Molecular Hydrogen Pairs at Thousands of Kelvin'', International Journal of Spectroscopy, vol. 2010, Article ID 371201, 11 pages, 2010. doi: 10.1155/2010/371201

Fourier transform infrared spectroscopy imaging of live epithelial cancer cells under non-aqueous media.

PubMed

Soh, JunYi; Chueng, Adeline; Adio, Aminat; Cooper, Alan J; Birch, Brian R; Lwaleed, Bashir A

2013-04-01

Fourier transform infrared (FT-IR) imaging is increasingly being applied to biomedical specimens, but strong IR absorption by water complicates live cell imaging. This study investigates the viability of adherent epithelial cells maintained for short periods under mineral oils in order to facilitate live cell spectroscopy using FT-IR with subsequent imaging. The MGH-U1 urothelial or CaCo2 colorectal cancer cell lines were grown on plastic surfaces or mid-range infrared transparent windows. Medium in established cultures was replaced with paraffin mineral oil, or Fluorolube, for up to 2 h, and viability assessed by supravital staining. Drug handling characteristics were also assessed. Imaging of preparations was attempted by reflectance and transmission using a Varian FT-IR microscope. Cells covered by mineral oil remained viable for 2 h, with recovery into normal medium possible. MTT ((3-(4,5-dimethylthlazol-2-yl)-2,5-diphenyl tetrazolium) conversion to crystalline formazan and differential patterns of drug uptake were maintained. The combination of a calcium fluoride substrate, Fluorolube oil, and transmission optics proved best for spectroscopy. Spectral features were used to obtain images of live cells. The viability of cells overlaid with IR transparent oils was assessed as part of a technique to optimise conditions for FT-IR imaging. Images of untreated cells were obtained using both reflectance and transmission. This represents an effective means of imaging live cells by IR spectroscopy, and also means that imaging is not necessarily a terminal event. It also increases options for producing images based on real-time biochemistry in a range of in vitro experimental and 'optical biopsy' contexts.

[Near-infrared reflectance spectroscopy predicts protein, moisture and ash in beans].

PubMed

Gao, Huiyu; Wang, Guodong; Men, Jianhua; Wang, Zhu

2017-05-01

To explore the potential of near-infrared reflectance( NIR)spectroscopy to determine macronutrient contents in beans. NIR spectra and analytical measurements of protein, moisture and ash were collected from 70 kinds of beans. Reference methods were used to analyze all the ground beans samples. NIR spectra on intact and ground beans samples were registered. Partial least-squares( PLS)regression models were developed with principal components analysis( PCA) to assign 49 bean accessions to a calibration data set and 21 accessions to an external validation set. For intact beans, the relative predictive determinant( RPD) values for protein and ash( 3. 67 and 3. 97, respectively) were good for screening. RPD value for moisture was only 1. 39, which was not recommended. For ground beans, the RPD values for protein, moisture and ash( 6. 63, 5. 25 and 3. 57, respectively) were good enough for screening. The protein, moisture and ash levels for intact and ground beans were all significantly correlated( P < 0. 001) between the NIR and reference method and there was no statistically significant difference in the mean with these three traits. This research demonstrates that NIR is a promising technique for simultaneous sorting ofmultiple traits in beans with no or easy sample preparation.

Prediction of Soil Organic Carbon at the European Scale by Visible and Near InfraRed Reflectance Spectroscopy.

PubMed

Stevens, Antoine; Nocita, Marco; Tóth, Gergely; Montanarella, Luca; van Wesemael, Bas

2013-01-01

Soil organic carbon is a key soil property related to soil fertility, aggregate stability and the exchange of CO2 with the atmosphere. Existing soil maps and inventories can rarely be used to monitor the state and evolution in soil organic carbon content due to their poor spatial resolution, lack of consistency and high updating costs. Visible and Near Infrared diffuse reflectance spectroscopy is an alternative method to provide cheap and high-density soil data. However, there are still some uncertainties on its capacity to produce reliable predictions for areas characterized by large soil diversity. Using a large-scale EU soil survey of about 20,000 samples and covering 23 countries, we assessed the performance of reflectance spectroscopy for the prediction of soil organic carbon content. The best calibrations achieved a root mean square error ranging from 4 to 15 g C kg(-1) for mineral soils and a root mean square error of 50 g C kg(-1) for organic soil materials. Model errors are shown to be related to the levels of soil organic carbon and variations in other soil properties such as sand and clay content. Although errors are ∼5 times larger than the reproducibility error of the laboratory method, reflectance spectroscopy provides unbiased predictions of the soil organic carbon content. Such estimates could be used for assessing the mean soil organic carbon content of large geographical entities or countries. This study is a first step towards providing uniform continental-scale spectroscopic estimations of soil organic carbon, meeting an increasing demand for information on the state of the soil that can be used in biogeochemical models and the monitoring of soil degradation.

Prediction of Soil Organic Carbon at the European Scale by Visible and Near InfraRed Reflectance Spectroscopy

PubMed Central

Stevens, Antoine; Nocita, Marco; Tóth, Gergely; Montanarella, Luca; van Wesemael, Bas

2013-01-01

Soil organic carbon is a key soil property related to soil fertility, aggregate stability and the exchange of CO2 with the atmosphere. Existing soil maps and inventories can rarely be used to monitor the state and evolution in soil organic carbon content due to their poor spatial resolution, lack of consistency and high updating costs. Visible and Near Infrared diffuse reflectance spectroscopy is an alternative method to provide cheap and high-density soil data. However, there are still some uncertainties on its capacity to produce reliable predictions for areas characterized by large soil diversity. Using a large-scale EU soil survey of about 20,000 samples and covering 23 countries, we assessed the performance of reflectance spectroscopy for the prediction of soil organic carbon content. The best calibrations achieved a root mean square error ranging from 4 to 15 g C kg−1 for mineral soils and a root mean square error of 50 g C kg−1 for organic soil materials. Model errors are shown to be related to the levels of soil organic carbon and variations in other soil properties such as sand and clay content. Although errors are ∼5 times larger than the reproducibility error of the laboratory method, reflectance spectroscopy provides unbiased predictions of the soil organic carbon content. Such estimates could be used for assessing the mean soil organic carbon content of large geographical entities or countries. This study is a first step towards providing uniform continental-scale spectroscopic estimations of soil organic carbon, meeting an increasing demand for information on the state of the soil that can be used in biogeochemical models and the monitoring of soil degradation. PMID:23840459

Rapid determination of sugar level in snack products using infrared spectroscopy.

PubMed

Wang, Ting; Rodriguez-Saona, Luis E

2012-08-01

Real-time spectroscopic methods can provide a valuable window into food manufacturing to permit optimization of production rate, quality and safety. There is a need for cutting edge sensor technology directed at improving efficiency, throughput and reliability of critical processes. The aim of the research was to evaluate the feasibility of infrared systems combined with chemometric analysis to develop rapid methods for determination of sugars in cereal products. Samples were ground and spectra were collected using a mid-infrared (MIR) spectrometer equipped with a triple-bounce ZnSe MIRacle attenuated total reflectance accessory or Fourier transform near infrared (NIR) system equipped with a diffuse reflection-integrating sphere. Sugar contents were determined using a reference HPLC method. Partial least squares regression (PLSR) was used to create cross-validated calibration models. The predictability of the models was evaluated on an independent set of samples and compared with reference techniques. MIR and NIR spectra showed characteristic absorption bands for sugars, and generated excellent PLSR models (sucrose: SEP < 1.7% and r > 0.96). Multivariate models accurately and precisely predicted sugar level in snacks allowing for rapid analysis. This simple technique allows for reliable prediction of quality parameters, and automation enabling food manufacturers for early corrective actions that will ultimately save time and money while establishing a uniform quality. The U.S. snack food industry generates billions of dollars in revenue each year and vibrational spectroscopic methods combined with pattern recognition analysis could permit optimization of production rate, quality, and safety of many food products. This research showed that infrared spectroscopy is a powerful technique for near real-time (approximately 1 min) assessment of sugar content in various cereal products. © 2012 Institute of Food Technologists®

Mid-infrared gas absorption sensor based on a broadband external cavity quantum cascade laser

NASA Astrophysics Data System (ADS)

Sun, Juan; Deng, Hao; Liu, Ningwu; Wang, Hongliang; Yu, Benli; Li, Jingsong

2016-12-01

We developed a laser absorption sensor based on a pulsed, broadband tunable external cavity quantum cascade laser (ECQCL) centered at 1285 cm-1. Unlike traditional infrared spectroscopy system, a quartz crystal tuning fork (QCTF) as a light detector was used for laser signal detection. Fast Fourier transform was applied to extract vibration intensity information of QCTF. The sensor system is successfully tested on nitrous oxide (N2O) spectroscopy measurements and compared with a standard infrared detector. The wide wavelength tunability of ECQCL will allow us to access the fundamental vibrational bands of many chemical agents, which are well-suited for trace explosive, chemical warfare agent, and toxic industrial chemical detection and spectroscopic analysis.

Mid-infrared gas absorption sensor based on a broadband external cavity quantum cascade laser.

PubMed

Sun, Juan; Deng, Hao; Liu, Ningwu; Wang, Hongliang; Yu, Benli; Li, Jingsong

2016-12-01

We developed a laser absorption sensor based on a pulsed, broadband tunable external cavity quantum cascade laser (ECQCL) centered at 1285 cm -1 . Unlike traditional infrared spectroscopy system, a quartz crystal tuning fork (QCTF) as a light detector was used for laser signal detection. Fast Fourier transform was applied to extract vibration intensity information of QCTF. The sensor system is successfully tested on nitrous oxide (N 2 O) spectroscopy measurements and compared with a standard infrared detector. The wide wavelength tunability of ECQCL will allow us to access the fundamental vibrational bands of many chemical agents, which are well-suited for trace explosive, chemical warfare agent, and toxic industrial chemical detection and spectroscopic analysis.

Optical constants of ammonium sulfate in the infrared. [stratospheric aerosol refractive and absorption indices

NASA Technical Reports Server (NTRS)

Downing, H. D.; Pinkley, L. W.; Sethna, P. P.; Williams, D.

1977-01-01

The infrared spectral reflectance at near normal incidence has been measured for 3.2 M, 2.4 M, and 1.6 M solutions of ammonium sulfate, an aerosol abundant in the stratosphere and also present in the troposphere. Kramers-Kronig analysis was used to determine values of the refractive and absorption indices from the measured spectral reflectance. A synthetic spectrum of crystalline ammonium sulfate was obtained by extrapolation of the absorption index obtained for the solution to the absorber number densities of the NH4 and SO4 ions characteristic of the crystal.

Identification of Uranium Minerals in Natural U-Bearing Rocks Using Infrared Reflectance Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beiswenger, Toya N.; Gallagher, Neal B.; Myers, Tanya L.

The identification of minerals, including uranium-bearing minerals, is traditionally a labor-intensive-process using x-ray diffraction (XRD), fluorescence, or other solid-phase and wet chemical techniques. While handheld XRD and fluorescence instruments can aid in field identification, handheld infrared reflectance spectrometers can also be used in industrial or field environments, with rapid, non-destructive identification possible via spectral analysis of the solid’s reflectance spectrum. We have recently developed standard laboratory measurement methods for the infrared (IR) reflectance of solids and have investigated using these techniques for the identification of uranium-bearing minerals, using XRD methods for ground-truth. Due to the rich colors of such species,more » including distinctive spectroscopic signatures in the infrared, identification is facile and specific, both for samples that are pure or are partially composed of uranium (e.g. boltwoodite, schoepite, tyuyamunite, carnotite, etc.) or non-uranium minerals. The method can be used to detect not only pure and partial minerals, but is quite sensitive to chemical change such as hydration (e.g. schoepite). We have further applied statistical methods, in particular classical least squares (CLS) and multivariate curve resolution (MCR) for discrimination of such uranium minerals and two uranium pure chemicals (U3O8 and UO2) against common background materials (e.g. silica sand, asphalt, calcite, K-feldspar) with good success. Each mineral contains unique infrared spectral features; some of the IR features are similar or common to entire classes of minerals, typically arising from similar chemical moieties or functional groups in the minerals: phosphates, sulfates, carbonates, etc. These characteristic 2 infrared bands generate the unique (or class-specific) bands that distinguish the mineral from the interferents or backgrounds. We have observed several cases where the chemical moieties that provide

Far-infrared reflectance spectra of optical black coatings

NASA Technical Reports Server (NTRS)

Smith, S. M.

1983-01-01

Far-infrared specular reflectance spectra of six optically black coatings near normal incidence are presented. The spectra were obtained using nine bandpass transmission filters in the wavelength range between 12 and 300 microns. Data on the construction, thickness, and rms surface roughness of the coatings are also presented. The chemical composition of two coatings can be distinguished from that of the others by a strong absorption feature between 20 and 40 microns which is attributed to amorphous silicate material. Inverse relationships between these spectra and coating roughness and thickness are noted and lead to development of a reflecting-layer model for the measured reflectance. The model is applied to the spectra of several coatings whose construction falls within its constraints.

Classification of Fusarium-Infected Korean Hulled Barley Using Near-Infrared Reflectance Spectroscopy and Partial Least Squares Discriminant Analysis

PubMed Central

Lim, Jongguk; Kim, Giyoung; Mo, Changyeun; Oh, Kyoungmin; Yoo, Hyeonchae; Ham, Hyeonheui; Kim, Moon S.

2017-01-01

The purpose of this study is to use near-infrared reflectance (NIR) spectroscopy equipment to nondestructively and rapidly discriminate Fusarium-infected hulled barley. Both normal hulled barley and Fusarium-infected hulled barley were scanned by using a NIR spectrometer with a wavelength range of 1175 to 2170 nm. Multiple mathematical pretreatments were applied to the reflectance spectra obtained for Fusarium discrimination and the multivariate analysis method of partial least squares discriminant analysis (PLS-DA) was used for discriminant prediction. The PLS-DA prediction model developed by applying the second-order derivative pretreatment to the reflectance spectra obtained from the side of hulled barley without crease achieved 100% accuracy in discriminating the normal hulled barley and the Fusarium-infected hulled barley. These results demonstrated the feasibility of rapid discrimination of the Fusarium-infected hulled barley by combining multivariate analysis with the NIR spectroscopic technique, which is utilized as a nondestructive detection method. PMID:28974012

Infrared reflectance spectra: effects of particle size, provenance and preparation

NASA Astrophysics Data System (ADS)

Su, Yin-Fong; Myers, Tanya L.; Brauer, Carolyn S.; Blake, Thomas A.; Forland, Brenda M.; Szecsody, J. E.; Johnson, Timothy J.

2014-10-01

We have recently developed methods for making more accurate infrared total and diffuse directional - hemispherical reflectance measurements using an integrating sphere. We have found that reflectance spectra of solids, especially powders, are influenced by a number of factors including the sample preparation method, the particle size and morphology, as well as the sample origin. On a quantitative basis we have investigated some of these parameters and the effects they have on reflectance spectra, particularly in the longwave infrared. In the IR the spectral features may be observed as either maxima or minima: In general, upward-going peaks in the reflectance spectrum result from strong surface scattering, i.e. rays that are reflected from the surface without bulk penetration, whereas downward-going peaks are due to either absorption or volume scattering, i.e. rays that have penetrated or refracted into the sample interior and are not reflected. The light signals reflected from solids usually encompass all such effects, but with strong dependencies on particle size and preparation. This paper measures the reflectance spectra in the 1.3 - 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to observe the effects on the spectral features: Bulk materials were ground with a mortar and pestle and sieved to separate the samples into various size fractions between 5 and 500 microns. The median particle size is demonstrated to have large effects on the reflectance spectra. For certain minerals we also observe significant spectral change depending on the geologic origin of the sample. All three such effects (particle size, preparation and provenance) result in substantial change in the reflectance spectra for solid materials; successful identification algorithms will require sufficient flexibility to account for these parameters.

[Fast determination of induction period of motor gasoline using Fourier transform attenuated total reflection infrared spectroscopy].

PubMed

Liu, Ya-Fei; Yuan, Hong-Fu; Song, Chun-Feng; Xie, Jin-Chun; Li, Xiao-Yu; Yan, De-Lin

2014-11-01

A new method is proposed for the fast determination of the induction period of gasoline using Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR). A dedicated analysis system with the function of spectral measurement, data processing, display and storage was designed and integrated using a Fourier transform infrared spectrometer module and chemometric software. The sample presentation accessory designed which has advantages of constant optical path, convenient sample injection and cleaning is composed of a nine times reflection attenuated total reflectance (ATR) crystal of zinc selenide (ZnSe) coated with a diamond film and a stainless steel lid with sealing device. The influence of spectral scanning number and repeated sample loading times on the spectral signal-to-noise ratio was studied. The optimum spectral scanning number is 15 times and the optimum sample loading number is 4 times. Sixty four different gasoline samples were collected from the Beijing-Tianjin area and the induction period values were determined as reference data by standard method GB/T 8018-87. The infrared spectra of these samples were collected in the operating condition mentioned above using the dedicated fast analysis system. Spectra were pretreated using mean centering and 1st derivative to reduce the influence of spectral noise and baseline shift A PLS calibration model for the induction period was established by correlating the known induction period values of the samples with their spectra. The correlation coefficient (R2), standard error of calibration (SEC) and standard error of prediction (SEP) of the model are 0.897, 68.3 and 91.9 minutes, respectively. The relative deviation of the model for gasoline induction period prediction is less than 5%, which meets the requirements of repeatability tolerance in GB method. The new method is simple and fast. It takes no more than 3 minutes to detect one sample. Therefore, the method is feasible for implementing

Reflectance spectroscopy of ferric sulfate-bearing montmorillonites as Mars soil analog materials

NASA Technical Reports Server (NTRS)

Bishop, J. L.; Pieters, C. M.; Burns, R. G.; Edwards, J. O.; Mancinelli, R. L.; Froschl, H.

1995-01-01

Spectroscopic analyses have shown that smectites enhanced in the laboratory with additional ferric species exhibit important similarities to those of the soils on Mars. Ferrihydrite in these chemically treated smectites has features in the visible to near-infrared region that resemble the energies and band strengths of features in reflectance spectra observed for several bright regions on Mars. New samples have been prepared with sulfate as well, because S was found by Viking to be a major component in the surface material on Mars. A suite of ferrihydrite-bearing and ferric sulfate-bearing montmorillonites, prepared with variable Fe3+ and S concentrations and variable pH conditions, has been analyzed using reflectance spectroscopy in the visible and infrared regions, Mossbauer spectroscopy at room temperature and 4 K, differential thermal analysis, and X-ray diffraction. These analyses support the formation of ferrihydrite of variable crystallinity in the ferrihydrite-bearing montmorillonites and a combination of schwertmannite and ferrihydrite in the ferric sulfate-bearing montmorillonites. Small quantities of poorly crystalline or nanophase forms of other ferric materials may also be present in these samples. The chemical formation conditions of the ferrihydrite-bearing and ferric sulfate-bearing montmorillonites influence the character of the low temperature Mossbauer sextets and the visible reflectance spectra. An absorption minimum is observed at 0.88-0.89 micrometers in spectra of the ferric sulfate-bearing samples, and at 0.89-0.92 micrometers in spectra of the ferrihydrate-bearing montmorillonites. Mossbauer spectra of the ferric sulfate-bearing montmorillonites indicate variable concentrations of ferrihydrite and schwertmannite in the interlaminar spaces and along grain surfaces. Dehydration under reduced atmospheric pressure conditions induces a greater effect on the adsorbed and interlayer water in ferrihydrite-bearing montmorillonite than on the water

Application of infrared spectroscopy in the identification of Ewing sarcoma: A preliminary report

NASA Astrophysics Data System (ADS)

Chaber, Radosław; Łach, Kornelia; Szmuc, Kamil; Michalak, Elżbieta; Raciborska, Anna; Mazur, Damian; Machaczka, Maciej; Cebulski, Józef

2017-06-01

Fourier transform infrared (FTIR) spectroscopy is a highly sensitive, non-invasive analytical technique that can provide information about molecular changes in a biological sample. FTIR spectrum is a sum of the frequencies of many biomolecules which reveals a biochemical fingerprint for mineral identification, and can be analyzed for information about the mineral structure of malignant cells. This gives us the potential to differentiate tumor cells from normal cells in the early stage of relapse, before the tumor cells would be detectable in light microscopy. Ewing sarcoma (ES) is the second most common malignant bone tumor found in children and adolescents. ES affects annually almost 3 persons/1,000,000 mostly children and young adults under 20 years of age annually. ES originates from primitive, low-differentiated neuroectodermal cells. The current standard of therapy for ES is the surgical resection of the primary tumor and metastasis in combination with the chemo- and radiotherapy. The aim of this study was to compare the spectra of ES bone samples and the spectra of normal bone tissues, analyzed before and after induction chemotherapy, by means of FTIR spectroscopy. Six patients with ES affecting bones aged 5.5-16.5 years (median age 11.2 years), who were treated between 2011 and 2015, were included to the study. In all analyzed patients, the diagnosis of ES and the assessment of response to the chemotherapy were performed according to the Euro-EWING-2008 protocol. The Fourier transform infrared spectroscope (FT-IR; Vertex 70v from Bruker) was used in this study. Tissue specimens were applied to the attenuated total reflection (ATR) in the infrared (IR) radiation from the mid-infrared range using a single-reflection snap ATR crystal diamond. In the FTIR spectra we observed a shift in the wave number of the phosphate ion (from 3 to 26 [cm-1]) associated with the presence of tumor tissue. After chemotherapy, a change of the FTIR spectrum was associated with the

Photothermoelastic contrast in nanoscale infrared spectroscopy

NASA Astrophysics Data System (ADS)

Morozovska, Anna N.; Eliseev, Eugene A.; Borodinov, Nikolay; Ovchinnikova, Olga S.; Morozovsky, Nicholas V.; Kalinin, Sergei V.

2018-01-01

The contrast formation mechanism in nanoscale Infrared (IR) Spectroscopy is analyzed. The temperature distribution and elastic displacement across the illuminated T-shape boundary between two materials with different IR-radiation absorption coefficients and thermo-physical and elastic properties located on a rigid substrate are calculated self-consistently for different frequencies f ˜ (1 kHz-1 MHz) of IR-radiation modulation (fully coupled problem). Analytical expressions for the temperature and displacement profiles across the "thermo-elastic step" are derived in the decoupling approximation for f = 0 ("static limit"), and conditions for approximation validity at low frequencies of IR-modulation are established. The step height was found to be thickness-independent for thick layers and proportional to the square of the thickness for very thin films. The theoretical results will be of potential interest for applications in the scanning thermo-ionic and thermal infrared microscopies for relatively long sample thermalization times and possibly for photothermal induced resonance microscopy using optomechanical probes.

Developing visible and near-infrared reflectance spectroscopy to detect changes of the dermal collagen concentration

NASA Astrophysics Data System (ADS)

Wang, Chiao-Yi; Liao, Andy Ying Chi; Sung, Kung Bin

2018-02-01

Collagen provides skin structure integrity and its concentration is related to the severity of scars. The objective of this study is to develop a hand-held and relatively inexpensive system to detect changes of the dermal collagen concentration in vivo. Diffuse reflectance spectroscopy and two-layer diffusion model have often been used to quantify the collagen concentration and other optical properties of the skin. However, the influences of fat and muscle, which are just below the dermis, have not been thoroughly investigated. We applied Monte Carlo simulations to find source-detector separations most sensitive to changes in collagen absorption and identify four wavelengths between 650 nm and 1000 nm suitable for separating influences of other chromophores including melanin, oxyhemoglobin and deoxyhemoglobin. Our tissue model consisted of at least three layers including the epidermis, dermis and subcutaneous fat with an optional forth layer representing the muscle. Results showed that the reflectance of the three-layered tissue model differed significantly from that of the two-layered tissue model, and the additional muscle layer might also influence the reflectance depending on the thickness of the fat layer. In addition, whether scattering coefficients of the epidermis and dermis were the same significantly affected the reflectance. Differences in reflectance due to changes in the collagen concentration were distinct from those due to changes in scattering coefficients and other chromophores. Further in-vivo experiments are ongoing to to validate the proposed approach.

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

NASA Astrophysics Data System (ADS)

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

2010-09-01

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

Infrared absorption study of neutron-transmutation-doped germanium

NASA Technical Reports Server (NTRS)

Park, I. S.; Haller, E. E.

1988-01-01

Using high-resolution far-infrared Fourier transform absorption spectroscopy and Hall effect measurements, the evolution of the shallow acceptor and donor impurity levels in germanium during and after the neutron transmutation doping process was studied. The results show unambiguously that the gallium acceptor level concentration equals the concentration of transmutated Ge-70 atoms during the whole process indicating that neither recoil during transmutation nor gallium-defect complex formation play significant roles. The arsenic donor levels appear at full concentration only after annealing for 1 h at 450 C. It is shown that this is due to donor-radiation-defect complex formation. Again, recoil does not play a significant role.

Near-infrared incoherent broadband cavity enhanced absorption spectroscopy (NIR-IBBCEAS) for detection and quantification of natural gas components.

PubMed

Prakash, Neeraj; Ramachandran, Arun; Varma, Ravi; Chen, Jun; Mazzoleni, Claudio; Du, Ke

2018-06-28

The principle of near-infrared incoherent broadband cavity enhanced absorption spectroscopy was employed to develop a novel instrument for detecting natural gas leaks as well as for testing the quality of natural gas mixtures. The instrument utilizes the absorption features of methane, butane, ethane, and propane in the wavelength region of 1100 nm to 1250 nm. The absorption cross-section spectrum in this region for methane was adopted from the HITRAN database, and those for the other three gases were measured in the laboratory. A singular-value decomposition (SVD) based analysis scheme was employed for quantifying methane, butane, ethane, and propane by performing a linear least-square fit. The developed instrument achieved a detection limit of 460 ppm, 141 ppm, 175 ppm and 173 ppm for methane, butane, ethane, and propane, respectively, with a measurement time of 1 second and a cavity length of 0.59 m. These detection limits are less than 1% of the Lower Explosive Limit (LEL) for each gas. The sensitivity can be further enhanced by changing the experimental parameters (such as cavity length, lamp power etc.) and using longer averaging intervals. The detection system is a low-cost and portable instrument suitable for performing field monitorings. The results obtained on the gas mixture emphasize the instrument's potential for deployment at industrial facilities dealing with natural gas, where potential leaks pose a threat to public safety.

A prototype stationary Fourier transform spectrometer for near-infrared absorption spectroscopy.

PubMed

Li, Jinyang; Lu, Dan-feng; Qi, Zhi-mei

2015-09-01

A prototype stationary Fourier transform spectrometer (FTS) was constructed with a fiber-coupled lithium niobate (LiNbO3) waveguide Mach-Zehnder interferometer (MZI) for the purpose of rapid on-site spectroscopy of biological and chemical measurands. The MZI contains push-pull electrodes for electro-optic modulation, and its interferogram as a plot of intensity against voltage was obtained by scanning the modulating voltage from -60 to +60 V in 50 ms. The power spectrum of input signal was retrieved by Fourier transform processing of the interferogram combined with the wavelength dispersion of half-wave voltage determined for the MZI used. The prototype FTS operates in the single-mode wavelength range from 1200 to 1700 nm and allows for reproducible spectroscopy. A linear concentration dependence of the absorbance at λmax = 1451 nm for water in ethanolic solution was obtained using the prototype FTS. The near-infrared spectroscopy of solid samples was also implemented, and the different spectra obtained with different materials evidenced the chemical recognition capability of the prototype FTS. To make this prototype FTS practically applicable, work on improving its spectral resolution by increasing the maximum optical path length difference is in progress.

Infrared reflectance spectra: Effects of particle size, provenance and preparation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Su, Yin-Fong; Myers, Tanya L.; Brauer, Carolyn S.

2014-09-22

We have recently developed methods for making more accurate infrared total and diffuse directional - hemispherical reflectance measurements using an integrating sphere. We have found that reflectance spectra of solids, especially powders, are influenced by a number of factors including the sample preparation method, the particle size and morphology, as well as the sample origin. On a quantitative basis we have investigated some of these parameters and the effects they have on reflectance spectra, particularly in the longwave infrared. In the IR the spectral features may be observed as either maxima or minima: In general, upward-going peaks in the reflectancemore » spectrum result from strong surface scattering, i.e. rays that are reflected from the surface without bulk penetration, whereas downward-going peaks are due to either absorption or volume scattering, i.e. rays that have penetrated or refracted into the sample interior and are not reflected. The light signals reflected from solids usually encompass all such effects, but with strong dependencies on particle size and preparation. This paper measures the reflectance spectra in the 1.3 – 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to observe the effects on the spectral features: Bulk materials were ground with a mortar and pestle and sieved to separate the samples into various size fractions between 5 and 500 microns. The median particle size is demonstrated to have large effects on the reflectance spectra. For certain minerals we also observe significant spectral change depending on the geologic origin of the sample. All three such effects (particle size, preparation and provenance) result in substantial change in the reflectance spectra for solid materials; successful identification algorithms will require sufficient flexibility to account for these parameters.« less

Specular reflectance of optical-black coatings in the far infrared

NASA Technical Reports Server (NTRS)

Smith, S. M.

1984-01-01

Far-infrared specular reflectance spectra of seven optically black coatings near normal incidence are presented. Seven photometric spectra were obtained using eleven bandpass transmission filters in the wavelength range between 12 and 500 microns, and three interferometric spectra were obtained for corroboration. Data on the construction, thickness, and rms surface roughness of the coatings are also presented. The chemical composition of three coatings can be distinguished from that of the others by a strong absorption feature between 20 and 40 microns, which can be largely attributed to amorphous silicate material. At 100 microns, the most and least reflective coatings differ by nearly 3 orders of magnitude. Inverse relationships observed between the spectra and the roughness and thickness of the coatings led to development of a reflecting-layer model for the measured reflectance. The model successfully describes the spectra at wavelengths outside the silicate absorption, and optical constants are deduced from a nonlinear least squares fit to the data. Parametric errors are estimated by chi-square analysis, and sensitivity tests are performed to determine which parameters control reflectance in different spectral regions.

Use of photoacoustic mid-infrared spectroscopy to characterize soil properties and soil organic matter stability

NASA Astrophysics Data System (ADS)

Peltre, Clement; Bruun, Sander; Du, Changwen; Stoumann Jensen, Lars

2014-05-01

The persistence of soil organic matter (SOM) is recognized as a major ecosystem property due to its key role in earth carbon cycling, soil quality and ecosystem services. SOM stability is typically studied using biological methods such as measuring CO2-C evolution from microbial decomposition of SOM during laboratory incubation or by physical or chemical fractionation methods, allowing the separation of a labile fraction of SOM. However these methods are time consuming and there is still a need for developing reliable techniques to characterize SOM stability, providing both quantitative measurements and qualitative information, in order to improve our understanding of the mechanisms controlling SOM persistence. Several spectroscopic techniques have been used to characterize and predict SOM stability, such as near infrared reflectance spectroscopy (NIRS) and diffuse reflectance mid-infrared spectroscopy (DRIFT). The latter allows a proper identification of spectral regions corresponding to vibrations of specific molecular or functional groups associated with SOM lability. However, reflectance spectroscopy for soil analyses raises some difficulties related to the low reflectance of soils, and to the high influence of particle size. In the last three decades, the progresses in microphone sensitivity dramatically increased the performance of photoacoustic Fourier transform mid-infrared spectroscopy (FTIR-PAS). This technique offers benefits over reflectance spectroscopy techniques, because particle size and the level of sample reflectance have little effect of on the PAS signal, since FTIR-PAS is a direct absorption technique. Despite its high potential for soil analysis, only a limited number of studies have so far applied FTIR-PAS for soil characterization and its potential for determining SOM degradability still needs to be investigated. The objective of this study was to assess the potential of FTIR-PAS for the characterization of SOM decomposability during

Applicability of a Diffuse Reflectance Infrared Fourier Transform handheld spectrometer to perform in situ analyses on Cultural Heritage materials

NASA Astrophysics Data System (ADS)

Arrizabalaga, Iker; Gómez-Laserna, Olivia; Aramendia, Julene; Arana, Gorka; Madariaga, Juan Manuel

2014-08-01

This work studies the applicability of a Diffuse Reflectance Infrared Fourier Transform handheld device to perform in situ analyses on Cultural Heritage assets. This portable diffuse reflectance spectrometer has been used to characterise and diagnose the conservation state of (a) building materials of the Guevara Palace (15th century, Segura, Basque Country, Spain) and (b) different 19th century wallpapers manufactured by the Santa Isabel factory (Vitoria-Gasteiz, Basque Country, Spain) and by the well known Dufour and Leroy manufacturers (Paris, France), all of them belonging to the Torre de los Varona Castle (Villanañe, Basque Country, Spain). In all cases, in situ measurements were carried out and also a few samples were collected and measured in the laboratory by diffuse reflectance spectroscopy (DRIFT) in order to validate the information obtained by the handheld instrument. In the analyses performed in situ, distortions in the diffuse reflectance spectra can be observed due to the presence of specular reflection, showing the inverted bands caused by the Reststrahlen effect, in particular on those IR bands with the highest absorption coefficients. This paper concludes that the results obtained in situ by a diffuse reflectance handheld device are comparable to those obtained with laboratory diffuse reflectance spectroscopy equipment and proposes a few guidelines to acquire good spectra in the field, minimising the influence caused by the specular reflection.

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

PubMed

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

2018-04-01

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

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

NASA Astrophysics Data System (ADS)

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

2013-04-01

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

Fast determination of total ginsenosides content in ginseng powder by near infrared reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Chen, Hua-cai; Chen, Xing-dan; Lu, Yong-jun; Cao, Zhi-qiang

2006-01-01

Near infrared (NIR) reflectance spectroscopy was used to develop a fast determination method for total ginsenosides in Ginseng (Panax Ginseng) powder. The spectra were analyzed with multiplicative signal correction (MSC) correlation method. The best correlative spectra region with the total ginsenosides content was 1660 nm~1880 nm and 2230nm~2380 nm. The NIR calibration models of ginsenosides were built with multiple linear regression (MLR), principle component regression (PCR) and partial least squares (PLS) regression respectively. The results showed that the calibration model built with PLS combined with MSC and the optimal spectrum region was the best one. The correlation coefficient and the root mean square error of correction validation (RMSEC) of the best calibration model were 0.98 and 0.15% respectively. The optimal spectrum region for calibration was 1204nm~2014nm. The result suggested that using NIR to rapidly determinate the total ginsenosides content in ginseng powder were feasible.

Minimally invasive screening for colitis using attenuated total internal reflectance Fourier transform infrared spectroscopy

PubMed Central

Titus, Jitto; Viennois, Emilie; Merlin, Didier; Perera, A. G. Unil

2016-01-01

This article describes a rapid, simple and cost-effective technique that could lead to a screening method for colitis without the need for biopsies or in vivo measurements. This screening technique includes the testing of serum using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy for the colitis-induced increased presence of mannose. Chronic (Interleukin 10 knockout) and acute (Dextran Sodium Sulphate-induced) models for colitis are tested using the ATR-FTIR technique. Arthritis (Collagen Antibody Induced Arthritis) and metabolic syndrome (Toll like receptor 5 knockout) models are also tested as controls. The marker identified as mannose uniquely screens and distinguishes the colitic from the non-colitic samples and the controls. The reference or the baseline spectrum could be the pooled and averaged spectra of non-colitic samples or the subject's previous sample spectrum. This shows the potential of having individualized route maps of disease status, leading to personalized diagnosis and drug management. PMID:27094092

Jet-cooled infrared absorption spectrum of the v4 fundamental band of HCOOH and HCOOD

NASA Astrophysics Data System (ADS)

Luo, Wei; Zhang, Yulan; Li, Wenguang; Duan, Chuanxi

2017-04-01

The jet-cooled absorption spectrum of the v4 fundamental band of normal formic acid (HCOOH) and deuterated formic acid (HCOOD) was recorded in the frequency range of 1370-1392 cm-1 with distributed-feedback quantum cascade lasers (DFB-QCLs) as the tunable infrared radiations. A segmented rapid-scan data acquisition scheme was developed for pulsed supersonic jet infrared laser absorption spectroscopy based on DFB-QCLs with a moderate vacuum pumping capacity. The unperturbed band-origin and rotational constants in the excited vibrational state were determined for both HCOOH and HCOOD. The unperturbed band-origin locates at 1379.05447(11) cm-1 for HCOOH, and 1366.48430(39) cm-1 for HCOOD, respectively.

Measurement of sugar content of watermelon using near-infrared reflectance spectroscopy in comparison with dielectric property

NASA Astrophysics Data System (ADS)

Tao, Xuemei; Bao, Yidan

2006-09-01

The sugar content of watermelon is important to its taste thus influences the market. It's difficult to know whether the melon is sweet or not for consumers. We tried to develop a convenient meter to determine the sugar of watermelon. The first objective of this paper was to demonstrate the feasibility of using a near-infrared reflectance spectrometer (NIRS) to investigate the relationship between sugar content of watermelon and absorption spectra. The NIRS reflectance of nondestructive watermelon was measured with a Visible/NIR spectrophotometer in 325-1075nm range. The sugar content of watermelon was obtained with a handhold sugar content meter. The second objective was to measure the watermelon's dielectric property, such as dielectric resistance, capacitance, quality factor and dielectric loss. A digital electric bridge instrument was used to get the dielectric property. The experimental results show that they were related to watermelon's sugar content. A comparison between the two methods was made in the paper. The model derived from NIRS reflection is useful for class identification of Zaochun Hongyu watermelon though it's not quite accurate in sweetness prediction (the max. deviation is 0.7). Electric property bears little relation to sugar content of watermelon at this experiment and it couldn't be used as non-destructive inspection method.

Organic/Inorganic Hybrid Nanocomposite Infrared Photodetection by Intraband Absorption

NASA Astrophysics Data System (ADS)

Lantz, Kevin Richard

Se CQDs embedded in the conjugated polymer poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-(1-cyanovinylene)phenylene] (MEH-CN-PPV). Photoluminescence (PL) spectroscopy of MEH-CN-PPV thin films was conducted to determine the dependence of polymer morphology on deposition method in order to identify a reliable device fabrication technique. Three different deposition methods were investigated: drop-casting and spin-casting, which are solution-based; and matrix-assisted pulsed laser evaporation (MAPLE), which is a vacuum-based method that gently evaporates polymers (or hybrid nanocomposites) and limits substrate exposure to solvents. It was found that MAPLE deposition provides repeatable control of the thin film morphology and thickness, which is important for nanocomposite device optimization. Ultra-fast PL spectroscopy of MEH-CN-PPV/CdSe thin films was investigated to determine the charge generation and relaxation dynamics in the hybrid nanocomposite thin films. The mathematical fitting of time-integrated and time-resolved PL provided a rigorous and unique model of the charge dynamics, which enabled calculation of the radiative and non-radiative decay lifetimes in the polymer and CQD. These results imply that long-lived electrons exist in the conduction band of the CQD, which demonstrate that it should be possible to generate a mid- to long-wave infrared photocurrent based on intraband transitions. In fact, room-temperature, intraband, mid-infrared absorption was measured in thin films of MEH-CN-PPV/CdSe hybrid nanocomposites by Fourier transform infrared (FTIR) absorbance spectroscopy. In addition, the hybrid nanocomposite confined energy levels and corresponding oscillator strengths were calculated in order to model the absorption spectrum. The calculated absorption peaks agree well with the measured peaks, demonstrating that the developed computer model provides a useful design tool for determining the impact of important materials system properties, such as CQD size, organic

AFM-IR: Technology and Applications in Nanoscale Infrared Spectroscopy and Chemical Imaging.

PubMed

Dazzi, Alexandre; Prater, Craig B

2016-12-13

Atomic force microscopy-based infrared spectroscopy (AFM-IR) is a rapidly emerging technique that provides chemical analysis and compositional mapping with spatial resolution far below conventional optical diffraction limits. AFM-IR works by using the tip of an AFM probe to locally detect thermal expansion in a sample resulting from absorption of infrared radiation. AFM-IR thus can provide the spatial resolution of AFM in combination with the chemical analysis and compositional imaging capabilities of infrared spectroscopy. This article briefly reviews the development and underlying technology of AFM-IR, including recent advances, and then surveys a wide range of applications and investigations using AFM-IR. AFM-IR applications that will be discussed include those in polymers, life sciences, photonics, solar cells, semiconductors, pharmaceuticals, and cultural heritage. In the Supporting Information , the authors provide a theoretical section that reviews the physics underlying the AFM-IR measurement and detection mechanisms.

Single-ended retroreflection sensors for absorption spectroscopy in high-temperature environments

NASA Astrophysics Data System (ADS)

Melin, Scott T.; Wang, Ze; Neal, Nicholas J.; Rothamer, David A.; Sanders, Scott T.

2017-04-01

Novel single-ended sensor arrangements are demonstrated for in situ absorption spectroscopy in combustion and related test articles. A single-ended optical access technique based on back-reflection from a polished test article surface is presented. H2O vapor absorption spectra were measured at 10 kHz in a homogeneous-charge compression-ignition engine using a sensor of this design collecting back-reflection from a polished piston surface. The measured spectra show promise for high-repetition-rate measurements in practical combustion devices. A second sensor was demonstrated based on a modification to this optical access technique. The sensor incorporates a nickel retroreflective surface as back-reflector to reduce sensitivity to beam steering and misalignment. In a propane-fired furnace, H2O vapor absorption spectra were obtained over the range 7315-7550 cm- 1 at atmospheric pressure and temperatures up to 775 K at 20 Hz using an external-cavity diode laser spectrometer. Gas properties of temperature and mole fraction were obtained from this furnace data using a band-shape spectral fitting technique. The temperature accuracy of the band-shape fitting was demonstrated to be ±1.3 K for furnace measurements at atmospheric pressure. These results should extend the range of applications in which absorption spectroscopy sensors are attractive candidates.

Characterization and Application of a Grazing Angle Objective for Quantitative Infrared Reflection Microspectroscopy

NASA Technical Reports Server (NTRS)

Pepper, Stephen V.

1995-01-01

A grazing angle objective on an infrared microspectrometer is studied for quantitative spectroscopy by considering the angular dependence of the incident intensity within the objective's angular aperture. The assumption that there is no angular dependence is tested by comparing the experimental reflectance of Si and KBr surfaces with the reflectance calculated by integrating the Fresnel reflection coefficient over the angular aperture under this assumption. Good agreement was found, indicating that the specular reflectance of surfaces can straight-forwardly be quantitatively integrated over the angular aperture without considering non-uniform incident intensity. This quantitative approach is applied to the thickness determination of dipcoated Krytox on gold. The infrared optical constants of both materials are known, allowing the integration to be carried out. The thickness obtained is in fair agreement with the value determined by ellipsometry in the visible. Therefore, this paper illustrates a method for more quantitative use of a grazing angle objective for infrared reflectance microspectroscopy.

Discovery of the linear region of Near Infrared Diffuse Reflectance spectra using the Kubelka-Munk theory

NASA Astrophysics Data System (ADS)

Dai, Shengyun; Pan, Xiaoning; Ma, Lijuan; Huang, Xingguo; Du, Chenzhao; Qiao, Yanjiang; Wu, Zhisheng

2018-05-01

Particle size is of great importance for the quantitative model of the NIR diffuse reflectance. In this paper, the effect of sample particle size on the measurement of harpagoside in Radix Scrophulariae powder by near infrared diffuse (NIR) reflectance spectroscopy was explored. High-performance liquid chromatography (HPLC) was employed as a reference method to construct the quantitative particle size model. Several spectral preprocessing methods were compared, and particle size models obtained by different preprocessing methods for establishing the partial least-squares (PLS) models of harpagoside. Data showed that the particle size distribution of 125-150 μm for Radix Scrophulariae exhibited the best prediction ability with R2pre=0.9513, RMSEP=0.1029 mg·g-1, and RPD = 4.78. For the hybrid granularity calibration model, the particle size distribution of 90-180 μm exhibited the best prediction ability with R2pre=0.8919, RMSEP=0.1632 mg·g-1, and RPD = 3.09. Furthermore, the Kubelka-Munk theory was used to relate the absorption coefficient k (concentration-dependent) and scatter coefficient s (particle size-dependent). The scatter coefficient s was calculated based on the Kubelka-Munk theory to study the changes of s after being mathematically preprocessed. A linear relationship was observed between k/s and absorption A within a certain range and the value for k/s was greater than 4. According to this relationship, the model was more accurately constructed with the particle size distribution of 90-180 μm when s was kept constant or in a small linear region. This region provided a good reference for the linear modeling of diffuse reflectance spectroscopy. To establish a diffuse reflectance NIR model, further accurate assessment should be obtained in advance for a precise linear model.

Green method by diffuse reflectance infrared spectroscopy and spectral region selection for the quantification of sulphamethoxazole and trimethoprim in pharmaceutical formulations.

PubMed

da Silva, Fabiana E B; Flores, Érico M M; Parisotto, Graciele; Müller, Edson I; Ferrão, Marco F

2016-03-01

An alternative method for the quantification of sulphametoxazole (SMZ) and trimethoprim (TMP) using diffuse reflectance infrared Fourier-transform spectroscopy (DRIFTS) and partial least square regression (PLS) was developed. Interval Partial Least Square (iPLS) and Synergy Partial Least Square (siPLS) were applied to select a spectral range that provided the lowest prediction error in comparison to the full-spectrum model. Fifteen commercial tablet formulations and forty-nine synthetic samples were used. The ranges of concentration considered were 400 to 900 mg g-1SMZ and 80 to 240 mg g-1 TMP. Spectral data were recorded between 600 and 4000 cm-1 with a 4 cm-1 resolution by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS). The proposed procedure was compared to high performance liquid chromatography (HPLC). The results obtained from the root mean square error of prediction (RMSEP), during the validation of the models for samples of sulphamethoxazole (SMZ) and trimethoprim (TMP) using siPLS, demonstrate that this approach is a valid technique for use in quantitative analysis of pharmaceutical formulations. The selected interval algorithm allowed building regression models with minor errors when compared to the full spectrum PLS model. A RMSEP of 13.03 mg g-1for SMZ and 4.88 mg g-1 for TMP was obtained after the selection the best spectral regions by siPLS.

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. © 2014 American Academy of Forensic Sciences.

Application of near infrared spectroscopy (NIRS) to non-destructive internal quality inspection of tomatoes

NASA Astrophysics Data System (ADS)

Tao, Xuemei; He, Yong

2006-09-01

The internal quality of tomato such as acidity and sugar content is important to its taste thus influences the market. The objective of this paper was to demonstrate the feasibility of using a near-infrared spectroscopy (NIRS) to investigate the relationship between sugar content and acidity of tomato and absorption spectra. The N1RS reflectance of nondestructive tomatoes was measured with a Visible/NJR spectrophotometer in 325-1075 nm range. The sugar content and acidity of tomato were obtained with a handhold sugar content meter and a PH meter. The reflectance data set was recorded and analyzed with some mathematic methods. The PLS (Partial least squares) calibration method was developed for converting the NIRS reflectance of tomato into the data which determined the acidity value. BP (Back propagation) neural network was used to set up the relationship between the NIRS reflectance of tomato and sugar content. The acidity values were detected with an accuracy of 9O% and the sugar contents determined by the BP network were also very close to the measurements (coefficient of correlation r2=0.8764). NW spectra analysis would be very useful in the nondestructive internal quality inspecting of tomato.

Quantification of DNA in simple eukaryotic cells using Fourier transform infrared spectroscopy.

PubMed

Whelan, Donna R; Bambery, Keith R; Puskar, Ljiljana; McNaughton, Don; Wood, Bayden R

2013-10-01

A technique capable of detecting and monitoring nucleic acid concentration offers potential in diagnosing cancer and further developing an understanding of the biochemistry of disease. The application of Fourier transform infrared (FTIR) spectroscopy has previously been hindered by the supposed non-Beer-Lambert absorption behavior of DNA in intact cells making elucidation of the DNA bands difficult. We use known composition DNA/hemoglobin standards to successfully estimate the DNA content in avian erythrocyte nuclei (44.2%) and intact erythrocytes (12.8%). Furthermore we demonstrate that the absorption of cellular DNA does follow the Beer-Lambert Law and highlights the role of conformation and hydration in FTIR spectroscopy of biological samples. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Improving Optical Absorption Models for Harsh Planetary Atmospheres: Laboratory Spectroscopy at Venus Surface Conditions

NASA Astrophysics Data System (ADS)

Cole, Ryan Kenneth; Schroeder, Paul James; Diego Draper, Anthony; Rieker, Gregory Brian

2018-06-01

Modelling absorption spectra in high pressure, high temperature environments is complicated by the increased relevance of higher order collisional phenomena (e.g. line mixing, collision-induced absorption, finite duration of collisions) that alter the spectral lineshape. Accurate reference spectroscopy in these conditions is of interest for mineralogy and radiative transfer studies of Venus as well as other dense planetary atmospheres. We present a new, high pressure, high temperature absorption spectroscopy facility at the University of Colorado Boulder. This facility employs a dual frequency comb absorption spectrometer to record broadband (500nm), high resolution (~0.002nm) spectra in conditions comparable to the Venus surface (730K, 90bar). Measurements of the near-infrared spectrum of carbon dioxide at high pressure and temperature will be compared to modeled spectra extrapolated from the HITRAN 2016 database as well as other published models that include additional collisional physics. This comparison gives insight into the effectiveness of existing absorption databases for modeling the lower Venus atmosphere as well as the need to expand absorption models to suit these conditions.

In situ differential reflectance spectroscopy of thin crystalline films of PTCDA on different substrates

NASA Astrophysics Data System (ADS)

Proehl, Holger; Nitsche, Robert; Dienel, Thomas; Leo, Karl; Fritz, Torsten

2005-04-01

We report an investigation of the excitonic properties of thin crystalline films of the archetypal organic semiconductor PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) grown on poly- and single crystalline surfaces. A sensitive setup capable of measuring the optical properties of ultrathin organic molecular crystals via differential reflectance spectroscopy (DRS) is presented. This tool allows to carry out measurements in situ, i.e., during the actual film growth, and over a wide spectral range, even on single crystalline surfaces with high symmetry or metallic surfaces, where widely used techniques like reflection anisotropy spectroscopy (RAS) or fluorescence excitation spectroscopy fail. The spectra obtained by DRS resemble mainly the absorption of the films if transparent substrates are used, which simplifies the analysis. In the case of mono- to multilayer films of PTCDA on single crystalline muscovite mica(0001) and Au(111) substrates, the formation of the solid state absorption from monomer to dimer and further to crystal-like absorption spectra can be monitored.

Application of infrared reflection and Raman spectroscopy for quantitative determination of fat in potato chips

NASA Astrophysics Data System (ADS)

Mazurek, Sylwester; Szostak, Roman; Kita, Agnieszka

2016-12-01

Potato chips are important products in the snack industry. The most significant parameter monitored during their quality control process is fat content. The Soxhlet method, which is applied for this purpose, is time consuming and expensive. We demonstrate that both infrared and Raman spectroscopy can effectively replace the extraction method. Raman, mid-infrared (MIR) and near-infrared (NIR) spectra of the homogenised laboratory-prepared chips were recorded. On the basis of obtained spectra, partial least squares (PLS) calibration models were constructed. They were characterised by the values of relative standard errors of prediction (RSEP) in the 1.0-1.9% range for both calibration and validation data sets. Using the developed models, six commercial products were successfully quantified with recovery in the 98.5-102.3% range against the AOAC extraction method. The proposed method for fat quantification in potato chips based on Raman spectroscopy can be easily adopted for on-line product analysis.

Electrochemical and Infrared Absorption Spectroscopy Detection of SF6 Decomposition Products

PubMed Central

Dong, Ming; Ren, Ming; Ye, Rixin

2017-01-01

Sulfur hexafluoride (SF6) gas-insulated electrical equipment is widely used in high-voltage (HV) and extra-high-voltage (EHV) power systems. Partial discharge (PD) and local heating can occur in the electrical equipment because of insulation faults, which results in SF6 decomposition and ultimately generates several types of decomposition products. These SF6 decomposition products can be qualitatively and quantitatively detected with relevant detection methods, and such detection contributes to diagnosing the internal faults and evaluating the security risks of the equipment. At present, multiple detection methods exist for analyzing the SF6 decomposition products, and electrochemical sensing (ES) and infrared (IR) spectroscopy are well suited for application in online detection. In this study, the combination of ES with IR spectroscopy is used to detect SF6 gas decomposition. First, the characteristics of these two detection methods are studied, and the data analysis matrix is established. Then, a qualitative and quantitative analysis ES-IR model is established by adopting a two-step approach. A SF6 decomposition detector is designed and manufactured by combining an electrochemical sensor and IR spectroscopy technology. The detector is used to detect SF6 gas decomposition and is verified to reliably and accurately detect the gas components and concentrations. PMID:29140268

Rapid estimation of nutritional elements on citrus leaves by near infrared reflectance spectroscopy.

PubMed

Galvez-Sola, Luis; García-Sánchez, Francisco; Pérez-Pérez, Juan G; Gimeno, Vicente; Navarro, Josefa M; Moral, Raul; Martínez-Nicolás, Juan J; Nieves, Manuel

2015-01-01

Sufficient nutrient application is one of the most important factors in producing quality citrus fruits. One of the main guides in planning citrus fertilizer programs is by directly monitoring the plant nutrient content. However, this requires analysis of a large number of leaf samples using expensive and time-consuming chemical techniques. Over the last 5 years, it has been demonstrated that it is possible to quantitatively estimate certain nutritional elements in citrus leaves by using the spectral reflectance values, obtained by using near infrared reflectance spectroscopy (NIRS). This technique is rapid, non-destructive, cost-effective and environmentally friendly. Therefore, the estimation of macro and micronutrients in citrus leaves by this method would be beneficial in identifying the mineral status of the trees. However, to be used effectively NIRS must be evaluated against the standard techniques across different cultivars. In this study, NIRS spectral analysis, and subsequent nutrient estimations for N, K, Ca, Mg, B, Fe, Cu, Mn, and Zn concentration, were performed using 217 leaf samples from different citrus trees species. Partial least square regression and different pre-processing signal treatments were used to generate the best estimation against the current best practice techniques. It was verified a high proficiency in the estimation of N (Rv = 0.99) and Ca (Rv = 0.98) as well as achieving acceptable estimation for K, Mg, Fe, and Zn. However, no successful calibrations were obtained for the estimation of B, Cu, and Mn.

Rapid estimation of nutritional elements on citrus leaves by near infrared reflectance spectroscopy

PubMed Central

Galvez-Sola, Luis; García-Sánchez, Francisco; Pérez-Pérez, Juan G.; Gimeno, Vicente; Navarro, Josefa M.; Moral, Raul; Martínez-Nicolás, Juan J.; Nieves, Manuel

2015-01-01

Sufficient nutrient application is one of the most important factors in producing quality citrus fruits. One of the main guides in planning citrus fertilizer programs is by directly monitoring the plant nutrient content. However, this requires analysis of a large number of leaf samples using expensive and time-consuming chemical techniques. Over the last 5 years, it has been demonstrated that it is possible to quantitatively estimate certain nutritional elements in citrus leaves by using the spectral reflectance values, obtained by using near infrared reflectance spectroscopy (NIRS). This technique is rapid, non-destructive, cost-effective and environmentally friendly. Therefore, the estimation of macro and micronutrients in citrus leaves by this method would be beneficial in identifying the mineral status of the trees. However, to be used effectively NIRS must be evaluated against the standard techniques across different cultivars. In this study, NIRS spectral analysis, and subsequent nutrient estimations for N, K, Ca, Mg, B, Fe, Cu, Mn, and Zn concentration, were performed using 217 leaf samples from different citrus trees species. Partial least square regression and different pre-processing signal treatments were used to generate the best estimation against the current best practice techniques. It was verified a high proficiency in the estimation of N (Rv = 0.99) and Ca (Rv = 0.98) as well as achieving acceptable estimation for K, Mg, Fe, and Zn. However, no successful calibrations were obtained for the estimation of B, Cu, and Mn. PMID:26257767

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

USDA-ARS?s Scientific Manuscript database

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-...

[Applications of near-infrared spectroscopy to analysis of traditional Chinese herbal medicine].

PubMed

Li, Yan-Zhou; Min, Shun-Geng; Liu, Xia

2008-07-01

Analysis of traditional Chinese herbal medicine is of great importance to its quality control Conventional analysis methods can not meet the requirement of rapid and on-line analysis because of complex process more experiences or needed. In recent years, near-infrared spectroscopy technique has been used for rapid determination of active components, on-line quality control, identification of counterfeit and discrimination of geographical origins of herbal medicines and so on, due to its advantages of simple pretreatment, high efficiency, convenience to use solid diffuse reflection spectroscopy and fiber. In the present paper, the principles and methods of near-infrared spectroscopy technique are introduced concisely. Especially, the applications of this technique in quantitative analysis and qualitative analysis of traditional Chinese herbal medicine are reviewed.

Investigation of Diode Pumped Alkali Laser Atmospheric Transmission Using Tunable Diode Laser Absorption Spectroscopy

DTIC Science & Technology

2012-09-01

atmosphere”. Applied Physics B: Lasers and Optics, 82(1):133–140, 2006. 11. Barrass, S., Y. Grard, R.J. Holdsworth, and P.A. Martin . “Near-infrared tun...15. Brown, M. S., S. Williams, C. D. Lindstrom , and D. L. Barone. Progress in Applying Tunable Diode Laser Absorption Spectroscopy to Scramjet

Determination of main components and anaerobic rumen digestibility of aquatic plants in vitro using near-infrared-reflectance spectroscopy.

PubMed

Yue, Zheng-Bo; Zhang, Meng-Lin; Sheng, Guo-Ping; Liu, Rong-Hua; Long, Ying; Xiang, Bing-Ren; Wang, Jin; Yu, Han-Qing

2010-04-01

A near-infrared-reflectance (NIR) spectroscopy-based method is established to determine the main components of aquatic plants as well as their anaerobic rumen biodegradability. The developed method is more rapid and accurate compared to the conventional chemical analysis and biodegradability tests. Moisture, volatile solid, Klason lignin and ash in entire aquatic plants could be accurately predicted using this method with coefficient of determination (r(2)) values of 0.952, 0.916, 0.939 and 0.950, respectively. In addition, the anaerobic rumen biodegradability of aquatic plants, represented as biogas and methane yields, could also be predicted well. The algorithm of continuous wavelet transform for the NIR spectral data pretreatment is able to greatly enhance the robustness and predictive ability of the NIR spectral analysis. These results indicate that NIR spectroscopy could be used to predict the main components of aquatic plants and their anaerobic biodegradability. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

Light distribution modulated diffuse reflectance spectroscopy.

PubMed

Huang, Pin-Yuan; Chien, Chun-Yu; Sheu, Chia-Rong; Chen, Yu-Wen; Tseng, Sheng-Hao

2016-06-01

Typically, a diffuse reflectance spectroscopy (DRS) system employing a continuous wave light source would need to acquire diffuse reflectances measured at multiple source-detector separations for determining the absorption and reduced scattering coefficients of turbid samples. This results in a multi-fiber probe structure and an indefinite probing depth. Here we present a novel DRS method that can utilize a few diffuse reflectances measured at one source-detector separation for recovering the optical properties of samples. The core of innovation is a liquid crystal (LC) cell whose scattering property can be modulated by the bias voltage. By placing the LC cell between the light source and the sample, the spatial distribution of light in the sample can be varied as the scattering property of the LC cell modulated by the bias voltage, and this would induce intensity variation of the collected diffuse reflectance. From a series of Monte Carlo simulations and phantom measurements, we found that this new light distribution modulated DRS (LDM DRS) system was capable of accurately recover the absorption and scattering coefficients of turbid samples and its probing depth only varied by less than 3% over the full bias voltage variation range. Our results suggest that this LDM DRS platform could be developed to various low-cost, efficient, and compact systems for in-vivo superficial tissue investigation.

Light distribution modulated diffuse reflectance spectroscopy

PubMed Central

Huang, Pin-Yuan; Chien, Chun-Yu; Sheu, Chia-Rong; Chen, Yu-Wen; Tseng, Sheng-Hao

2016-01-01

Typically, a diffuse reflectance spectroscopy (DRS) system employing a continuous wave light source would need to acquire diffuse reflectances measured at multiple source-detector separations for determining the absorption and reduced scattering coefficients of turbid samples. This results in a multi-fiber probe structure and an indefinite probing depth. Here we present a novel DRS method that can utilize a few diffuse reflectances measured at one source-detector separation for recovering the optical properties of samples. The core of innovation is a liquid crystal (LC) cell whose scattering property can be modulated by the bias voltage. By placing the LC cell between the light source and the sample, the spatial distribution of light in the sample can be varied as the scattering property of the LC cell modulated by the bias voltage, and this would induce intensity variation of the collected diffuse reflectance. From a series of Monte Carlo simulations and phantom measurements, we found that this new light distribution modulated DRS (LDM DRS) system was capable of accurately recover the absorption and scattering coefficients of turbid samples and its probing depth only varied by less than 3% over the full bias voltage variation range. Our results suggest that this LDM DRS platform could be developed to various low-cost, efficient, and compact systems for in-vivo superficial tissue investigation. PMID:27375931

Autofluorescence and diffuse reflectance patterns in cervical spectroscopy

NASA Astrophysics Data System (ADS)

Marin, Nena Maribel

Fluorescence and diffuse reflectance spectroscopy are two new optical technologies, which have shown promise to aid in the real time, non-invasive identification of cancers and precancers. Spectral patterns carry a fingerprint of scattering, absorption and fluorescence properties in tissue. Scattering, absorption and fluorescence in tissue are directly affected by biological features that are diagnostically significant, such as nuclear size, micro-vessel density, volume fraction of collagen fibers, tissue oxygenation and cell metabolism. Thus, analysis of spectral patterns can unlock a wealth of information directly related with the onset and progression of disease. Data from a Phase II clinical trial to assess the technical efficacy of fluorescence and diffuse reflectance spectroscopy acquired from 850 women at three clinical locations with two research grade optical devices is calibrated and analyzed. Tools to process and standardize spectra so that data from multiple spectrometers can be combined and analyzed are presented. Methodologies for calibration and quality assurance of optical systems are established to simplify design issues and ensure validity of data for future clinical trials. Empirically based algorithms, using multivariate statistical approaches are applied to spectra and evaluated as a clinical diagnostic tool. Physically based algorithms, using mathematical models of light propagation in tissue are presented. The presented mathematical model combines a diffusion theory in P3 approximation reflectance model and a 2-layer fluorescence model using exponential attenuation and diffusion theory. The resulting adjoint fluorescence and reflectance model extracts twelve optical properties characterizing fluorescence efficiency of cervical epithelium and stroma fluorophores, stromal hemoglobin and collagen absorption, oxygen saturation, and stromal scattering strength and shape. Validations with Monte Carlo simulations show that adjoint model extracted

Durable silver mirror with ultra-violet thru far infra-red reflection

DOEpatents

Wolfe, Jesse D.

2010-11-23

A durable highly reflective silver mirror characterized by high reflectance in a broad spectral range of about 300 nm in the UV to the far infrared (.about.10000 nm), as well as exceptional environmental durability. A high absorptivity metal underlayer is used which prevents the formation of a galvanic cell with a silver layer while increasing the reflectance of the silver layer. Environmentally durable overcoat layers are provided to enhance mechanical and chemical durability and protect the silver layer from corrosion and tarnishing, for use in a wide variety of surroundings or climates, including harsh or extreme environments.

A low cost, simple, portable instrument for the measurement of infra-red reflectance of paints

NASA Astrophysics Data System (ADS)

Marson, F.

1982-05-01

The construction and design of a low cost, simple, portable infra-red reflectometer which can be used to estimate the reflectance of paint films in the 800 nm region is described. The infra-red reflectances of a range of lustreless, semigloss and gloss olive drab camouflage paints determined using this instrument are compared to those obtained using modified commercial equipment and to the reflectances measured at 800 nm using a Cary model 17 spectrophotometer. The new reflectometer was shown to be superior to the modified commercial instrument currently specified in Australian government paint specifications and to be capable of estimating the reflectance of olive drab paints to within about one per cent of the Cary derived reflectance values. The reflectance values for a range of 24 experimental coatings made with pigments of varying absorption in the infra-red region are used to illustrate the effect of the instrument's spectral response and the necessity of establishing a reliable working standard.

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

PubMed

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

2015-06-22

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

Identification of fungal phytopathogens using Fourier transform infrared-attenuated total reflection spectroscopy and advanced statistical methods

NASA Astrophysics Data System (ADS)

Salman, Ahmad; Lapidot, Itshak; Pomerantz, Ami; Tsror, Leah; Shufan, Elad; Moreh, Raymond; Mordechai, Shaul; Huleihel, Mahmoud

2012-01-01

The early diagnosis of phytopathogens is of a great importance; it could save large economical losses due to crops damaged by fungal diseases, and prevent unnecessary soil fumigation or the use of fungicides and bactericides and thus prevent considerable environmental pollution. In this study, 18 isolates of three different fungi genera were investigated; six isolates of Colletotrichum coccodes, six isolates of Verticillium dahliae and six isolates of Fusarium oxysporum. Our main goal was to differentiate these fungi samples on the level of isolates, based on their infrared absorption spectra obtained using the Fourier transform infrared-attenuated total reflection (FTIR-ATR) sampling technique. Advanced statistical and mathematical methods: principal component analysis (PCA), linear discriminant analysis (LDA), and k-means were applied to the spectra after manipulation. Our results showed significant spectral differences between the various fungi genera examined. The use of k-means enabled classification between the genera with a 94.5% accuracy, whereas the use of PCA [3 principal components (PCs)] and LDA has achieved a 99.7% success rate. However, on the level of isolates, the best differentiation results were obtained using PCA (9 PCs) and LDA for the lower wavenumber region (800-1775 cm-1), with identification success rates of 87%, 85.5%, and 94.5% for Colletotrichum, Fusarium, and Verticillium strains, respectively.

Applicability of a Diffuse Reflectance Infrared Fourier Transform handheld spectrometer to perform in situ analyses on Cultural Heritage materials.

PubMed

Arrizabalaga, Iker; Gómez-Laserna, Olivia; Aramendia, Julene; Arana, Gorka; Madariaga, Juan Manuel

2014-08-14

This work studies the applicability of a Diffuse Reflectance Infrared Fourier Transform handheld device to perform in situ analyses on Cultural Heritage assets. This portable diffuse reflectance spectrometer has been used to characterise and diagnose the conservation state of (a) building materials of the Guevara Palace (15th century, Segura, Basque Country, Spain) and (b) different 19th century wallpapers manufactured by the Santa Isabel factory (Vitoria-Gasteiz, Basque Country, Spain) and by the well known Dufour and Leroy manufacturers (Paris, France), all of them belonging to the Torre de los Varona Castle (Villanañe, Basque Country, Spain). In all cases, in situ measurements were carried out and also a few samples were collected and measured in the laboratory by diffuse reflectance spectroscopy (DRIFT) in order to validate the information obtained by the handheld instrument. In the analyses performed in situ, distortions in the diffuse reflectance spectra can be observed due to the presence of specular reflection, showing the inverted bands caused by the Reststrahlen effect, in particular on those IR bands with the highest absorption coefficients. This paper concludes that the results obtained in situ by a diffuse reflectance handheld device are comparable to those obtained with laboratory diffuse reflectance spectroscopy equipment and proposes a few guidelines to acquire good spectra in the field, minimising the influence caused by the specular reflection. Copyright © 2014 Elsevier B.V. All rights reserved.

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

Infrared Spectroscopy Determination of Lead Binding to Ethylenediaminotetraacetic Acid

NASA Astrophysics Data System (ADS)

Fitch, Alanah; Dragan, Simona

1998-08-01

In an attempt to improve a thematic lab sequence based on lead analysis of community derived samples, we have considered infrared spectroscopy as a method of determining the lead bound to ethylenediaminotetraacetic acid (EDTA). Students get acquainted with infrared spectroscopy by interpreting the spectra of EDTA, disodium ethylenediaminotetraacetate (Na2EDTA) and of lead(II) ethylenediaminotetraacetate (PbEDTA). Spectral characterization of the above compounds in the 1800-1500 cm-1 region gives information about the structural changes that sodium and lead binding to EDTA, respectively, produce. The spectra show the carboxylic carbonyl absorption band shifted from 1697 cm-1 to 1633 cm-1 in Na2EDTA, and two distinctive absorption bands at 1697 cm-1 and 1558 cm-1 in PbEDTA, the former being attributed to the "free" carboxylic group, as in EDTA, and the latter to the coordinated carboxylate with the bond order of less than 1.5 between the carbon and oxygen atoms. These features led us to the conclusion that the divalent Pb is tetra-coordinated having two covalent metal-nitrogen bonds and two ionic metal-carboxylate bonds. Based on the spectral differences between PbEDTA and EDTA, we have developed a method to quantitate the amount of lead bound to EDTA by simply comparing the peak height of the most prominent peaks in the 1800-1550 cm-1 region. A potential application of this method could be determination of lead extracted by binding it to ethylenediaminotetraacetic acid, excess EDTA being added.

Near-infrared optical properties of ex-vivo human skin and subcutaneous tissues using reflectance and transmittance measurements

NASA Astrophysics Data System (ADS)

Simpson, Rebecca; Laufer, Jan G.; Kohl-Bareis, Matthias; Essenpreis, Matthias; Cope, Mark

1997-08-01

The vast majority of 'non-invasive' measurements of human tissues using near infrared spectroscopy rely on passing light through the dermis and subdermis of the skin. Accurate knowledge of the optical properties of these tissues is essential to put into models of light transport and predict the effects of skin perfusion on measurements of deep tissue. Additionally, the skin could be a useful accessible organ for non-invasively determining the constituents of blood flowing through it. Samples of abdominal human skin (including subdermal tissue) were obtained from either post mortem examinations or plastic surgery. The samples were separated into a dermal layer (epidermis and dermis, 1.5 to 2 mm tick), and a sub-cutaneous layer comprised largely of fat. They were enclosed between two glass coverslips and placed in an integrating sphere to measure their reflectance and transmittance over a range of wavelengths from 600 to 1000 nm. The reflectance and transmittance values were converted into average absorption and reduced scattering coefficients by comparison with a Monte Carlo model of light transport. Improvements to the Monte Carlo model and measurement technique removed some previous uncertainties. The results show excellent separation of reduced scattering and absorption coefficient, with clear absorption peaks of hemoglobin, water and lipid. The effect of tissue storage upon measured optical properties was investigated.

Rapid biochemical methane potential prediction of urban organic waste with near-infrared reflectance spectroscopy.

PubMed

Fitamo, T; Triolo, J M; Boldrin, A; Scheutz, C

2017-08-01

The anaerobic digestibility of various biomass feedstocks in biogas plants is determined with biochemical methane potential (BMP) assays. However, experimental BMP analysis is time-consuming, costly and challenging to optimise stock management and feeding to achieve improved biogas production. The aim of the present study is to develop a fast and reliable model based on near-infrared reflectance spectroscopy (NIRS) for the BMP prediction of urban organic waste (UOW). The model comprised 87 UOW samples. Additionally, 88 plant biomass samples were included, to develop a combined model predicting BMP. The coefficient of determination (R 2 ) and root mean square error in prediction (RMSE P ) of the UOW model were 0.88 and 44 mL CH 4 /g VS, while the combined model was 0.89 and 50 mL CH 4 /g VS. Improved model performance was obtained for the two individual models compared to the combined version. The BMP prediction with NIRS was satisfactory and moderately successful. Copyright © 2017 Elsevier Ltd. All rights reserved.

Infrared spectroscopy and spectroscopic imaging in forensic science.

PubMed

Ewing, Andrew V; Kazarian, Sergei G

2017-01-16

Infrared spectroscopy and spectroscopic imaging, are robust, label free and inherently non-destructive methods with a high chemical specificity and sensitivity that are frequently employed in forensic science research and practices. This review aims to discuss the applications and recent developments of these methodologies in this field. Furthermore, the use of recently emerged Fourier transform infrared (FT-IR) spectroscopic imaging in transmission, external reflection and Attenuated Total Reflection (ATR) modes are summarised with relevance and potential for forensic science applications. This spectroscopic imaging approach provides the opportunity to obtain the chemical composition of fingermarks and information about possible contaminants deposited at a crime scene. Research that demonstrates the great potential of these techniques for analysis of fingerprint residues, explosive materials and counterfeit drugs will be reviewed. The implications of this research for the examination of different materials are considered, along with an outlook of possible future research avenues for the application of vibrational spectroscopic methods to the analysis of forensic samples.

Investigations of the functional states of dendritic cells under different conditioned microenvironments by Fourier transformed infrared spectroscopy.

PubMed

Dong, Rong; Long, Jinhua; Xu, Xiaoli; Zhang, Chunlin; Wen, Zongyao; Li, Long; Yao, Weijuan; Zeng, Zhu

2014-01-10

Dendritic cells are potent and specialized antigen presenting cells, which play a crucial role in initiating and amplifying both the innate and adaptive immune responses. The dendritic cell-based vaccination against cancer has been clinically achieved promising successes. But there are still many challenges in its clinical application, especially for how to identify the functional states. The CD14+ monocytes were isolated from human peripheral blood after plastic adherence and purified to approximately 98% with cocktail immunomagnetic beads. The immature dendritic cells and mature dendritic cells were induced by traditional protocols. The resulting dendritic cells were cocultured with normal cells and cancer cells. The functional state of dendritic cells including immature dendritic cells (imDCs) and mature dendritic cells (mDCs) under different conditioned microenvironments were investigated by Fourier transformed infrared spectroscopy (FTIR) and molecular biological methods. The results of Fourier transformed infrared spectroscopy showed that the gene transcription activity and energy states of dendritic cells were specifically suppressed by tumor cells (P < 0.05 or 0.01). The expression levels of NF-kappa B (NF-κB) in dendritic cells were also specifically inhibited by tumor-derived factors (P < 0.05 or 0.01). Moreover, the ratios of absorption intensities of Fourier transformed infrared spectroscopy at given wave numbers were closely correlated with the expression levels of NF-κB (R2:0.69 and R2:0.81, respectively). Our results confirmed that the ratios of absorption intensities of Fourier transformed infrared spectroscopy at given wave numbers were positively correlated with the expression levels of NF-κB, suggesting that Fourier transformed infrared spectroscopy technology could be clinically applied to identify the functional states of dendritic cell when performing dendritic cell-based vaccination. It's significant for the simplification and

Transient Infrared Emission Spectroscopy

NASA Astrophysics Data System (ADS)

Jones, Roger W.; McClelland, John F.

1989-12-01

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

Prediction of Ba, Co and Ni for tropical soils using diffuse reflectance spectroscopy and X-ray fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Arantes Camargo, Livia; Marques Júnior, José; Reynaldo Ferracciú Alleoni, Luís; Tadeu Pereira, Gener; De Bortoli Teixeira, Daniel; Santos Rabelo de Souza Bahia, Angélica

2017-04-01

Environmental impact assessments may be assisted by spatial characterization of potentially toxic elements (PTEs). Diffuse reflectance spectroscopy (DRS) and X-ray fluorescence spectroscopy (XRF) are rapid, non-destructive, low-cost, prediction tools for a simultaneous characterization of different soil attributes. Although low concentrations of PTEs might preclude the observation of spectral features, their contents can be predicted using spectroscopy by exploring the existing relationship between the PTEs and soil attributes with spectral features. This study aimed to evaluate, in three geomorphic surfaces of Oxisols, the capacity for predicting PTEs (Ba, Co, and Ni) and their spatial variability by means of diffuse reflectance spectroscopy (DRS) and X-ray fluorescence spectroscopy (XRF). For that, soil samples were collected from three geomorphic surfaces and analyzed for chemical, physical, and mineralogical properties, and then analyzed in DRS (visible + near infrared - VIS+NIR and medium infrared - MIR) and XRF equipment. PTE prediction models were calibrated using partial least squares regression (PLSR). PTE spatial distribution maps were built using the values calculated by the calibrated models that reached the best accuracy using geostatistics. PTE prediction models were satisfactorily calibrated using MIR DRS for Ba, and Co (residual prediction deviation - RPD > 3.0), Vis DRS for Ni (RPD > 2.0) and FRX for all the studied PTEs (RPD > 1.8). DRS- and XRF-predicted values allowed the characterization and the understanding of spatial variability of the studied PTEs.

Multi-species sensing using multi-mode absorption spectroscopy with mid-infrared interband cascade lasers

NASA Astrophysics Data System (ADS)

O'Hagan, S.; Northern, J. H.; Gras, B.; Ewart, P.; Kim, C. S.; Kim, M.; Merritt, C. D.; Bewley, W. W.; Canedy, C. L.; Vurgaftman, I.; Meyer, J. R.

2016-06-01

The application of an interband cascade laser, ICL, to multi-mode absorption spectroscopy, MUMAS, in the mid-infrared region is reported. Measurements of individual mode linewidths of the ICL, derived from the pressure dependence of lineshapes in MUMAS signatures of single, isolated, lines in the spectrum of HCl, were found to be in the range 10-80 MHz. Multi-line spectra of methane were recorded using spectrally limited bandwidths, of approximate width 27 cm-1, defined by an interference filter, and consist of approximately 80 modes at spectral locations spanning the 100 cm-1 bandwidth of the ICL output. Calibration of the methane pressures derived from MUMAS data using a capacitance manometer provided measurements with an uncertainty of 1.1 %. Multi-species sensing is demonstrated by the simultaneous detection of methane, acetylene and formaldehyde in a gas mixture. Individual partial pressures of the three gases are derived from best fits of model MUMAS signatures to the data with an experimental error of 10 %. Using an ICL, with an inter-mode interval of ~10 GHz, MUMAS spectra were recorded at pressures in the range 1-10 mbar, and, based on the data, a potential minimum detection limit of the order of 100 ppmv is estimated for MUMAS at atmospheric pressure using an inter-mode interval of 80 GHz.

Quantitative analysis of curcumin-loaded alginate nanocarriers in hydrogels using Raman and attenuated total reflection infrared spectroscopy.

PubMed

Miloudi, Lynda; Bonnier, Franck; Bertrand, Dominique; Byrne, Hugh J; Perse, Xavier; Chourpa, Igor; Munnier, Emilie

2017-07-01

Core-shell nanocarriers are increasingly being adapted in cosmetic and dermatological fields, aiming to provide an increased penetration of the active pharmaceutical or cosmetic ingredients (API and ACI) through the skin. In the final form, the nanocarriers (NC) are usually prepared in hydrogels, conferring desired viscous properties for topical application. Combined with the high chemical complexity of the encapsulating system itself, involving numerous ingredients to form a stable core and quantifying the NC and/or the encapsulated active without labor-intensive and destructive methods remains challenging. In this respect, the specific molecular fingerprint obtained from vibrational spectroscopy analysis could unambiguously overcome current obstacles in the development of fast and cost-effective quality control tools for NC-based products. The present study demonstrates the feasibility to deliver accurate quantification of the concentrations of curcumin (ACI)-loaded alginate nanocarriers in hydrogel matrices, coupling partial least square regression (PLSR) to infrared (IR) absorption and Raman spectroscopic analyses. With respective root mean square errors of 0.1469 ± 0.0175% w/w and 0.4462 ± 0.0631% w/w, both approaches offer acceptable precision. Further investigation of the PLSR results allowed to highlight the different selectivity of each approach, indicating only IR analysis delivers direct monitoring of the NC through the quantification of the Labrafac®, the main NC ingredient. Raman analyses are rather dominated by the contribution of the ACI which opens numerous perspectives to quantify the active molecules without interferences from the complex core-shell encapsulating systems thus positioning the technique as a powerful analytical tool for industrial screening of cosmetic and pharmaceutical products. Graphical abstract Quantitative analysis of encapuslated active molecules in hydrogel-based samples by means of infrared and Raman spectroscopy.

Total reflection infrared spectroscopy of water-ice and frozen aqueous NaCl solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walker, Rachel L.; Searles, Keith; Willard, Jesse A.

2013-12-28

Liquid-like and liquid water at and near the surface of water-ice and frozen aqueous sodium chloride films were observed using attenuated total reflection infrared spectroscopy (ATR-IR). The concentration of NaCl ranged from 0.0001 to 0.01 M and the temperature varied from the melting point of water down to 256 K. The amount of liquid brine at the interface of the frozen films with the germanium ATR crystal increased with salt concentration and temperature. Experimental spectra are compared to reflection spectra calculated for a simplified morphology of a uniform liquid layer between the germanium crystal and the frozen film. This morphologymore » allows for the amount of liquid observed in an experimental spectrum to be converted to the thickness of a homogenous layer with an equivalent amount of liquid. These equivalent thickness ranges from a nanometer for water-ice at 260 K to 170 nm for 0.01 M NaCl close to the melting point. The amounts of brine observed are over an order of magnitude less than the total liquid predicted by equilibrium thermodynamic models, implying that the vast majority of the liquid fraction of frozen solutions may be found in internal inclusions, grain boundaries, and the like. Thus, the amount of liquid and the solutes dissolved in them that are available to react with atmospheric gases on the surfaces of snow and ice are not well described by thermodynamic equilibrium models which assume the liquid phase is located entirely at the surface.« less

Total reflection infrared spectroscopy of water-ice and frozen aqueous NaCl solutions.

PubMed

Walker, Rachel L; Searles, Keith; Willard, Jesse A; Michelsen, Rebecca R H

2013-12-28

Liquid-like and liquid water at and near the surface of water-ice and frozen aqueous sodium chloride films were observed using attenuated total reflection infrared spectroscopy (ATR-IR). The concentration of NaCl ranged from 0.0001 to 0.01 M and the temperature varied from the melting point of water down to 256 K. The amount of liquid brine at the interface of the frozen films with the germanium ATR crystal increased with salt concentration and temperature. Experimental spectra are compared to reflection spectra calculated for a simplified morphology of a uniform liquid layer between the germanium crystal and the frozen film. This morphology allows for the amount of liquid observed in an experimental spectrum to be converted to the thickness of a homogenous layer with an equivalent amount of liquid. These equivalent thickness ranges from a nanometer for water-ice at 260 K to 170 nm for 0.01 M NaCl close to the melting point. The amounts of brine observed are over an order of magnitude less than the total liquid predicted by equilibrium thermodynamic models, implying that the vast majority of the liquid fraction of frozen solutions may be found in internal inclusions, grain boundaries, and the like. Thus, the amount of liquid and the solutes dissolved in them that are available to react with atmospheric gases on the surfaces of snow and ice are not well described by thermodynamic equilibrium models which assume the liquid phase is located entirely at the surface.

Modeling thermal infrared (2-14 micrometer) reflectance spectra of frost and snow

NASA Technical Reports Server (NTRS)

Wald, Andrew E.

1994-01-01

Existing theories of radiative transfer in close-packed media assume that each particle scatters independently of its neighbors. For opaque particles, such as are common in the thermal infrared, this assumption is not valid, and these radiative transfer theories will not be accurate. A new method is proposed, called 'diffraction subtraction', which modifies the scattering cross section of close-packed large, opaque spheres to account for the effect of close packing on the diffraction cross section of a scattering particle. This method predicts the thermal infrared reflectance of coarse (greater than 50 micrometers radius), disaggregated granular snow. However, such coarse snow is typically old and metamorphosed, with adjacent grains welded together. The reflectance of such a welded block can be described as partly Fresnel in nature and cannot be predicted using Mie inputs to radiative transfer theory. Owing to the high absorption coefficient of ice in the thermal infrared, a rough surface reflectance model can be used to calculate reflectance from such a block. For very small (less than 50 micrometers), disaggregated particles, it is incorrect in principle to treat diffraction independently of reflection and refraction, and the theory fails. However, for particles larger than 50 micrometers, independent scattering is a valid assumption, and standard radiative transfer theory works.

Applications of fourier transform infrared spectroscopy to surface analysis problems 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, G.L.; Milosevic, M.

Applications of infrared spectroscopy to surface analysis are described in terms of the combined use of a number of techniques to solve specific surface analysis problems involving both qualitative and quantitative analysis of surface species. Emphasis is placed on the characterization of both the substrate and the surface species and the application of this to the monitoring of surface processes and the inspection of manufactured items. Lithium Hydride has been studied using remote analysis by diffuse reflectance in glove boxes containing very pure argon or controlled moisture levels with robot-operated gravimetric monitoring. These experiments are supported by internal reflectance andmore » diffuse reflectance measurements in spectrometer sample compartments to characterize the reactants. Beryllium oxide has been studied using an evacuable diffuse reflectance cell to determine the effects of vacuum baking reexposure to moisture on the surface hydroxyl species. Diffuse reflectance and emission measurements have been used to monitor the curing and reaction of environmental gases with composite materials such as graphite-expoxy structures. A direct comparison of diffuse reflectance and emission spectra was done using a barrel ellipsoid diffuse reflectance/emission detector and Spectropus optical transfer system. Grazing-incidence external-reflectance with p-polarized light was used to study the oxidation in room air of polished uranium coupons. The absorption band at 570 cm{sup {minus}1} was used to monitor the extent of oxidation with a resolution of approximately one monolayer of UO{sub 2} and to distinguish the parabolic, linear, and breakaway corrosion domains. External reflectance is compared with diffuse reflectance as a method for stain analysis and for measuring the effects of H{sub 2}O in UO{sub 2} corrosion films.« less

Vibrational mid-infrared photothermal spectroscopy using a fiber laser probe: asymptotic limit in signal-to-baseline contrast.

PubMed

Totachawattana, Atcha; Liu, Hui; Mertiri, Alket; Hong, Mi K; Erramilli, Shyamsunder; Sander, Michelle Y

2016-01-01

We report on a mid-infrared photothermal spectroscopy system with a near-infrared fiber probe laser and a tunable quantum cascade pump laser. Photothermal spectra of a 6 μm-thick 4-octyl-4^'-cyanobiphenyl liquid crystal sample are measured with a signal-to-baseline contrast above 10³. As both the peak photothermal signal and the corresponding baseline increase linearly with probe power, the signal-to-baseline contrast converges to an asymptotic limit for a given pump power. This limit is independent of the probe power and characterizes the best contrast achievable for the system. This enables sensitive quantitative spectral characterization of linear infrared absorption features directly from photothermal spectroscopy measurements.

Wafer-scale metasurface for total power absorption, local field enhancement and single molecule Raman spectroscopy

PubMed Central

Wang, Dongxing; Zhu, Wenqi; Best, Michael D.; Camden, Jon P.; Crozier, Kenneth B.

2013-01-01

The ability to detect molecules at low concentrations is highly desired for applications that range from basic science to healthcare. Considerable interest also exists for ultrathin materials with high optical absorption, e.g. for microbolometers and thermal emitters. Metal nanostructures present opportunities to achieve both purposes. Metal nanoparticles can generate gigantic field enhancements, sufficient for the Raman spectroscopy of single molecules. Thin layers containing metal nanostructures (“metasurfaces”) can achieve near-total power absorption at visible and near-infrared wavelengths. Thus far, however, both aims (i.e. single molecule Raman and total power absorption) have only been achieved using metal nanostructures produced by techniques (high resolution lithography or colloidal synthesis) that are complex and/or difficult to implement over large areas. Here, we demonstrate a metasurface that achieves the near-perfect absorption of visible-wavelength light and enables the Raman spectroscopy of single molecules. Our metasurface is fabricated using thin film depositions, and is of unprecedented (wafer-scale) extent. PMID:24091825

[Identification of different Citrus sinensis (L.) Osbeck trees varieties using Fourier transform infrared spectroscopy and hierarchical cluster analysis].

PubMed

Yi, Shi-Lai; Deng, Lie; He, Shao-Lan; Shi, You-Ming; Zheng, Yong-Qiang; Lu, Qiang; Xie, Rang-Jin; Wei, Xian-Guoi; Li, Song-Wei; Jian, Shui-Xian

2012-11-01

Researched on diversity of the spring leaf samples of seven different Citrus sinensis (L.) Osbeck varieties by Fourier transform infrared (FTIR) spectroscopy technology, the results showed that the Fourier transform infrared spectra of seven varieties leaves was composited by the absorption band of cellulose and polysaccharide mainly, the wave number of characteristics absorption peaks were similar at their FTIR spectra. However, there were some differences in shape of peaks and relatively absorption intensity. The conspicuous difference was presented at the region between 1 500 and 700 cm(-1) by second derivative spectra. Through the hierarchical cluster analysis (HCA) of second derivative spectra between 1 500 and 700 cm(-1), the results showed that the clustering of the different varieties of Citrus sinensis (L.) Osbeck varieties was classification according to genetic relationship. The results showed that FTIR spectroscopy combined with hierarchical cluster analysis could be used to identify and classify of citrus varieties rapidly, it was an extension method to study on early leaves of varieties orange seedlings.

Examination of U valence states in the brannerite structure by near-infrared diffuse reflectance and X-ray photoelectron spectroscopies

NASA Astrophysics Data System (ADS)

Finnie, Kim S.; Zhang, Zhaoming; Vance, Eric R.; Carter, Melody L.

2003-04-01

The valence state of uranium doped into a f 0 thorium analog of brannerite (i.e., thorutite) has been examined using near-infrared (NIR) diffuse reflectance (DRS) and X-ray photoelectron (XPS) spectroscopies. NIR transitions of U 4+, which are not observed in spectra of brannerite, have been detected in the samples of U xTh 1- xTi 2O 6, and we propose that strong specular reflectance is responsible for the lack of U 4+ features in UTi 2O 6. Characteristic U 5+ bands have been identified in samples in which sufficient Ca 2+ has been added to nominally effect complete oxidation to U 5+. XPS results support the assignments of U 4+ and U 5+ by DRS. The presence of residual U 4+ bands in the spectra of the Ca-doped samples is consistent with segregation of Ca 2+ to the grain boundaries during high temperature sintering.

[Discriminant Analysis of Lavender Essential Oil by Attenuated Total Reflectance Infrared Spectroscopy].

PubMed

Tang, Jun; Wang, Qing; Tong, Hong; Liao, Xiang; Zhang, Zheng-fang

2016-03-01

This work aimed to use attenuated total reflectance Fourier transform infrared spectroscopy to identify the lavender essential oil by establishing a Lavender variety and quality analysis model. So, 96 samples were tested. For all samples, the raw spectra were pretreated as second derivative, and to determine the 1 750-900 cm(-1) wavelengths for pattern recognition analysis on the basis of the variance calculation. The results showed that principal component analysis (PCA) can basically discriminate lavender oil cultivar and the first three principal components mainly represent the ester, alcohol and terpenoid substances. When the orthogonal partial least-squares discriminant analysis (OPLS-DA) model was established, the 68 samples were used for the calibration set. Determination coefficients of OPLS-DA regression curve were 0.959 2, 0.976 4, and 0.958 8 respectively for three varieties of lavender essential oil. Three varieties of essential oil's the root mean square error of prediction (RMSEP) in validation set were 0.142 9, 0.127 3, and 0.124 9, respectively. The discriminant rate of calibration set and the prediction rate of validation set had reached 100%. The model has the very good recognition capability to detect the variety and quality of lavender essential oil. The result indicated that a model which provides a quick, intuitive and feasible method had been built to discriminate lavender oils.

Polaron physics and crossover transition in magnetite probed by pressure-dependent infrared spectroscopy.

PubMed

Ebad-Allah, J; Baldassarre, L; Sing, M; Claessen, R; Brabers, V A M; Kuntscher, C A

2013-01-23

The optical properties of magnetite at room temperature were studied by infrared reflectivity measurements as a function of pressure up to 8 GPa. The optical conductivity spectrum consists of a Drude term, two sharp phonon modes, a far-infrared band at around 600 cm(-1) and a pronounced mid-infrared absorption band. With increasing pressure both absorption bands shift to lower frequencies and the phonon modes harden in a linear fashion. Based on the shape of the MIR band, the temperature dependence of the dc transport data, and the occurrence of the far-infrared band in the optical conductivity spectrum, the polaronic coupling strength in magnetite at room temperature should be classified as intermediate. For the lower energy phonon mode an abrupt increase of the linear pressure coefficient occurs at around 6 GPa, which could be attributed to minor alterations of the charge distribution among the different Fe sites.

Mid infrared emission spectroscopy of carbon plasma.

PubMed

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

2017-01-05

Mid infrared time-resolved emission spectra were recorded from laser-induced carbon plasma. These spectra constitute the first study of carbon materials LIB spectroscopy in the mid infrared range. The carbon plasma was induced using a Q-switched Nd: YAG laser. The laser beam was focused to high purity graphite pellets mounted on a translation stage. Mid infrared emission from the plasma in an atmospheric pressure background gas was detected by a cooled HgCdTe detector in the range 4.4-11.6μm, using long-pass filters. LIB spectra were taken in argon, helium and also in air. Despite a gate delay of 10μs was used there were strong backgrounds in the spectra. Superimposed on this background broad and noisy emission bands were observed, the form and position of which depended somewhat on the ambient gas. The spectra were digitally smoothed and background corrected. In argon, for instance, strong bands were observed around 4.8, 6.0 and 7.5μm. Using atomic spectral data by NIST it could be concluded that carbon, argon, helium and nitrogen lines from neutral and ionized atoms are very weak in this spectral region. The width of the infrared bands supports molecular origin. The infrared emission bands were thus compared to vibrational features of carbon molecules (excluding C2) of various sizes on the basis of previous carbon cluster infrared absorption and emission spectroscopic analyses in the literature and quantum chemical calculations. Some general considerations are given about the present results. Copyright © 2016 Elsevier B.V. All rights reserved.

Analysis of Atmospheric Composition and Tropospheric Variability With Integrated Open- Path and Ground-Based Solar Infrared Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Steill, J. D.; Compton, R. N.; Hager, J. S.

2006-12-01

Ground-based solar infrared absorption spectroscopy coupled with open-path spectroscopy provides a means for analysis of the highly variable contribution of the boundary layer to problems of radiative transfer and atmospheric chemistry. This is of particular importance in geographic regions of significant local anthropogenic influence and large tropospheric fluctuations in general. A Bomem DA8 FT-IR integrated with a sun-tracking and open-path system (~0.5 km) is located at The University of Tennessee, in downtown Knoxville and near The Great Smoky Mountains National Park, an area known for problematic air quality. From atmospheric absorption spectra, boundary layer concentrations as well as total column abundances and vertical concentration profiles are derived. A record of more than 1000 solar-sourced atmospheric spectra covering a period greater than three years in duration is under analysis to characterize the limit of precision in total column abundance determinations for many gases such as O3, CO, CH4, N2O, HF and CO2. Initial efforts using atmospheric O2 as a calibration indicate the solar-sourced spectra may not meet the precision required for the highly accurate atmospheric CO2 quantification by such global efforts as the OCO and NDSC. However, the determined variability of CO2 and other gas concentrations is statistically significant and is indicative of local concentration fluxes pertinent to the regional atmospheric chemistry. This is therefore an important data record in the southeastern United States, a somewhat under- sampled geographic region. In addition to providing a means to improve the analysis of solar spectra, the open-path data is useful for elucidation of seasonal and diurnal trends in the trace gas concentrations. This provides an urban air quality monitor in addition to improving the description of the total atmospheric composition, as the open-path system is stable and permanent.

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

The present paper deals with the physiological response of the changes in chemical contents of the root, stem and leaf of Arundo donax seedlings stressed by excess cadmium using Fourier transform infrared spectroscopy technique, cadmium accumulation in plant by atomic absorption spectroscopy were tested after different concentrations cadmium stress. The results showed that low cadmium concentrations (<1.0 mg/L) the root tissue of Arundo donax uses osmosis of organic substances (e.g. carbohydrates and amino acids) to improve cadmium tolerance. Organic substances (e.g. carbohydrates) that contain a lot of Osbnd H in leaf were transported to the root firstly and then could chelate cadmium, but no obvious changes in stems were noted. The cadmium in the shoots (stem and leaf) usually increased with increasing cadmium concentration. These studies demonstrate the potential of Fourier transform infrared spectroscopy technique for the non-invasive and rapid monitoring of the plants stressed with heavy metals, Arundo donax is suitable for phytoremediation of cadmium -contaminated wetland.

Application of visible and infrared spectroscopy for the evaluation of evolved glauconite

NASA Astrophysics Data System (ADS)

Chattoraj, Shovan L.; Banerjee, Santanu; van der Meer, Freek; Champati Ray, P. K.

2018-02-01

The Oligocene Maniyara Fort Formation in western India exhibits two distinct glauconite types with different maturation states, which are characterized by their spectral response in the visible to infrared spectrum of electromagnetic radiation. Spectral signatures of Maniyara Fort glauconites display absorption features at approximately 0.77, 1.08, 1.9, 2.3 μm in the visible-short-wave infrared (SWIR) and 2.8 and 10 μm in the mid-infrared (MIR) region which vary with K2O content of glauconite. The spectra of glauconite varies significantly as a function of its cationic contents and substitution in different sites. The maturity is found to increase in tandem with the metal-metal charge transfer (CT) and the Fe2+ dd absorption band respectively at 1.08 and 0.77 μm. H2O and OH- signatures at the NIR region reflect differences in the sensitivity of glauconites with different molecular H2O content. In the MIR region, a gradual shift of the Sisbnd O stretch at 10 μm towards lower wavelengths indicates the dominance of smectite layers in glauconites. This study demonstrates a strong correlation between the proportion of expandable layers in the glauconite structure with variations in characteristic band position, depth and symmetry in reflectance and emissivity.

Fourier-transform infrared spectroscopy (FTIR) analysis of triclinic and hexagonal birnessites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ling, Florence T.; Post, Jeffrey E.; Heaney, Peter J.

The characterization of birnessite structures is particularly challenging for poorly crystalline materials of biogenic origin, and a determination of the relative concentrations of triclinic and hexagonal birnessite in a mixed assemblage has typically required synchrotron-based spectroscopy and diffraction approaches. In this study, Fourier-transform infrared spectroscopy (FTIR) is demonstrated to be capable of differentiating synthetic triclinic Na-birnessite and synthetic hexagonal H-birnessite. Furthermore, IR spectral deconvolution of peaks resulting from Mnsingle bondO lattice vibrations between 400 and 750 cm - 1 yield results comparable to those obtained by linear combination fitting of synchrotron X-ray absorption fine structure (EXAFS) data when applied tomore » known mixtures of triclinic and hexagonal birnessites. Density functional theory (DFT) calculations suggest that an infrared absorbance peak at ~ 1628 cm - 1 may be related to OH vibrations near vacancy sites. The integrated intensity of this peak may show sensitivity to vacancy concentrations in the Mn octahedral sheet for different birnessites.« less

Detection of aflatoxin and surface mould contaminated figs by using Fourier transform near-infrared reflectance spectroscopy.

PubMed

Durmuş, Efkan; Güneş, Ali; Kalkan, Habil

2017-01-01

Aflatoxins are toxic metabolites that are mainly produced by members of the Aspergillus section Flavi on many agricultural products. Certain agricultural products such as figs are known to be high risk products for aflatoxin contamination. Aflatoxin contaminated figs may show a bright greenish yellow fluorescence (BGYF) under ultraviolet (UV) light at a wavelength of 365 nm. Traditionally, BGYF positive figs are manually selected by workers. However, manual selection depends on the expertise level of the workers and it may cause them skin-related health problems due to UV radiation. In this study, we propose a non-invasive approach to detect aflatoxin and surface mould contaminated figs by using Fourier transform near-infrared (FT-NIR) reflectance spectroscopy. A classification accuracy of 100% is achieved for classifying the figs into aflatoxin contaminated/uncontaminated and surface mould contaminated/uncontaminated categories. In addition, a strong correlation has been found between aflatoxin and surface mould. Combined with pattern classification methods, the NIR spectroscopy can be used to detect aflatoxin contaminated figs non-invasively. Furthermore, a positive correlation between surface mould and aflatoxin contamination leads to a promising alternative indicator for the detection of aflatoxin-contaminated figs. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Changes in hemp secondary fiber production related to technical fiber variability revealed by light microscopy and attenuated total reflectance Fourier transform infrared spectroscopy

PubMed Central

Fernandez-Tendero, Eva; Day, Arnaud; Legros, Sandrine; Habrant, Anouck; Hawkins, Simon

2017-01-01

Interest in hemp (Cannabis sativa L.) is increasing due to the development of a new range of industrial applications based on bast fibers. However the variability of bast fiber yield and quality represents an important barrier to further exploitation. Primary and secondary fiber content was examined in two commercial hemp varieties (Fedora 17, Santhica 27) grown under contrasted sowing density and irrigation conditions. Both growing conditions and hemp varieties impact stem tissue architecture with a large effect on the proportion of secondary fibers but not primary fibers. Attenuated total reflectance infrared spectroscopy allowed the discrimination of manually-isolated native primary fibers and secondary fibers but did not reveal any clustering according to growing conditions and variety. Infrared data were confirmed by wet chemistry analyses that revealed slight but significant differences between primary and secondary fiber cell wall composition. Infrared spectroscopy of technical fibers obtained after mechanical defibering revealed differences with native primary, but not secondary fibers and also discriminated samples obtained from plants grown under different conditions. Altogether the results suggested that the observed variability of hemp technical fibers could be partially explained by i) differences in secondary fiber production and ii) differential behavior during mechanical defibering resulting in unequal separation of primary and secondary fibers. PMID:28640922

Changes in hemp secondary fiber production related to technical fiber variability revealed by light microscopy and attenuated total reflectance Fourier transform infrared spectroscopy.

PubMed

Fernandez-Tendero, Eva; Day, Arnaud; Legros, Sandrine; Habrant, Anouck; Hawkins, Simon; Chabbert, Brigitte

2017-01-01

Interest in hemp (Cannabis sativa L.) is increasing due to the development of a new range of industrial applications based on bast fibers. However the variability of bast fiber yield and quality represents an important barrier to further exploitation. Primary and secondary fiber content was examined in two commercial hemp varieties (Fedora 17, Santhica 27) grown under contrasted sowing density and irrigation conditions. Both growing conditions and hemp varieties impact stem tissue architecture with a large effect on the proportion of secondary fibers but not primary fibers. Attenuated total reflectance infrared spectroscopy allowed the discrimination of manually-isolated native primary fibers and secondary fibers but did not reveal any clustering according to growing conditions and variety. Infrared data were confirmed by wet chemistry analyses that revealed slight but significant differences between primary and secondary fiber cell wall composition. Infrared spectroscopy of technical fibers obtained after mechanical defibering revealed differences with native primary, but not secondary fibers and also discriminated samples obtained from plants grown under different conditions. Altogether the results suggested that the observed variability of hemp technical fibers could be partially explained by i) differences in secondary fiber production and ii) differential behavior during mechanical defibering resulting in unequal separation of primary and secondary fibers.

Detection of sibutramine in adulterated dietary supplements using attenuated total reflectance-infrared spectroscopy.

PubMed

Deconinck, E; Cauwenbergh, T; Bothy, J L; Custers, D; Courselle, P; De Beer, J O

2014-11-01

Sibutramine is one of the most occurring adulterants encountered in dietary supplements with slimming as indication. These adulterated dietary supplements often contain a herbal matrix. When customs intercept these kind of supplements it is almost impossible to discriminate between the legal products and the adulterated ones, due to misleading packaging. Therefore in most cases these products are confiscated and send to laboratories for analysis. This results inherently in the confiscation of legal, non-adulterated products. Therefore there is a need for easy to use equipment and techniques to perform an initial screening of samples. Attenuated total reflectance-infrared (ATR-IR) spectroscopy was evaluated for the detection of sibutramine in adulterated dietary supplements. Data interpretation was performed using different basic chemometric techniques. It was found that the use of ATR-IR combined with the k-Nearest Neighbours (k-NN) was able to detect all adulterated dietary supplements in an external test set and this with a minimum of false positive results. This means that a small amount of legal products will still be confiscated and analyzed in a laboratory to be found negative, but no adulterated samples will pass the initial ATR-IR screening. Copyright © 2014 Elsevier B.V. All rights reserved.

Observation of enhanced infrared absorption in silicon supersaturated with gold by pulsed laser melting of nanometer-thick gold films

NASA Astrophysics Data System (ADS)

Chow, Philippe K.; Yang, Wenjie; Hudspeth, Quentin; Lim, Shao Qi; Williams, Jim S.; Warrender, Jeffrey M.

2018-04-01

We demonstrate that pulsed laser melting (PLM) of thin 1, 5, and 10 nm-thick vapor-deposited gold layers on silicon enhances its room-temperature sub-band gap infrared absorption, as in the case of ion-implanted and PLM-treated silicon. The former approach offers reduced fabrication complexity and avoids implantation-induced lattice damage compared to ion implantation and pulsed laser melting, while exhibiting comparable optical absorptance. We additionally observed strong broadband absorptance enhancement in PLM samples made using 5- and 10-nm-thick gold layers. Raman spectroscopy and Rutherford backscattering analysis indicate that such an enhancement could be explained by absorption by a metastable, disordered and gold-rich surface layer. The sheet resistance and the diode electrical characteristics further elucidate the role of gold-supersaturation in silicon, revealing the promise for future silicon-based infrared device applications.

Reflectance and Thermal Infrared Spectroscopy of Mars: Relationship Between ISM and TES for Compositional Determinations

NASA Technical Reports Server (NTRS)

Boyce, Joseph (Technical Monitor); Mustard, John

2004-01-01

Reflectance spectroscopy has demonstrated that high albedo surfaces on Mars contain heavily altered materials with some component of hematite, poorly crystalline ferric oxides, and an undefined silicate matrix. The spectral properties of many low albedo regions indicate crystalline basalts containing both low and high calcium pyroxene, a mineralogy consistent with the basaltic SNC meteorites. The Thermal Emission Spectrometer (TES) experiment on the Mars Geochemical Surveyor has acquired critical new data relevant to surface composition and mineralogy, but in a wavelength region that is complementary to reflectance spectroscopy. The essence of the completed research was to analyze TES data in the context of reflectance data obtained by the French ISM imaging spectrometer experiment in 1989. This approach increased our understanding of the complementary nature of these wavelength regions for mineralogic determinations using actual observations of the martian surface. The research effort focused on three regions of scientific importance: Syrtis Major-Isidis Basin, Oxia Palus-Arabia, and Valles Marineris. In each region distinct spatial variations related to reflectance, and in derived mineralogic information and interpreted compositional units were analyzed. In addition, specific science questions related to the composition of volcanics and crustal evolution, soil compositions and pedogenic processes, and the relationship between pristine lithologies and weathering provided an overall science-driven framework for the work. The detailed work plan involved colocation of TES and ISM data, extraction of reflectance and emissivity spectra from areas of known reflectance variability, and quantitative analysis using factor analysis and statistical techniques to determine the degree of correspondence between these different wavelength regions. Identified coherent variations in TES spectroscopy were assessed against known atmospheric effects to validate that the variations

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.

Brown carbon absorption in the red and near-infrared spectral region

NASA Astrophysics Data System (ADS)

Hoffer, András; Tóth, Ádám; Pósfai, Mihály; Eddy Chung, Chul; Gelencsér, András

2017-06-01

Black carbon (BC) aerosols have often been assumed to be the only light-absorbing carbonaceous particles in the red and near-infrared spectral regions of solar radiation in the atmosphere. Here we report that tar balls (a specific type of organic aerosol particles from biomass burning) do absorb red and near-infrared radiation significantly. Tar balls were produced in a laboratory experiment, and their chemical and optical properties were measured. The absorption of these particles in the range between 470 and 950 nm was measured with an aethalometer, which is widely used to measure atmospheric aerosol absorption. We find that the absorption coefficient of tar balls at 880 nm is more than 10 % of that at 470 nm. The considerable absorption of red and infrared light by tar balls also follows from their relatively low absorption Ångström coefficient (and significant mass absorption coefficient) in the spectral range between 470 and 950 nm. Our results support the previous finding that tar balls may play an important role in global warming. Due to the non-negligible absorption of tar balls in the near-infrared region, the absorption measured in the field at near-infrared wavelengths cannot solely be due to soot particles.

Optical analysis of cirrhotic liver by near infrared time resolved spectroscopy

NASA Astrophysics Data System (ADS)

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

1999-10-01

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

Thermal consequences of colour and near-infrared reflectance.

PubMed

Stuart-Fox, Devi; Newton, Elizabeth; Clusella-Trullas, Susana

2017-07-05

The importance of colour for temperature regulation in animals remains controversial. Colour can affect an animal's temperature because all else being equal, dark surfaces absorb more solar energy than do light surfaces, and that energy is converted into heat. However, in reality, the relationship between colour and thermoregulation is complex and varied because it depends on environmental conditions and the physical properties, behaviour and physiology of the animal. Furthermore, the thermal effects of colour depend as much on absorptance of near-infrared ((NIR), 700-2500 nm) as visible (300-700 nm) wavelengths of direct sunlight; yet the NIR is very rarely considered or measured. The few available data on NIR reflectance in animals indicate that the visible reflectance is often a poor predictor of NIR reflectance. Adaptive variation in animal coloration (visible reflectance) reflects a compromise between multiple competing functions such as camouflage, signalling and thermoregulation. By contrast, adaptive variation in NIR reflectance should primarily reflect thermoregulatory requirements because animal visual systems are generally insensitive to NIR wavelengths. Here, we assess evidence and identify key research questions regarding the thermoregulatory function of animal coloration, and specifically consider evidence for adaptive variation in NIR reflectance.This article is part of the themed issue 'Animal coloration: production, perception, function and application'. © 2017 The Author(s).

Portable ultrahigh-vacuum sample storage system for polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Watanabe, Yoshihide, E-mail: e0827@mosk.tytlabs.co.jp; Nishimura, Yusaku F.; Suzuki, Ryo

A portable ultrahigh-vacuum sample storage system was designed and built to investigate the detailed geometric structures of mass-selected metal clusters on oxide substrates by polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy (PTRF-XAFS). This ultrahigh-vacuum (UHV) sample storage system provides the handover of samples between two different sample manipulating systems. The sample storage system is adaptable for public transportation, facilitating experiments using air-sensitive samples in synchrotron radiation or other quantum beam facilities. The samples were transferred by the developed portable UHV transfer system via a public transportation at a distance over 400 km. The performance of the transfer system was demonstratedmore » by a successful PTRF-XAFS study of Pt{sub 4} clusters deposited on a TiO{sub 2}(110) surface.« less

Diffuse reflectance relations based on diffusion dipole theory for large absorption and reduced scattering

NASA Astrophysics Data System (ADS)

Bremmer, Rolf H.; van Gemert, Martin J. C.; Faber, Dirk J.; van Leeuwen, Ton G.; Aalders, Maurice C. G.

2013-08-01

Diffuse reflectance spectra are used to determine the optical properties of biological samples. In medicine and forensic science, the turbid objects under study often possess large absorption and/or scattering properties. However, data analysis is frequently based on the diffusion approximation to the radiative transfer equation, implying that it is limited to tissues where the reduced scattering coefficient dominates over the absorption coefficient. Nevertheless, up to absorption coefficients of 20 m at reduced scattering coefficients of 1 and 11.5 mm-1, we observed excellent agreement (r2=0.994) between reflectance measurements of phantoms and the diffuse reflectance equation proposed by Zonios et al. [Appl. Opt. 38, 6628-6637 (1999)], derived as an approximation to one of the diffusion dipole equations of Farrell et al. [Med. Phys. 19, 879-888 (1992)]. However, two parameters were fitted to all phantom experiments, including strongly absorbing samples, implying that the reflectance equation differs from diffusion theory. Yet, the exact diffusion dipole approximation at high reduced scattering and absorption also showed agreement with the phantom measurements. The mathematical structure of the diffuse reflectance relation used, derived by Zonios et al. [Appl. Opt. 38, 6628-6637 (1999)], explains this observation. In conclusion, diffuse reflectance relations derived as an approximation to the diffusion dipole theory of Farrell et al. can analyze reflectance ratios accurately, even for much larger absorption than reduced scattering coefficients. This allows calibration of fiber-probe set-ups so that the object's diffuse reflectance can be related to its absorption even when large. These findings will greatly expand the application of diffuse reflection spectroscopy. In medicine, it may allow the use of blue/green wavelengths and measurements on whole blood, and in forensic science, it may allow inclusion of objects such as

Reflectance and Mossbauer spectroscopy of ferrihydrite-montmorillonite assemblages as Mars soil analog materials

NASA Technical Reports Server (NTRS)

Bishop, J. L.; Pieters, C. M.; Burns, R. G.; Chang, S. (Principal Investigator)

1993-01-01

Spectroscopic analyses show that Fe(3+)-doped smectites prepared in the laboratory exhibit important similarities to the soils on Mars. Ferrihydrite has been identified as the interlayer ferric component in Fe(3+)-doped smectites by a low quadrupole splitting and magnetic field strength of approximately 48 tesla in Mossbauer spectra measured at 4.2 K, as well as a crystal field transition at 0.92 micrometer. Ferrihydrite in these smectites explains features in the visible-near infrared region that resemble the energies and band strengths of features in reflectance spectra observed for several bright regions on Mars. Clay silicates have met resistance in the past as Mars soil analogs because terrestrial clay silicates exhibit prominent hydrous spectral features at 1.4, 1.9, and 2.2 micrometers; and these are observed weakly, if at all, in reflectance spectra of Mars. However, several mechanisms can weaken or compress these features, including desiccation under low-humidity conditions. The hydration properties of the interlayer cations also effect band strengths, such that a ferrihydrite-bearing smectite in the Martian environment would exhibit a 1.9 micrometers H2O absorption that is even weaker than the 2.2 micrometers structural OH absorption. Mixing experiments demonstrate that infrared spectral features of clays can be significantly suppressed and that the reflectance can be significantly darkened by mixing with only a few percent of a strongly absorbing opaque material. Therefore, the absolute reflectance of a soil on Mars may be disproportionately sensitive to a minor component. For this reason, the shape and position of spectral features and the chemical composition of potential analogs are of utmost importance in assessing the composition of the soil on Mars. Given the remarkable similarity between visible-infrared reflectance spectra of soils in bright regions on Mars and Fe(3+)-doped montmorillonites, coupled with recent observations of smectites in SNC

A safe, low-cost, and portable instrumentation for bedside time-resolved picosecond near infrared spectroscopy

NASA Astrophysics Data System (ADS)

Amouroux, Marine; Uhring, Wilfried; Pebayle, Thierry; Poulet, Patrick; Marlier, Luc

2009-07-01

Continuous wave Near InfraRed Spectroscopy (NIRS) has been used successfully in clinical environments for several years to detect cerebral activation thanks to oxymetry (i.e. absorption of photons by oxy- and deoxy- hemoglobin) measurement. The goal of our group is to build a clinically-adapted time-resolved NIRS setup i.e. a setup that is compact and robust enough to allow bedside measurements and that matches safety requirements with human patients applications. Indeed our group has already shown that time resolution allows spatial resolution and improves sensitivity of cerebral activation detection. The setup is built with four laser diodes (excitation wavelengths: 685, 780, 830 and 870 nm) whose emitted light is injected into four optical fibers; detection of reflected photons is made through an avalanche photodiode and a high resolution timing module used to record Temporal Point Spread Functions (TPSF). Validation of the device was made using cylindrically-chaped phantoms with absorbing and/or scattering inclusions. Results show that recorded TPSF are typical both of scattering and absorbing materials thus demonstrating that our apparatus would detect variation of optical properties (absorption and scattering) deep within a diffusive media just like a cerebral activation represents a rise of absorption in the cortex underneath head surface.

Crystallographically Anisotropic Shape of Forsterite: New Probe for Evaluating Dust Formation History from Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Takigawa, Aki; Tachibana, Shogo

2012-05-01

Crystalline dust has been observed by infrared spectroscopy around dust-enshrouded asymptotic giant branch stars, in protoplanetary disks, and from some comets. Crystalline materials often have a specific shape related to a specific crystallographic orientation (crystallographically anisotropic shape), which reflects the anisotropic nature of crystals, and their infrared spectral features depend on crystallographically anisotropic shapes. The crystallographically anisotropic shape is thus a potentially powerful probe to evaluate circumstellar dust-forming conditions quantitatively. In order to assess the possibility to determine the crystallographically anisotropic shape from infrared spectra, we calculated mass absorption coefficients for ellipsoidal forsterite particles, the most abundant circumstellar crystalline silicate, elongated and flattened along the crystallographic a-, b-, and c-axes with various aspect ratios in the wavelength range of 9-70 μm. It was found that differences in infrared features caused by various crystallographicaly anisotropic shapes are distinguishable from each other irrespective of the effects of temperature, size, chemical composition, and grain edges of forsterite in the range of 9-12 μm and 15-20 μm. We thus concluded that the crystallographically anisotropic shape of forsterite can be deduced from peak features in infrared spectra. We also showed that the crystallographically anisotropic shapes formed by evaporation and condensation of forsterite can be distinguished from each other and the temperature condition for evaporation can be evaluated from the peak features. We applied the present results to the infrared spectrum of a protoplanetary disk HD100546 and found that a certain fraction (~25%) of forsterite dust may have experienced high-temperature evaporation (>1600 K).

Predicting glycogen concentration in the foot muscle of abalone using near infrared reflectance spectroscopy (NIRS).

PubMed

Fluckiger, Miriam; Brown, Malcolm R; Ward, Louise R; Moltschaniwskyj, Natalie A

2011-06-15

Near infrared reflectance spectroscopy (NIRS) was used to predict glycogen concentrations in the foot muscle of cultured abalone. NIR spectra of live, shucked and freeze-dried abalones were modelled against chemically measured glycogen data (range: 0.77-40.9% of dry weight (DW)) using partial least squares (PLS) regression. The calibration models were then used to predict glycogen concentrations of test abalone samples and model robustness was assessed from coefficient of determination of the validation (R2(val)) and standard error of prediction (SEP) values. The model for freeze-dried abalone gave the best prediction (R2(val) 0.97, SEP=1.71), making it suitable for quantifying glycogen. Models for live and shucked abalones had R2(val) of 0.86 and 0.90, and SEP of 3.46 and 3.07 respectively, making them suitable for producing estimations of glycogen concentration. As glycogen is a taste-active component associated with palatability in abalone, this study demonstrated the potential of NIRS as a rapid method to monitor the factors associated with abalone quality. Copyright © 2011 Elsevier Ltd. All rights reserved.

Dual beam photoacoustic infrared spectroscopy of solids using an external cavity quantum cascade laser.

PubMed

Dehghany, M; Michaelian, K H

2012-06-01

Quantum cascade laser-based instrumentation for dual beam photoacoustic (PA) spectroscopy is described in this article. Experimental equipment includes a 4.55 μm (2141-2265 cm(-1)) continuous wave external cavity quantum cascade laser (EC-QCL), two gas-microphone PA cells, and two lock-in amplifiers. Correction for the time and wavenumber dependence of the laser output is effected through real-time division of the PA signals derived from the sample and reference channels. Source-compensated mid-infrared absorption spectra of carbon black powder and aromatic hydrocarbon solids were obtained to confirm the reliability of the method. Absorption maxima in the EC-QCL PA spectra of hydrocarbons are better defined than those in Fourier transform infrared spectra acquired under similar conditions, enabling the detection of several previously unknown bands.

Quantification of bovine immunoglobulin G using transmission and attenuated total reflectance infrared spectroscopy.

PubMed

Elsohaby, Ibrahim; McClure, J Trenton; Riley, Christopher B; Shaw, R Anthony; Keefe, Gregory P

2016-01-01

In this study, we evaluated and compared the performance of transmission and attenuated total reflectance (ATR) infrared (IR) spectroscopic methods (in combination with quantification algorithms previously developed using partial least squares regression) for the rapid measurement of bovine serum immunoglobulin G (IgG) concentration, and detection of failure of transfer of passive immunity (FTPI) in dairy calves. Serum samples (n = 200) were collected from Holstein calves 1-11 days of age. Serum IgG concentrations were measured by the reference method of radial immunodiffusion (RID) assay, transmission IR (TIR) and ATR-IR spectroscopy-based assays. The mean IgG concentration measured by RID was 17.22 g/L (SD ±9.60). The mean IgG concentrations predicted by TIR and ATR-IR spectroscopy methods were 15.60 g/L (SD ±8.15) and 15.94 g/L (SD ±8.66), respectively. RID IgG concentrations were positively correlated with IgG levels predicted by TIR (r = 0.94) and ATR-IR (r = 0.92). The correlation between 2 IR spectroscopic methods was 0.94. Using an IgG concentration <10 g/L as the cut-point for FTPI cases, the overall agreement between TIR and ATR-IR methods was 94%, with a corresponding kappa value of 0.84. The sensitivity, specificity, positive predictive value, negative predictive value, and accuracy for identifying FTPI by TIR were 0.87, 0.97, 0.91, 0.95, and 0.94, respectively. Corresponding values for ATR-IR were 0.87, 0.95, 0.86, 0.95, and 0.93, respectively. Both TIR and ATR-IR spectroscopic approaches can be used for rapid quantification of IgG level in neonatal bovine serum and for diagnosis of FTPI in dairy calves. © 2015 The Author(s).

Collision-Induced Infrared Absorption by Collisional Complexes in Dense Hydrogen-Helium Gas Mixtures at Thousands of Kelvin

NASA Astrophysics Data System (ADS)

Abel, Martin; Frommhold, Lothar; Li, Xiaoping; Hunt, Katharine L. C.

2011-06-01

The interaction-induced absorption by collisional pairs of H{_2} molecules is an important opacity source in the atmospheres of the outer planets and cool stars. The emission spectra of cool white dwarf stars differ significantly in the infrared from the expected blackbody spectra of their cores, which is largely due to absorption by collisional H{_2}-H{_2}, H{_2}-He, and H{_2}-H complexes in the stellar atmospheres. Using quantum-chemical methods we compute the atmospheric absorption from hundreds to thousands of kelvin. Laboratory measurements of interaction-induced absorption spectra by H{_2} pairs exist only at room temperature and below. We show that our results reproduce these measurements closely, so that our computational data permit reliable modeling of stellar atmosphere opacities even for the higher temperatures. L. Frommhold, Collision-Induced Absorption in Gases, Cambridge University Press, Cambridge, New York, 1993 and 2006 Xiaoping Li, Katharine L. C. Hunt, Fei Wang, Martin Abel, and Lothar Frommhold, "Collision-Induced Infrared Absorption by Molecular Hydrogen Pairs at Thousands of Kelvin", International Journal of Spectroscopy, vol. 2010, Article ID 371201, 11 pages, 2010. doi: 10.1155/2010/371201 M. Abel, L. Frommhold, X. Li, and K. L. C. Hunt, "Collision-induced absorption by H{_2} pairs: From hundreds to thousands of Kelvin," J. Phys. Chem. A, published online, DOI: 10.1021/jp109441f L. Frommhold, M. Abel, F. Wang, M. Gustafsson, X. Li, and K. L. C. Hunt, "Infrared atmospheric emission and absorption by simple molecular complexes, from first principles", Mol. Phys. 108, 2265, 2010

Two-crystal mid-infrared optical parametric oscillator for absorption and dispersion dual-comb spectroscopy.

PubMed

Jin, Yuwei; Cristescu, Simona M; Harren, Frans J M; Mandon, Julien

2014-06-01

We present a femtosecond optical parametric oscillator (OPO) containing two magnesium-doped periodically poled lithium niobate crystals in a singly resonant ring cavity, pumped by two mode-locked Yb-fiber lasers. As such, the OPO generates two idler combs (up to 220 mW), covering a wavelength range from 2.7 to 4.2 μm, from which a mid-infrared dual-comb Fourier transform spectrometer is constructed. By detecting the heterodyning signal between the two idler beams a full broadband spectrum of a molecular gas can be observed over 250  cm(-1) within 70 μs with a spectral resolution of 15 GHz. The absorption and dispersion spectra of acetylene and methane have been measured around 3000  cm(-1), indicating that this OPO represents an ideal broadband mid-infrared source for fast chemical sensing.

High-temperature multipass cell for infrared spectroscopy of heated gases and vapors.

PubMed

Bartlome, R; Baer, M; Sigrist, M W

2007-01-01

In absorption spectroscopy, infrared spectra of heated gases or condensed samples in the vapor phase are usually recorded with a single pass heated gas cell. This device exhibits two orders of magnitude lower sensitivity than the high-temperature multipass cell presented in this article. Our device is a novel type of compact long path absorption cell that can withstand aggressive chemicals in addition to temperatures up to 723 K. The construction of the cell and its technical features are described in detail, paying special attention to the mechanisms that compensate for thermal expansion and that allow the user to vary the optical path length under any thermal or vacuum condition. The cell may be used with a laser source or implemented within a Fourier transform infrared spectrometer. Its design is compatible with optical arrangements using astigmatic mirrors or spherical mirrors in a Herriott configuration. Here we implement a homebuilt Herriott-type cell with a total optical path length of up to 35 m. In order to demonstrate the feasibility of the cell, methane and water vapor absorption lines showing dissimilar temperature effects on line intensity were recorded with the help of a mid-infrared laser source tunable between 3 and 4 microm. Emphasis is put on lines that are too weak to be recorded with a single pass cell.

Detection and quantification of anionic detergent (lissapol) in milk using attenuated total reflectance-Fourier Transform Infrared spectroscopy.

PubMed

Jaiswal, Pranita; Jha, Shyam Narayan; Kaur, Jaspreet; Borah, Anjan

2017-04-15

Adulteration of milk to gain economic benefit is rampant. Addition of detergent in milk can cause food poisoning and other complications. Fourier Transform Infrared spectroscopy was evaluated as rapid method for detection and quantification of anionic detergent (lissapol) in milk. Spectra of pure and artificially adulterated milk (0.2-2.0% detergent) samples revealed clear differences in wavenumber range of 4000-500cm -1 . The apparent variations observed in region of 1600-995 and 3040-2851cm -1 corresponds to absorption frequencies of common constituents of detergent (linear alkyl benzene sulphonate). Principal component analysis showed discrete clustering of samples based on level of detergent (p⩽0.05) in milk. The classification efficiency for test samples were recorded to be >93% using Soft Independent Modelling of Class Analogy approach. Maximum coefficient of determination for prediction of detergent was 0.94 for calibration and 0.93 for validation, using partial least square regression in wavenumber combination of 1086-1056, 1343-1333, 1507-1456, 3040-2851cm -1 . Copyright © 2016 Elsevier Ltd. All rights reserved.

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.

[Alfalfa quality evaluation in the field by near-infrared reflectance spectroscopy].

PubMed

Xu, Rui-Xuan; Li, Dong-Ning; Yang, Dong-Hai; Lin, Jian-Hai; Xiang, Min; Zhang, Ying-Jun

2013-11-01

To explore the feasibility of using near-infrared reflectance spectroscopy (NIRS) to evaluate alfalfa quality rapidly in the field and try to find the appropriate machine and sample preparation method, the representative population of 170 fresh alfalfa samples collected from different regions with different stages and different cuts were scanned by a portable NIRS spectrometer (1 100 - 1 800 nm). This is the first time to build models of fresh alfalfa to rapidly estimate quality in the field for harvesting in time. The calibrations of dry matter (DM), crude protein (CP), neutral detergent fiber (NDF) and acid detergent fiber (ADF) were developed through the partial least squares regression (PLS). The determination coefficients of cross-validation (R2((CV)) were 0.831 4, 0.597 9, 0.803 6, 0.786 1 for DM, CP, NDF, ADF, respectively; the root mean standard error of cross-validation (RMSECV) were 1.241 1, 0.261 4, 0.990 3, 0.830 6; The determination coefficients of validation (R2(V)) were 0.815 0, 0.401 1, 0.784 9, 0.752 1 and the root mean standard errors of validation(RMSEP)were 1.06, 0.31, 0.95, 0.80 for DM, CP, NDF, ADF, respectively. For fresh alfalfa ,the calibration of DM, NDF, ADF can do rough quantitative analysis but the CP's calibration is failed. however, as CP in alfalfa hay is enough for animal and the DM, NDF and ADF is the crucial indicator for evaluating havest time, the model of DM, NDF and ADF can be used for evaluating the alfalfa quality rapidly in the field.

Reflectance Spectroscopy | Photovoltaic Research | NREL

Science.gov Websites

Reflectance Spectroscopy Reflectance Spectroscopy In a fraction of a second, the photovoltaic (PV metallization properties. PV Research Other Measurements pages: Device Performance Analytical Microscopy & directly normal. The reflectance measurement uses a principle of reciprocity Schematic of the PV

Adaptive infrared-reflecting systems inspired by cephalopods

NASA Astrophysics Data System (ADS)

Xu, Chengyi; Stiubianu, George T.; Gorodetsky, Alon A.

2018-03-01

Materials and systems that statically reflect radiation in the infrared region of the electromagnetic spectrum underpin the performance of many entrenched technologies, including building insulation, energy-conserving windows, spacecraft components, electronics shielding, container packaging, protective clothing, and camouflage platforms. The development of their adaptive variants, in which the infrared-reflecting properties dynamically change in response to external stimuli, has emerged as an important unmet scientific challenge. By drawing inspiration from cephalopod skin, we developed adaptive infrared-reflecting platforms that feature a simple actuation mechanism, low working temperature, tunable spectral range, weak angular dependence, fast response, stability to repeated cycling, amenability to patterning and multiplexing, autonomous operation, robust mechanical properties, and straightforward manufacturability. Our findings may open opportunities for infrared camouflage and other technologies that regulate infrared radiation.

Penetration depth of photons in biological tissues from hyperspectral imaging in shortwave infrared in transmission and reflection geometries.

PubMed

Zhang, Hairong; Salo, Daniel; Kim, David M; Komarov, Sergey; Tai, Yuan-Chuan; Berezin, Mikhail Y

2016-12-01

Measurement of photon penetration in biological tissues is a central theme in optical imaging. A great number of endogenous tissue factors such as absorption, scattering, and anisotropy affect the path of photons in tissue, making it difficult to predict the penetration depth at different wavelengths. Traditional studies evaluating photon penetration at different wavelengths are focused on tissue spectroscopy that does not take into account the heterogeneity within the sample. This is especially critical in shortwave infrared where the individual vibration-based absorption properties of the tissue molecules are affected by nearby tissue components. We have explored the depth penetration in biological tissues from 900 to 1650 nm using Monte–Carlo simulation and a hyperspectral imaging system with Michelson spatial contrast as a metric of light penetration. Chromatic aberration-free hyperspectral images in transmission and reflection geometries were collected with a spectral resolution of 5.27 nm and a total acquisition time of 3 min. Relatively short recording time minimized artifacts from sample drying. Results from both transmission and reflection geometries consistently revealed that the highest spatial contrast in the wavelength range for deep tissue lies within 1300 to 1375 nm; however, in heavily pigmented tissue such as the liver, the range 1550 to 1600 nm is also prominent.

Application of attenuated total reflectance Fourier transform infrared spectroscopy for determination of cefixime in oral pharmaceutical formulations.

PubMed

Kandhro, Aftab A; Laghari, Abdul Hafeez; Mahesar, Sarfaraz A; Saleem, Rubina; Nelofar, Aisha; Khan, Salman Tariq; Sherazi, S T H

2013-11-01

A quick and reliable analytical method for the quantitative assessment of cefixime in orally administered pharmaceutical formulations is developed by using diamond cell attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy as an easy procedure for quality control laboratories. The standards for calibration were prepared in aqueous medium ranging from 350 to 6000mg/kg. The calibration model was developed based on partial least square (PLS) using finger print region of FT-IR spectrum in the range from 1485 to 887cm(-1). Excellent coefficient of determination (R(2)) was achieved as high as 0.99976 with root mean square error of 44.8 for calibration. The application of diamond cell (smart accessory) ATR FT-IR proves a reliable determination of cefixime in pharmaceutical formulations to assess the quality of the final product. Copyright © 2013 Elsevier B.V. All rights reserved.

Catalytic Activity and Proton Translocation of Reconstituted Respiratory Complex I Monitored by Surface-Enhanced Infrared Absorption Spectroscopy.

PubMed

Gutiérrez-Sanz, Oscar; Forbrig, Enrico; Batista, Ana P; Pereira, Manuela M; Salewski, Johannes; Mroginski, Maria A; Götz, Robert; De Lacey, Antonio L; Kozuch, Jacek; Zebger, Ingo

2018-05-22

Respiratory complex I (CpI) is a key player in the way organisms obtain energy, being an energy transducer, which couples nicotinamide adenine dinucleotide (NADH)/quinone oxidoreduction with proton translocation by a mechanism that remains elusive so far. In this work, we monitored the function of CpI in a biomimetic, supported lipid membrane system assembled on a 4-aminothiophenol (4-ATP) self-assembled monolayer by surface-enhanced infrared absorption spectroscopy. 4-ATP serves not only as a linker molecule to a nanostructured gold surface but also as pH sensor, as indicated by concomitant density functional theory calculations. In this way, we were able to monitor NADH/quinone oxidoreduction-induced transmembrane proton translocation via the protonation state of 4-ATP, depending on the net orientation of CpI molecules induced by two complementary approaches. An associated change of the amide I/amide II band intensity ratio indicates conformational modifications upon catalysis which may involve movements of transmembrane helices or other secondary structural elements, as suggested in the literature [ Di Luca , Proc. Natl. Acad. Sci. U.S.A. , 2017 , 114 , E6314 - E6321 ].

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.

Variable Temperature Infrared Spectroscopy Investigation of Benzoic Acid Interactions with Montmorillonite Clay Interlayer Water.

PubMed

Nickels, Tara M; Ingram, Audrey L; Maraoulaite, Dalia K; White, Robert L

2015-07-01

Molecular interactions between benzoic acid and cations and water contained in montmorillonite clay interlayer spaces are characterized by using variable temperature diffuse reflection infrared Fourier transform spectroscopy (VT-DRIFTS). Using sample perturbation and difference spectroscopy, infrared spectral changes resulting from removal of interlayer water and associated changes in local benzoic acid environments are identified. Difference spectra features can be correlated with changes in specific molecular vibrations that are characteristic of benzoic acid molecular orientation. Results suggest that the carboxylic acid functionality of benzoic acid interacts with interlayer cations through a bridging water molecule and that this interaction is affected by the nature of the cation present in the clay interlayer space.

Comparison of visible and near infrared reflectance spectroscopy on fat to authenticate dietary history of lambs.

PubMed

Huang, Y; Andueza, D; de Oliveira, L; Zawadzki, F; Prache, S

2015-11-01

Since consumers are showing increased interest in the origin and method of production of their food, it is important to be able to authenticate dietary history of animals by rapid and robust methods used in the ruminant products. Promising breakthroughs have been made in the use of spectroscopic methods on fat to discriminate pasture-fed and concentrate-fed lambs. However, questions remained on their discriminatory ability in more complex feeding conditions, such as concentrate-finishing after pasture-feeding. We compared the ability of visible reflectance spectroscopy (Vis RS, wavelength range: 400 to 700 nm) with that of visible-near-infrared reflectance spectroscopy (Vis-NIR RS, wavelength range: 400 to 2500 nm) to differentiate between carcasses of lambs reared with three feeding regimes, using partial least square discriminant analysis (PLS-DA) as a classification method. The sample set comprised perirenal fat of Romane male lambs fattened at pasture (P, n = 69), stall-fattened indoors on commercial concentrate and straw (S, n = 55) and finished indoors with concentrate and straw for 28 days after pasture-feeding (PS, n = 65). The overall correct classification rate was better for Vis-NIR RS than for Vis RS (99.0% v. 95.1%, P < 0.05). Vis-NIR RS allowed a correct classification rate of 98.6%, 100.0% and 98.5% for P, S and PS lambs, respectively, whereas Vis RS allowed a correct classification rate of 98.6%, 94.5% and 92.3% for P, S and PS lambs, respectively. This study suggests the likely implication of molecules absorbing light in the non-visible part of the Vis-NIR spectra (possibly fatty acids), together with carotenoid and haem pigments, in the discrimination of the three feeding regimes.

Surface layering and melting in an ionic liquid studied by resonant soft X-ray reflectivity

PubMed Central

Mezger, Markus; Ocko, Benjamin M.; Reichert, Harald; Deutsch, Moshe

2013-01-01

The molecular-scale structure of the ionic liquid [C18mim]+[FAP]− near its free surface was studied by complementary methods. X-ray absorption spectroscopy and resonant soft X-ray reflectivity revealed a depth-decaying near-surface layering. Element-specific interfacial profiles were extracted with submolecular resolution from energy-dependent soft X-ray reflectivity data. Temperature-dependent hard X-ray reflectivity, small- and wide-angle X-ray scattering, and infrared spectroscopy uncovered an intriguing melting mechanism for the layered region, where alkyl chain melting drove a negative thermal expansion of the surface layer spacing. PMID:23431181

[Application of near infrared spectroscopy technology (NIRS) in forage field].

PubMed

Yan, Xu; Bai, Shi-Qie; Yan, Jia-Jun; Gan, You-Min; Dao, Zhi-Xue

2012-07-01

The majority of nutrients in ruminants and other herbivores come from forages. Forage quality not only affects the growth and production efficiency of livestock, but also determines the final output and quality of livestock products. Forage quality mainly depends on nutrient concentrations and their digestibility, palatability and the level of presence of antiquality factors and mycotoxins in forage. Near infrared reflectance spectroscopy (NIRS) has been widely used in many research areas because it is a inexpensive, rapid, simple and nondestructive technique offering the potential for qualitative and quantitative analysis. The present paper briefly introduces the principle and characteristics of NIRS, detailedly expounds the application of NIRS in forage quality. In addition, other applications of near infrared spectroscopy technique in forage are also discussed, including forage breeding, identification of variety and classification by kind. This paper comprehensively reviews the status quo of application of NIRS in forage filed, in order to contribute to promoting development of NIRS in this field in China.

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

PubMed

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

2018-06-05

The present paper deals with the physiological response of the changes in chemical contents of the root, stem and leaf of Arundo donax seedlings stressed by excess cadmium using Fourier transform infrared spectroscopy technique, cadmium accumulation in plant by atomic absorption spectroscopy were tested after different concentrations cadmium stress. The results showed that low cadmium concentrations (<1.0mg/L) the root tissue of Arundo donax uses osmosis of organic substances (e.g. carbohydrates and amino acids) to improve cadmium tolerance. Organic substances (e.g. carbohydrates) that contain a lot of OH in leaf were transported to the root firstly and then could chelate cadmium, but no obvious changes in stems were noted. The cadmium in the shoots (stem and leaf) usually increased with increasing cadmium concentration. These studies demonstrate the potential of Fourier transform infrared spectroscopy technique for the non-invasive and rapid monitoring of the plants stressed with heavy metals, Arundo donax is suitable for phytoremediation of cadmium -contaminated wetland. Copyright © 2018 Elsevier B.V. All rights reserved.

Wide angle and narrow-band asymmetric absorption in visible and near-infrared regime through lossy Bragg stacks

PubMed Central

Shu, Shiwei; Zhan, Yawen; Lee, Chris; Lu, Jian; Li, Yang Yang

2016-01-01

Absorber is an important component in various optical devices. Here we report a novel type of asymmetric absorber in the visible and near-infrared spectrum which is based on lossy Bragg stacks. The lossy Bragg stacks can achieve near-perfect absorption at one side and high reflection at the other within the narrow bands (several nm) of resonance wavelengths, whereas display almost identical absorption/reflection responses for the rest of the spectrum. Meanwhile, this interesting wavelength-selective asymmetric absorption behavior persists for wide angles, does not depend on polarization, and can be ascribed to the lossy characteristics of the Bragg stacks. Moreover, interesting Fano resonance with easily tailorable peak profiles can be realized using the lossy Bragg stacks. PMID:27251768

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.

From selenium- to tellurium-based glass optical fibers for infrared spectroscopies.

PubMed

Cui, Shuo; Chahal, Radwan; Boussard-Plédel, Catherine; Nazabal, Virginie; Doualan, Jean-Louis; Troles, Johann; Lucas, Jacques; Bureau, Bruno

2013-05-10

Chalcogenide glasses are based on sulfur, selenium and tellurium elements, and have been studied for several decades regarding different applications. Among them, selenide glasses exhibit excellent infrared transmission in the 1 to 15 µm region. Due to their good thermo-mechanical properties, these glasses could be easily shaped into optical devices such as lenses and optical fibers. During the past decade of research, selenide glass fibers have been proved to be suitable for infrared sensing in an original spectroscopic method named Fiber Evanescent Wave Spectroscopy (FEWS). FEWS has provided very nice and promising results, for example for medical diagnosis. Then, some sophisticated fibers, also based on selenide glasses, were developed: rare-earth doped fibers and microstructured fibers. In parallel, the study of telluride glasses, which can have transmission up to 28 µm due to its atom heaviness, has been intensified thanks to the DARWIN mission led by the European Space Agency (ESA). The development of telluride glass fiber enables a successful observation of CO₂ absorption band located around 15 µm. In this paper we review recent results obtained in the Glass and Ceramics Laboratory at Rennes on the development of selenide to telluride glass optical fibers, and their use for spectroscopy from the mid to the far infrared ranges.

Classification and identification of Rhodobryum roseum Limpr. and its adulterants based on fourier-transform infrared spectroscopy (FTIR) and chemometrics.

PubMed

Cao, Zhen; Wang, Zhenjie; Shang, Zhonglin; Zhao, Jiancheng

2017-01-01

Fourier-transform infrared spectroscopy (FTIR) with the attenuated total reflectance technique was used to identify Rhodobryum roseum from its four adulterants. The FTIR spectra of six samples in the range from 4000 cm-1 to 600 cm-1 were obtained. The second-derivative transformation test was used to identify the small and nearby absorption peaks. A cluster analysis was performed to classify the spectra in a dendrogram based on the spectral similarity. Principal component analysis (PCA) was used to classify the species of six moss samples. A cluster analysis with PCA was used to identify different genera. However, some species of the same genus exhibited highly similar chemical components and FTIR spectra. Fourier self-deconvolution and discrete wavelet transform (DWT) were used to enhance the differences among the species with similar chemical components and FTIR spectra. Three scales were selected as the feature-extracting space in the DWT domain. The results show that FTIR spectroscopy with chemometrics is suitable for identifying Rhodobryum roseum and its adulterants.

Infrared heterodyne spectroscopy of atmospheric ozone

NASA Technical Reports Server (NTRS)

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

1977-01-01

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

[The Research for Trace Ammonia Escape Monitoring System Based on Tunable Diode Laser Absorption Spectroscopy].

PubMed

Zhang, Li-fang; Wang, Fei; Yu, Li-bin; Yan, Jian-hua; Cen, Ke-fa

2015-06-01

In order to on-line measure the trace ammonia slip of the commercial power plant in the future, this research seeks to measure the trace ammonia by using tunable diode laser absorption spectroscopy under ambient temperature and pressure, and at different temperatures, and the measuring temperature is about 650 K in the power plant. In recent years lasers have become commercially available in the near-infrared where the transitions are much stronger, and ammonia's spectroscopy is pretty complicated and the overlapping lines are difficult to resolve. A group of ammonia transitions near 4 433.5 cm(-1) in the v2 +v3 combination band have been thoroughly selected for detecting lower concentration by analyzing its absorption characteristic and considering other absorption interference in combustion gases where H2O and CO2 mole fraction are very large. To illustrate the potential for NH3 concentration measurements, predictions for NH3, H2O and CO2 are simultaneously simulated, NH3 absorption lines near 4 433.5 cm(-1) wavelength meet weaker H2O absorption than the commercial NH3 lines, and there is almost no CO2 absorption, all the parameters are based on the HITRAN database, and an improved detection limit was obtained for interference-free NH3 monitoring, this 2.25 μm band has line strengths several times larger than absorption lines in the 1.53 μm band which was often used by NH3 sensors for emission monitoring and analyzing. The measurement system was developed with a new Herriott cell and a heated gas cell realizing fast absorption measurements of high resolution, and combined with direct absorption and wavelenguh modulation based on tunable diode laser absorption spectroscopy at different temperatures. The lorentzian line shape is dominant at ambient temperature and pressure, and the estimated detectivity is approximately 0.225 x 10(-6) (SNR = 1) for the directed absorption spectroscopy, assuming a noise-equivalent absorbance of 1 x 10(-4). The heated cell

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.

Applications of fourier transform infrared spectroscopy to surface analysis problems 2. Revision 1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, G.L.; Milosevic, M.

Applications of infrared spectroscopy to surface analysis are described in terms of the combined use of a number of techniques to solve specific surface analysis problems involving both qualitative and quantitative analysis of surface species. Emphasis is placed on the characterization of both the substrate and the surface species and the application of this to the monitoring of surface processes and the inspection of manufactured items. Lithium Hydride has been studied using remote analysis by diffuse reflectance in glove boxes containing very pure argon or controlled moisture levels with robot-operated gravimetric monitoring. These experiments are supported by internal reflectance andmore » diffuse reflectance measurements in spectrometer sample compartments to characterize the reactants. Beryllium oxide has been studied using an evacuable diffuse reflectance cell to determine the effects of vacuum baking reexposure to moisture on the surface hydroxyl species. Diffuse reflectance and emission measurements have been used to monitor the curing and reaction of environmental gases with composite materials such as graphite-expoxy structures. A direct comparison of diffuse reflectance and emission spectra was done using a barrel ellipsoid diffuse reflectance/emission detector and Spectropus optical transfer system. Grazing-incidence external-reflectance with p-polarized light was used to study the oxidation in room air of polished uranium coupons. The absorption band at 570 cm{sup {minus}1} was used to monitor the extent of oxidation with a resolution of approximately one monolayer of UO{sub 2} and to distinguish the parabolic, linear, and breakaway corrosion domains. External reflectance is compared with diffuse reflectance as a method for stain analysis and for measuring the effects of H{sub 2}O in UO{sub 2} corrosion films.« less

Infrared differential absorption for atmospheric pollutant detection

NASA Technical Reports Server (NTRS)

Byer, R. L.

1974-01-01

Progress made in the generation of tunable infrared radiation and its application to remote pollutant detection by the differential absorption method are summarized. It is recognized that future remote pollutant measurements depended critically on the availability of high energy tunable transmitters. Futhermore, due to eye safety requirements, the transmitted frequency must lie in the 1.4 micron to 13 micron infrared spectral range.

Properties of seismic absorption induced reflections

NASA Astrophysics Data System (ADS)

Zhao, Haixia; Gao, Jinghuai; Peng, Jigen

2018-05-01

Seismic reflections at an interface are often regarded as the variation of the acoustic impedance (product of seismic velocity and density) in a medium. In fact, they can also be generated due to the difference in absorption of the seismic energy. In this paper, we investigate the properties of such reflections. Based on the diffusive-viscous wave equation and elastic diffusive-viscous wave equation, we investigate the dependency of the reflection coefficients on frequency, and their variations with incident angles. Numerical results at a boundary due to absorption contrasts are compared with those resulted from acoustic impedance variation. It is found that, the reflection coefficients resulted from absorption depend significantly on the frequency especially at lower frequencies, but vary very slowly at small incident angles. At the higher frequencies, the reflection coefficients of diffusive-viscous wave and elastic diffusive-viscous wave are close to those of acoustic and elastic cases, respectively. On the other hand, the reflections caused by acoustic impedance variation are independent of frequency but vary distinctly with incident angles before the critical angle. We also investigate the difference between the seismograms generated in the two different media. The numerical results show that the amplitudes of these reflected waves are attenuated and their phases are shifted. However, the reflections obtained by acoustic impedance contrast, show no significant amplitude attenuation and phase shift.

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.

Ultra-sensing with slit-enhanced infrared spectroscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Mayerhöfer, Thomas G.; Knipper, Richard; Hübner, Uwe; Cialla-May, Dana; Weber, Karina; Popp, Jürgen

2017-02-01

Infrared spectroscopy enables the label-free detection of structure specific fingerprints of analytes. The sensitivity of corresponding methods can strongly be enhanced by attaching analytes on plasmonic active surfaces. We introduce a slit array metamaterial perfect absorber (SAMPA) [1] consisting of a dielectric layer sandwiched between two Au layers of which the upper layer is perforated with a periodic array of slits. This structure combines the principle of Extraordinary Optical Transmission (more light is transmitted through a hole than is incident on its surface) with that of Perfect Absorption (reflectance and transmittance are virtually zero). Accordingly, within the slights the electric fields are strongly enhanced and light-matter interaction is correspondingly greatly amplified. Thus, already small concentrations of analytes down to a monolayer can be detected and identified by their spectral fingerprints with a standard mid-infrared spectrometer. Closely related to the SAMPAs are plasmonic slit absorbers, which simply consist of slit arrays in thin gold layers deposited on a layer of Si3N4.[2] These slit arrays operate like unstructured gold layers if the incident light is polarized parallel to the long slit axes. In contrast, for light polarized perpendicular to the long slit axis, the plasmon is excited. By the introduction of a second slit, which is rotated relative to the first slit, both principal polarization states excite plasmon resonances which can be made to differ in wavelength. As a consequence, the operating wavelength range of this slit array can be tuned by adjusting the polarization state of the incoming light. [1] Mayerhöfer, T.G., et al.. ACS Photonics, 2015. 2(11): p. 1567-1575. [2] Knipper, R., et. al., in preparation.

Estimation of soil pH at Mount Beigu Wetland based on visible and near infrared reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Hu, Yongguang; Li, Pingping; Mao, Hanping; Chen, Bin; Wang, Xi

2006-12-01

pH of the wetland soil is one of the most important indicators for aquatic vegetation and water bodies. Mount Beigu Wetland, just near the Yangtse River, is under ecological recovery. Visible and near infrared reflectance spectroscopy was adopted to estimate soil pH of the wetland. The spectroradiometer, FieldSpec 3 (ASD) with a full spectral range (350-2500 nm), was used to acquire the reflectance spectra of wetland soil, and soil pH was measured with the pH meter of IQ150 (Spectrum) and InPro 3030 (Mettler Toledo). 146 soil samples were taken with soil sampler (Eijkelkamp) according to different position and depth, which covered the wider range of pH value from 7.1 to 8.39. 133 samples were used to establish the calibration model with the method of partial least square regression and principal component analysis regression. 13 soil samples were used to validate the model. The results show that the model is not good, but the mean error and root mean standard error of prediction are less (1.846% and 0.186 respectively). Spectral reflectancebased estimation of soil pH of the wetland is applicable and the calibration model needs to be improved.

Artificial neural networks for retrieving absorption and reduced scattering spectra from frequency-domain diffuse reflectance spectroscopy at short source-detector separation

PubMed Central

Chen, Yu-Wen; Chen, Chien-Chih; Huang, Po-Jung; Tseng, Sheng-Hao

2016-01-01

Diffuse reflectance spectroscopy (DRS) based on the frequency-domain (FD) technique has been employed to investigate the optical properties of deep tissues such as breast and brain using source to detector separation up to 40 mm. Due to the modeling and system limitations, efficient and precise determination of turbid sample optical properties from the FD diffuse reflectance acquired at a source-detector separation (SDS) of around 1 mm has not been demonstrated. In this study, we revealed that at SDS of 1 mm, acquiring FD diffuse reflectance at multiple frequencies is necessary for alleviating the influence of inevitable measurement uncertainty on the optical property recovery accuracy. Furthermore, we developed artificial neural networks (ANNs) trained by Monte Carlo simulation generated databases that were capable of efficiently determining FD reflectance at multiple frequencies. The ANNs could work in conjunction with a least-square optimization algorithm to rapidly (within 1 second), accurately (within 10%) quantify the sample optical properties from FD reflectance measured at SDS of 1 mm. In addition, we demonstrated that incorporating the steady-state apparatus into the FD DRS system with 1 mm SDS would enable obtaining broadband absorption and reduced scattering spectra of turbid samples in the wavelength range from 650 to 1000 nm. PMID:27446671

Probing photochromic properties by correlation of UV-visible and infra-red absorption spectroscopy: a case study with cis-1,2-dicyano-1,2-bis(2,4,5-trimethyl-3-thienyl)ethene.

PubMed

Spangenberg, Arnaud; Piedras Perez, Jose Alejandro; Patra, Abhijit; Piard, Jonathan; Brosseau, Arnaud; Métivier, Rémi; Nakatani, Keitaro

2010-02-01

Quantification of the relative composition of the isomers in a photochromic system at any irradiation time interval is a critical issue in determining absolute quantum yields. For this purpose, we have developed a simple and convenient protocol involving combination of UV-visible and infra-red absorption spectroscopy. Photochromic cyclization reaction of cis-l,2-dicyano-l,2-bis(2,4,5-trimethyl-3-thieny1)ethene (CMTE) is analyzed to demonstrate the efficiency of the proposed methodology. This approach is based on the fact that the two isomers show distinctive infra-red bands. Detailed investigations of the UV-visible and infra-red spectra of the mixture obtained at different irradiation times in CCl(4) supported by quantum chemical computations lead to the unambiguous estimation of molar absorption coefficients of the closed isomer (epsilon(CF) = 4650 L mol(-1) cm(-1) at 512 nm). It facilitates the first determination of absolute quantum yields of this reversible photochromic reaction in CCl(4) by fitting the UV-visible spectral data (Phi(OF-->CF) = 0.41 +/- 0.05 and Phi(CF-->OF) = 0.12 +/- 0.02 at 405 nm and 546 nm, respectively).

Composite Reflective Absorptive IR-Blocking Filters Embedded in Metamaterial Antireflection Coated Silicon

NASA Technical Reports Server (NTRS)

Munson, C. D.; Choi, S. K.; Coughlin, K. P.; McMahon, J. J.; Miller, K. H.; Page, L. A.; Wollack, E. J.

2017-01-01

Infrared (IR)-blocking filters are crucial for controlling the radiative loading on cryogenic systems and for optimizing the sensitivity of bolometric detectors in the far-IR. We present a new IR filter approach based on a combination of patterned frequency-selective structures on silicon and a thin (2575 micron thick) absorptive composite based on powdered reststrahlen absorbing materials. For a 300 K blackbody, this combination reflects approximately 50% of the incoming light and blocks greater than.99.8% of the total power with negligible thermal gradients and excellent low-frequency transmission. This allows a reduction in the IR thermal loading to negligible levels in a single cold filter. These composite filters are fabricated on silicon substrates, which provide excellent thermal transport laterally through the filter and ensure that the entire area of the absorptive filter stays near the bath temperature. A metamaterial antireflection coating cut into these substrates reduces in-band reflections to below 1%, and the in-band absorption of the powder mix is below 1% for signal bands below 750 GHz. This type of filter can be directly incorporated into silicon refractive optical elements.

Non-invasive characterization of colorants by portable diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and chemometrics

NASA Astrophysics Data System (ADS)

Manfredi, Marcello; Barberis, Elettra; Aceto, Maurizio; Marengo, Emilio

2017-06-01

During the last years the need for non-invasive and non-destructive analytical methods brought to the development and application of new instrumentation and analytical methods for the in-situ analysis of cultural heritage objects. In this work we present the application of a portable diffuse reflectance infrared Fourier transform (DRIFT) method for the non-invasive characterization of colorants prepared according to ancient recipes and using egg white and Gum Arabic as binders. Approximately 50 colorants were analyzed with the DRIFT spectroscopy: we were able to identify and discriminate the most used yellow (i.e. yellow ochres, Lead-tin Yellow, Orpiment, etc.), red (i.e. red ochres, Hematite) and blue (i.e. Lapis Lazuli, Azurite, indigo) colorants, creating a complete DRIFT spectral library. The Principal Component Analysis-Discriminant Analysis (PCA-DA) was then employed for the colorants classification according to the chemical/mineralogical composition. The DRIFT analysis was also performed on a gouache painting of the artist Sutherland; and the colorants used by the painter were identified directly in-situ and in a non-invasive manner.

A decrease in spatially resolved near-infrared spectroscopy-determined frontal lobe tissue oxygenation by phenylephrine reflects reduced skin blood flow.

PubMed

Ogoh, Shigehiko; Sato, Kohei; Okazaki, Kazunobu; Miyamoto, Tadayoshi; Secher, Frederik; Sørensen, Henrik; Rasmussen, Peter; Secher, Niels H

2014-04-01

Spatially resolved near-infrared spectroscopy-determined frontal lobe tissue oxygenation (ScO2) is reduced with administration of phenylephrine, while cerebral blood flow may remain unaffected. We hypothesized that extracranial vasoconstriction explains the effect of phenylephrine on ScO2. We measured ScO2 and internal and external carotid as well as vertebral artery blood flow in 7 volunteers (25 [SD 4] years) by duplex ultrasonography during IV infusion of phenylephrine, together with middle cerebral artery mean blood velocity, forehead skin blood flow, and mean arterial blood pressure. During phenylephrine infusion, mean arterial blood pressure increased, while ScO2 decreased by -19% ± 3% (mean ± SE; P = 0.0005). External carotid artery (-27.5% ± 3.0%) and skin blood flow (-25.4% ± 7.8%) decreased in response to phenylephrine administration, and there was a relationship between ScO2 and forehead skin blood flow (Pearson r = 0.55, P = 0.042, 95% confidence interval [CI], = 0.025-0.84; Spearman r = 0.81, P < 0.001, 95% CI, 0.49-0.94) and external carotid artery conductance (Pearson r = 0.62, P = 0.019, 95% CI, 0.13 to 0.86; Spearman r = 0.64, P = 0.012, 95% CI, 0.17-0.88). These findings suggest that a phenylephrine-induced decrease in ScO2, as determined by INVOS-4100 near-infrared spectroscopy, reflects vasoconstriction in the extracranial vasculature rather than a decrease in cerebral oxygenation.

Hemodynamic measurements in rat brain and human muscle using diffuse near-infrared absorption and correlation spectroscopies

NASA Astrophysics Data System (ADS)

Yu, Guoqiang; Durduran, Turgut; Furuya, D.; Lech, G.; Zhou, Chao; Chance, Britten; Greenberg, J. H.; Yodh, Arjun G.

2003-07-01

Measurement of concentration, oxygenation, and flow characteristics of blood cells can reveal information about tissue metabolism and functional heterogeneity. An improved multifunctional hybrid system has been built on the basis of our previous hybrid instrument that combines two near-infrared diffuse optical techniques to simultaneously monitor the changes of blood flow, total hemoglobin concentration (THC) and blood oxygen saturation (StO2). Diffuse correlation spectroscopy (DCS) monitors blood flow (BF) by measuring the optical phase shifts caused by moving blood cells, while diffuse photon density wave spectroscopy (DPDW) measures tissue absorption and scattering. Higher spatial resolution, higher data acquisition rate and higher dynamic range of the improved system allow us to monitor rapid hemodynamic changes in rat brain and human muscles. We have designed two probes with different source-detector pairs and different separations for the two types of experiments. A unique non-contact probe mounted on the back of a camera, which allows continuous measurements without altering the blood flow, was employed to in vivo monitor the metabolic responses in rat brain during KCl induced cortical spreading depression (CSD). A contact probe was used to measure changes of blood flow and oxygenation in human muscle during and after cuff occlusion or exercise, where the non-contact probe is not appropriate for monitoring the moving target. The experimental results indicate that our multifunctional hybrid system is capable of in vivo and non-invasive monitoring of the hemodynamic changes in different tissues (smaller tissues in rat brain, larger tissues in human muscle) under different conditions (static versus moving). The time series images of flow during CSD obtained by our technique revealed spatial and temporal hemodynamic changes in rat brain. Two to three fold longer recovery times of flow and oxygenation after cuff occlusion or exercise from calf flexors in a

A comparative study of mid-infrared diffuse reflection (DR) and attenuated total reflection (ATR) spectroscopy for the detection of fungal infection on RWA2-corn.

PubMed

Kos, Gregor; Krska, Rudolf; Lohninger, Hans; Griffiths, Peter R

2004-01-01

An investigation into the rapid detection of mycotoxin-producing fungi on corn by two mid-infrared spectroscopic techniques was undertaken. Corn samples from a single genotype (RWA2, blanks, and contaminated with Fusarium graminearum) were ground, sieved and, after appropriate sample preparation, subjected to mid-infrared spectroscopy using two different accessories (diffuse reflection and attenuated total reflection). The measured spectra were evaluated with principal component analysis (PCA) and the blank and contaminated samples were classified by cluster analysis. Reference data for fungal metabolites were obtained with conventional methods. After extraction and clean-up, each sample was analyzed for the toxin deoxynivalenol (DON) by gas chromatography with electron capture detection (GC-ECD) and ergosterol (a parameter for the total fungal biomass) by high-performance liquid chromatography with diode array detection (HPLC-DAD). The concentration ranges for contaminated samples were 880-3600 microg/kg for ergosterol and 300-2600 microg/kg for DON. Classification efficiency was 100% for ATR spectra. DR spectra did not show as obvious a clustering of contaminated and blank samples. Results and trends were also observed in single spectra plots. Quantification using a PLS1 regression algorithm showed good correlation with DON reference data, but a rather high standard error of prediction (SEP) with 600 microg/kg (DR) and 490 microg/kg (ATR), respectively, for ergosterol. Comparing measurement procedures and results showed advantages for the ATR technique, mainly owing to its ease of use and the easier interpretation of results that were better with respect to classification and quantification.

Noninvasive Study of Explosive Materials by Time Domain Spectroscopy and FTIR

NASA Astrophysics Data System (ADS)

Huang, Feng; Federici, John; Gary, Dale; Barat, Robert; Zimdars, David

2005-04-01

Transmission and reflection spectroscopy in the Terahertz (THz) range (˜ 3 to 0.1 mm) is potentially useful for the detection of explosives and biological agents. This paper describes the use of THz time domain spectroscopy (TDS) applied in transmission to the 1,3,5 trinitro-s-triazine (RDX), C4, Amonium Nitrate, etc. Samples were also subjected to Fourier Transform Infrared (FTIR) spectroscopy over the same range for comparison. General agreement confirms the absorption features found. The nature of THz technology applied in the noninvasive detection of such material is discussed.

Bio-inspired, subwavelength surface structures to control reflectivity, transmission, and scattering in the infrared

NASA Astrophysics Data System (ADS)

Lora Gonzalez, Federico

Controlling the reflection of visible and infrared (IR) light at interfaces is extremely important to increase the power efficiency and performance of optics, electro-optical and (thermo)photovoltaic systems. The eye of the moth has evolved subwavelength protuberances that increase light transmission into the eye tissue and prevent reflection. The subwavelength protuberances effectively grade the refractive index from that of air (n=1) to that of the tissue (n=1.4), making the interface gradual, suppressing reflection. In theory, the moth-eye (ME) structures can be implemented with any material platform to achieve an antireflectance effect by scaling the pitch and size of protuberances for the wavelength range of interest. In this work, a bio-inspired, scalable and substrate-independent surface modification protocol was developed to realize broadband antireflective structures based on the moth-eye principle. Quasi-ordered ME arrays were fabricated in IR relevant materials using a colloidal lithography method to achieve highly efficient, omni-directional transmission of mid and far infrared (IR) radiation. The effect of structure height and aspect ratio on transmittance and scattering is explored, with discussion on experimental techniques and effective medium theory (EMT). The highest aspect ratio structures (AR = 9.4) achieved peak single-side transmittance of 98%, with >85% transmission for lambda = 7--30 microns. A detailed photon balance constructed by transmission, forward scattering, specular reflection and diffuse reflection measurements to quantify optical losses due to near-field effects will be discussed. In addition, angle-dependent transmission measurements showed that moth-eye structures provide superior antireflective properties compared to unstructured interfaces over a wide angular range (0--60° incidence). Finally, subwavelength ME structures are incorporated on a Si substrate to enhance the absorption of near infrared (NIR) light in PtSi films to

Near infrared diffuse reflection and laser-induced fluorescence spectroscopy for myocardial tissue characterisation

NASA Astrophysics Data System (ADS)

Nilsson, A. M. K.; Heinrich, D.; Olajos, J.; Andersson-Engels, S.

1997-10-01

In order to evaluate the potential of cardiovascular tissue characterisation using near-infrared (NIR) spectroscopy, spectra in a previously unexplored wavelength region 0.8-2.3 μm were recorded from various pig heart tissue samples in vitro: normal myocardium (with and without endo/epicardium), aorta, fatty and fibrous heart tissue. The spectra were analysed with principal component analysis (PCA), revealing several spectroscopically characteristic features enabling tissue classification. Several of the identified spectral features could be attributed to specific tissue constituents by comparing the tissue signals with spectra obtained from water, elastin, collagen and cholesterol as well as with published data. The results obtained with the NIR spectroscopy technique in terms of its potential to classify different tissue types were compared with those from laser-induced fluorescence (LIF) using 337 nm excitation. LIF and NIR spectroscopy can in combination with PCA be used to discriminate between all previously mentioned tissue groups, apart from fatty versus fibrous tissue (LIF) and aorta versus fibrous tissue (NIR), respectively. The NIR analysis was improved by focusing the PCA to the wavelength segment 2.0-2.3 μm, resulting in successful spectral characterisation of all cardiovascular tissue groups.

Kinetics and Near-Infrared Spectroscopy of Organic Peroxy Radicals

NASA Astrophysics Data System (ADS)

Smarte, M. D.; Okumura, M.

2016-12-01

Organic peroxy radicals are important intermediates in atmospheric chemistry with fates that control the rate of radical propagation in an oxidation mechanism. Laboratory methods for detecting peroxy radicals are essential to measuring precise rate constants that constrain these fates. In this work, we discuss the use of near-infrared cavity ringdown spectroscopy to detect organic peroxy radicals for the purpose of laboratory kinetics measurements. We focus on chlorine-substituted peroxy radicals generated in the oxidation of alkenes by chlorine, a minor tropospheric oxidant found in marine and coastal regions. Previous kinetics experiments on peroxy radicals have largely used UV absorption spectroscopy via the dissociative B-X transition. However, the spectra produced are featureless and exhibit substantial overlap; determining the concentration profile of an individual peroxy radical can be an arduous task. In our work, we probe the forbidden peroxy radical A-X transition in the near-infrared. While this approach requires overcoming small cross sections ( 10-21 cm2), the A state is bound and leads to structured absorption spectra that may be useful in constraining the kinetics of mixtures of organic peroxy radicals formed in the oxidation of complex hydrocarbons. Only a few kinetics studies utilizing the A-X transition exist in the literature and they are focused on small, unsubstituted species. This presentation explores the ability of the A-X transition to unravel the kinetics of more complex peroxy radicals in laboratory experiments using several example systems: (1) Determining rate constants for the self and cross reactions of β-chloroethylperoxy and HO2. (2) Detecting the second generation of peroxy radicals formed from alkoxy radical decomposition in the chlorine-initiated oxidation of 2-butene. (3) Observing different rates of reactivity with NO across the pool of peroxy radical isomers formed in the chlorine-initiated oxidation of isoprene.

Infrared analysis of polyethylene wear specimens using attenuated total reflection spectroscopy. [effects of radiation on the surface properties of materials for total joint protheses

NASA Technical Reports Server (NTRS)

Jones, W. R.; Lauer, J. L.

1979-01-01

Attenuated total reflection infrared spectroscopy was used to analyze ultrahigh molecular weight polyethylene wear test specimens. Three different specimens were analyzed. One specimen was gamma irradiated to a dose of 5.0 MRad, another to a dose of 2.5 MRad, and the final specimen was unirradiated. There was no conclusive evidence of chemical changes (i.e., unsaturation or oxidation) in the surface regions of any of the polyethylene samples. Therefore, it was concluded that the gamma irradiation sterilization procedure shoud not alter the boundary lubricating properties of the polyethylene.

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.

Application of mid-infrared spectroscopy in analyzing different segmented production of Angelica by AB-8 macroporous resin

NASA Astrophysics Data System (ADS)

Guo, Yizhen; Wang, Jingjuan; Lu, Lina; Sun, Suqin; Liu, Yang; Xiao, Yao; Qin, Youwen; Xiao, Lijuan; Wen, Haoran; Qu, Lei

2016-01-01

As complicated mixture systems, chemical components of Angelica are very difficult to identify and discriminate, so as not to control its quality effectively. In recent years, Mid-infrared spectroscopy has been innovatively employed to identify and assess the quality of Traditional Chinese medicine (TCM) products. 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 (2D-IR), are applied to study and identify Angelica raw material, the decoction and different segmented production of AB-8 macroporous resin. FT-IR spectrum indicates that Angelica raw material is rich in sucrose and the correlation coefficient is 0.8465. The decoction of Angelica contains varieties of polysaccharides components and the content is gradually decreased with increasing concentration of ethanol. In addition, the decoction of Angelica contains a certain amount of protein components and 50% ethanol eluate has more protein than other eluates. Their second derivative spectra amplify the differences and reveal the potentially characteristic IR absorption bands, then we conclude that the decoction of Angelica contains a certain amount of ferulic acid and ligustilide. And 30% ethanol eluate, 50% ethanol eluate and 70% ethanol eluate are similar to ligustilide. Further, 2D-IR spectra enhance the spectral resolution and obtain much new information for discriminating the similar complicated samples. It is demonstrated that the above three-step infrared spectroscopy could be applicable for effective, visual and accurate analysis and identification of very complicated and similar mixture systems of traditional Chinese medicines.

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.

Rapid identification of oil-contaminated soils using visible near-infrared diffuse reflectance spectroscopy.

PubMed

Chakraborty, Somsubhra; Weindorf, David C; Morgan, Cristine L S; Ge, Yufeng; Galbraith, John M; Li, Bin; Kahlon, Charanjit S

2010-01-01

In the United States, petroleum extraction, refinement, and transportation present countless opportunities for spillage mishaps. A method for rapid field appraisal and mapping of petroleum hydrocarbon-contaminated soils for environmental cleanup purposes would be useful. Visible near-infrared (VisNIR, 350-2500 nm) diffuse reflectance spectroscopy (DRS) is a rapid, nondestructive, proximal-sensing technique that has proven adept at quantifying soil properties in situ. The objective of this study was to determine the prediction accuracy of VisNIR DRS in quantifying petroleum hydrocarbons in contaminated soils. Forty-six soil samples (including both contaminated and reference samples) were collected from six different parishes in Louisiana. Each soil sample was scanned using VisNIR DRS at three combinations of moisture content and pretreatment: (i) field-moist intact aggregates, (ii) air-dried intact aggregates, (iii) and air-dried ground soil (sieved through a 2-mm sieve). The VisNIR spectra of soil samples were used to predict total petroleum hydrocarbon (TPH) content in the soil using partial least squares (PLS) regression and boosted regression tree (BRT) models. Each model was validated with 30% of the samples that were randomly selected and not used in the calibration model. The field-moist intact scan proved best for predicting TPH content with a validation r2 of 0.64 and relative percent difference (RPD) of 1.70. Because VisNIR DRS was promising for rapidly predicting soil petroleum hydrocarbon content, future research is warranted to evaluate the methodology for identifying petroleum contaminated soils.

Effects of sample preparation on the infrared reflectance spectra of powders

NASA Astrophysics Data System (ADS)

Brauer, Carolyn S.; Johnson, Timothy J.; Myers, Tanya L.; Su, Yin-Fong; Blake, Thomas A.; Forland, Brenda M.

2015-05-01

While reflectance spectroscopy is a useful tool for identifying molecular compounds, laboratory measurement of solid (particularly powder) samples often is confounded by sample preparation methods. For example, both the packing density and surface roughness can have an effect on the quantitative reflectance spectra of powdered samples. Recent efforts in our group have focused on developing standard methods for measuring reflectance spectra that accounts for sample preparation, as well as other factors such as particle size and provenance. In this work, the effect of preparation method on sample reflectivity was investigated by measuring the directional-hemispherical spectra of samples that were hand-loaded as well as pressed into pellets using an integrating sphere attached to a Fourier transform infrared spectrometer. The results show that the methods used to prepare the sample can have a substantial effect on the measured reflectance spectra, as do other factors such as particle size.

A study of the proteorhodopsin primary photoreaction by low-temperature FTIR difference and ultrafast transient infrared spectroscopy

NASA Astrophysics Data System (ADS)

Amsden, Jason J.

Proteorhodopsin (PR), a newly discovered microbial rhodopsin found in marine proteobacteria, functions as a light-driven proton pump similar to bacteriorhodopsin (BR). PR-containing bacteria account for ˜13% of the microorganisms in the oceans' photic zone and are responsible for a significant fraction of the biosphere's solar energy conversion. We study the initial response of proteorhodopsin to photon absorption using a combination of low-temperature (80 K) Fourier transform infrared (FTIR) difference spectroscopy and ultrafast transient infrared (TIR) spectroscopy. Low-temperature FTIR difference spectroscopy combined with site-directed mutagenesis and isotope labeling is used to detect and characterize changes occurring in the conformation of the retinal chromophore, protein, and internal water molecules of green-absorbing PR (GPR) and blue-absorbing PR (BPR) during the initial phototransition. Measurements on cryogenically trapped intermediates do not accurately reflect all native structural changes occurring in PR and other microbial rhodopsins on ultrafast time scales at room temperature. Recent studies demonstrate that photoactive proteins such as photoactive yellow protein, myoglobin, and green-fluorescent protein, can react within several picoseconds to photon absorption by their chromophores. Faster subpicosecond protein responses have been suggested to occur in rhodopsin-like proteins where retinal chromophore photoisomerization may impulsively drive structural changes in nearby protein groups. Here, I test this possibility by investigating the earliest protein and chromophore structural changes occurring in GPR using ultrafast TIR spectroscopy with ˜200 fs time resolution combined with non-perturbing isotope labeling. On the basis of total-15N and retinal C15D (retinal with a deuterium on carbon 15) isotope labeling, the all-trans to 13-cis retinal chromophore isomerization occurs with a 500-700 fs time constant and the amide II mode of one or more

Application of multibounce attenuated total reflectance fourier transform infrared spectroscopy and chemometrics for determination of aspartame in soft drinks.

PubMed

Khurana, Harpreet Kaur; Cho, Il Kyu; Shim, Jae Yong; Li, Qing X; Jun, Soojin

2008-02-13

Aspartame is a low-calorie sweetener commonly used in soft drinks; however, the maximum usage dose is limited by the U.S. Food and Drug Administration. Fourier transform infrared (FTIR) spectroscopy with attenuated total reflectance sampling accessory and partial least-squares regression (PLS) was used for rapid determination of aspartame in soft drinks. On the basis of spectral characterization, the highest R2 value, and lowest PRESS value, the spectral region between 1600 and 1900 cm(-1) was selected for quantitative estimation of aspartame. The potential of FTIR spectroscopy for aspartame quantification was examined and validated by the conventional HPLC method. Using the FTIR method, aspartame contents in four selected carbonated diet soft drinks were found to average from 0.43 to 0.50 mg/mL with prediction errors ranging from 2.4 to 5.7% when compared with HPLC measurements. The developed method also showed a high degree of accuracy because real samples were used for calibration, thus minimizing potential interference errors. The FTIR method developed can be suitably used for routine quality control analysis of aspartame in the beverage-manufacturing sector.

Centrifugal ultrafiltration of human serum for improving immunoglobulin A quantification using attenuated total reflectance infrared spectroscopy.

PubMed

Elsohaby, Ibrahim; McClure, J Trenton; Riley, Christopher B; Bryanton, Janet; Bigsby, Kathryn; Shaw, R Anthony

2018-02-20

Attenuated total reflectance infrared (ATR-IR) spectroscopy is a simple, rapid and cost-effective method for the analysis of serum. However, the complex nature of serum remains a limiting factor to the reliability of this method. We investigated the benefits of coupling the centrifugal ultrafiltration with ATR-IR spectroscopy for quantification of human serum IgA concentration. Human serum samples (n = 196) were analyzed for IgA using an immunoturbidimetric assay. ATR-IR spectra were acquired for whole serum samples and for the retentate (residue) reconstituted with saline following 300 kDa centrifugal ultrafiltration. IR-based analytical methods were developed for each of the two spectroscopic datasets, and the accuracy of each of the two methods compared. Analytical methods were based upon partial least squares regression (PLSR) calibration models - one with 5-PLS factors (for whole serum) and the second with 9-PLS factors (for the reconstituted retentate). Comparison of the two sets of IR-based analytical results to reference IgA values revealed improvements in the Pearson correlation coefficient (from 0.66 to 0.76), and the root mean squared error of prediction in IR-based IgA concentrations (from 102 to 79 mg/dL) for the ultrafiltration retentate-based method as compared to the method built upon whole serum spectra. Depleting human serum low molecular weight proteins using a 300 kDa centrifugal filter thus enhances the accuracy IgA quantification by ATR-IR spectroscopy. Further evaluation and optimization of this general approach may ultimately lead to routine analysis of a range of high molecular-weight analytical targets that are otherwise unsuitable for IR-based analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

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

Treesearch

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

2018-01-01

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

Rapid Detection of Volatile Oil in Mentha haplocalyx by Near-Infrared Spectroscopy and Chemometrics.

PubMed

Yan, Hui; Guo, Cheng; Shao, Yang; Ouyang, Zhen

2017-01-01

Near-infrared spectroscopy combined with partial least squares regression (PLSR) and support vector machine (SVM) was applied for the rapid determination of chemical component of volatile oil content in Mentha haplocalyx . The effects of data pre-processing methods on the accuracy of the PLSR calibration models were investigated. The performance of the final model was evaluated according to the correlation coefficient ( R ) and root mean square error of prediction (RMSEP). For PLSR model, the best preprocessing method combination was first-order derivative, standard normal variate transformation (SNV), and mean centering, which had of 0.8805, of 0.8719, RMSEC of 0.091, and RMSEP of 0.097, respectively. The wave number variables linking to volatile oil are from 5500 to 4000 cm-1 by analyzing the loading weights and variable importance in projection (VIP) scores. For SVM model, six LVs (less than seven LVs in PLSR model) were adopted in model, and the result was better than PLSR model. The and were 0.9232 and 0.9202, respectively, with RMSEC and RMSEP of 0.084 and 0.082, respectively, which indicated that the predicted values were accurate and reliable. This work demonstrated that near infrared reflectance spectroscopy with chemometrics could be used to rapidly detect the main content volatile oil in M. haplocalyx . The quality of medicine directly links to clinical efficacy, thus, it is important to control the quality of Mentha haplocalyx . Near-infrared spectroscopy combined with partial least squares regression (PLSR) and support vector machine (SVM) was applied for the rapid determination of chemical component of volatile oil content in Mentha haplocalyx . For SVM model, 6 LVs (less than 7 LVs in PLSR model) were adopted in model, and the result was better than PLSR model. It demonstrated that near infrared reflectance spectroscopy with chemometrics could be used to rapidly detect the main content volatile oil in Mentha haplocalyx . Abbreviations used: 1 st der

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.

Near-infrared light absorption by brown carbon in the ambient atmosphere

NASA Astrophysics Data System (ADS)

Chung, C.; Hoffer, A.; Beres, N. D.; Moosmüller, H.; Liu, C.; Green, M.; Kim, S. W.; Engelbrecht, J. P.; Gelencser, A.

2017-12-01

Organic aerosols have been assumed to have little-to-no absorption in the red and near-infrared spectral regions of solar radiation, even though a class of organic aerosols were shown to absorb significantly in these spectral regions. Here, we show that ambient atmospheric data from commonly-used 7-wavelength aethalometers contain evidence of abundant near-infrared light absorption by organic aerosol. This evidence comes from the absorption Ångström exponent over 880 950 nm, which often exceeds values explainable by fresh or coated black carbon, or mineral dust. This evidence is not due to an artifact from the instrument random errors or biases, either. The best explanation for these large 880/950 nm absorption Ångström exponent values in the aethalometer data is near-infrared light absorption by tar balls. Tar balls are among common particles from forest fire.

Discrimination of organic coffee via Fourier transform infrared-photoacoustic spectroscopy.

PubMed

Gordillo-Delgado, Fernando; Marín, Ernesto; Cortés-Hernández, Diego Mauricio; Mejía-Morales, Claudia; García-Salcedo, Angela Janet

2012-08-30

Procedures for the evaluation of the origin and quality of ground and roasted coffee are constantly needed for the associated industry due to complexity of the related market. Conventional Fourier transform infrared (FTIR) spectroscopy can be used for detecting changes in functional groups of compounds, such as coffee. However, dispersion, reflection and non-homogeneity of the sample matrix can cause problems resulting in low spectral quality. On the other hand, sample preparation frequently takes place in a destructive way. To overcome these difficulties, in this work a photoacoustic cell has been adapted as a detector in a FTIR spectrophotometer to perform a study of roasted and ground coffee from three varieties of Coffea arabica grown by organic and conventional methods. Comparison between spectra of coffee recorded by FTIR-photoacoustic spectrometry (PAS) and by FTIR spectrophotometry showed a better resolution of the former method, which, aided by principal components analysis, allowed the identification of some absorption bands that allow the discrimination between organic and conventional coffee. The results obtained provide information about the spectral behavior of coffee powder which can be useful for establishing discrimination criteria. It has been demonstrated that FTIR-PAS can be a useful experimental tool for the characterization of coffee. Copyright © 2012 Society of Chemical Industry.

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

NASA Astrophysics Data System (ADS)

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

2014-03-01

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

Quantitative broadband absorption and scattering spectroscopy in turbid media by combined frequency-domain and steady state methodologies

DOEpatents

Tromberg, Bruce J [Irvine, CA; Berger, Andrew J [Rochester, NY; Cerussi, Albert E [Lake Forest, CA; Bevilacqua, Frederic [Costa Mesa, CA; Jakubowski, Dorota [Irvine, CA

2008-09-23

A technique for measuring broadband near-infrared absorption spectra of turbid media that uses a combination of frequency-domain and steady-state reflectance methods. Most of the wavelength coverage is provided by a white-light steady-state measurement, whereas the frequency-domain data are acquired at a few selected wavelengths. Coefficients of absorption and reduced scattering derived from the frequency-domain data are used to calibrate the intensity of the steady-state measurements and to determine the reduced scattering coefficient at all wavelengths in the spectral window of interest. The absorption coefficient spectrum is determined by comparing the steady-state reflectance values with the predictions of diffusion theory, wavelength by wavelength. Absorption spectra of a turbid phantom and of human breast tissue in vivo, derived with the combined frequency-domain and steady-state technique, agree well with expected reference values.

Penetration depth of photons in biological tissues from hyperspectral imaging in shortwave infrared in transmission and reflection geometries

PubMed Central

Zhang, Hairong; Salo, Daniel; Kim, David M.; Komarov, Sergey; Tai, Yuan-Chuan; Berezin, Mikhail Y.

2016-01-01

Abstract. Measurement of photon penetration in biological tissues is a central theme in optical imaging. A great number of endogenous tissue factors such as absorption, scattering, and anisotropy affect the path of photons in tissue, making it difficult to predict the penetration depth at different wavelengths. Traditional studies evaluating photon penetration at different wavelengths are focused on tissue spectroscopy that does not take into account the heterogeneity within the sample. This is especially critical in shortwave infrared where the individual vibration-based absorption properties of the tissue molecules are affected by nearby tissue components. We have explored the depth penetration in biological tissues from 900 to 1650 nm using Monte–Carlo simulation and a hyperspectral imaging system with Michelson spatial contrast as a metric of light penetration. Chromatic aberration-free hyperspectral images in transmission and reflection geometries were collected with a spectral resolution of 5.27 nm and a total acquisition time of 3 min. Relatively short recording time minimized artifacts from sample drying. Results from both transmission and reflection geometries consistently revealed that the highest spatial contrast in the wavelength range for deep tissue lies within 1300 to 1375 nm; however, in heavily pigmented tissue such as the liver, the range 1550 to 1600 nm is also prominent. PMID:27930773

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

Infrared spectroscopy of Mercury analogue materials under simulated Mercury surface temperature conditions

NASA Astrophysics Data System (ADS)

Reitze, Maximilian; Morlok, Andreas; Hiesinger, Harald; Weber, Iris; Stojic, Aleksandra

2017-04-01

Infrared spectroscopy is a powerful technique for the exploration of planetary surfaces with remote sensing observations [e.g., 1]. The MERTIS (Mercury Radiometer and Thermal Infrared Spectrometer) instrument onboard the BepiColombo spacecraft is designed to explore the surface mineralogy of Mercury in the wavelength region from 7 μ m to 14 μ m [2]. Mercury's surface reaches dayside temperatures of about 700 K [3]. It is well known that bondings between atoms change with temperature, resulting in infrared spectra changes with temperature [4]. In particular, rock-forming minerals like silicates show distinct absorption bands in the infrared due to molecular vibrations, for example, of Si-O bondings [4]. To accurately understand and correctly interpret returned MERTIS data, it is necessary to collect laboratory data of analogue materials under condition similar to Mercury [5]. It is known from previous investigations [5] that the Reststrahlenbands of olivine shift with temperature. In this work we report on temperature effects on Mercury analogue materials in ambient air. At the IRIS (Infrared & Raman for Interplanetary Spectroscopy) laboratory in Münster we used a Bruker VERTEX 70v IR spectrometer together with a Harrick heating stage in a Praying Mantis Diffuse Reflectance Accessory to measure mid-infrared reflectance of mineral powder samples with different grain sizes at increasing temperatures. We report on our spectral results for a natural olivine with Fo91 with a grain size range between 63 μ m and 125 μ m as well as a natural labradorite with a grain size range between 90 μ m and 125 μ m. Spectra were collected at 26, 75, 150, 200, 250, 300, and 350 degrees Celsius with a liquid nitrogen cooled MCT detector under normal ambient pressure. To ensure complete thermal equilibrium of our measured samples, we heated them to higher temperatures and subsequently cooled them to the temperatures at which the spectra were taken. For background calibration, we

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

NASA Astrophysics Data System (ADS)

Niwayama, Masatsugu

2018-03-01

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

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

Nutritional evaluation of commercial dry dog foods by near infrared reflectance spectroscopy.

PubMed

Alomar, D; Hodgkinson, S; Abarzúa, D; Fuchslocher, R; Alvarado, C; Rosales, E

2006-06-01

Near infrared reflectance spectroscopy (NIRS) was used to predict the nutritional value of dog foods sold in Chile. Fifty-nine dry foods for adult and growing dogs were collected, ground and scanned across the visible/NIR range and subsequently analysed for dry matter (DM), crude protein (CP), crude fibre (CF), total fat, linoleic acid, gross energy (GE), estimated metabolizable energy (ME) and several amino acids and minerals. Calibration equations were developed by modified partial least squares regression, and tested by cross-validation. Standard error of cross validation (SE(CV)) and coefficient of determination of cross validation (SE(CV)) were used to select best equations. Equations with good predicting accuracy were obtained for DM, CF, CP, GE and fat. Corresponding values for and SE(CV) were 0.96 and 1.7 g/kg, 0.91 and 3.1 g/kg, 0.99 and 5.0 g/kg, 0.93 and 0.26 MJ/kg, 0.89 and 12.4 g/kg. Several amino acids were also well predicted, such as arginine, leucine, isoleucine, phenylalanine-tyrosine (combined), threonine and valine, with values for and SE(CV) (g/kg) of 0.89 and 0.9, 0.94 and 1.3, 0.91 and 0.5, 0.95 and 0.9, 0.91 and 0.5, 0.93 and 0.5. Intermediate values, appropriate for ranking purposes, were obtained for ME, histidine, lysine and methionine-cysteine. Tryptophan, minerals or linoleic acid were not acceptably predicted, irrespective of the mathematical treatment applied. It is concluded that NIR can be successfully used to predict important nutritional characteristics of commercial dog foods.

Near-infrared photon time-of-flight spectroscopy of turbid materials up to 1400 nm

NASA Astrophysics Data System (ADS)

Svensson, Tomas; Alerstam, Erik; Khoptyar, Dmitry; Johansson, Jonas; Folestad, Staffan; Andersson-Engels, Stefan

2009-06-01

Photon time-of-flight spectroscopy (PTOFS) is a powerful tool for analysis of turbid materials. We have constructed a time-of-flight spectrometer based on a supercontinuum fiber laser, acousto-optical tunable filtering, and an InP/InGaAsP microchannel plate photomultiplier tube. The system is capable of performing PTOFS up to 1400 nm, and thus covers an important region for vibrational spectroscopy of solid samples. The development significantly increases the applicability of PTOFS for analysis of chemical content and physical properties of turbid media. The great value of the proposed approach is illustrated by revealing the distinct absorption features of turbid epoxy resin. Promising future applications of the approach are discussed, including quantitative assessment of pharmaceuticals, powder analysis, and calibration-free near-infrared spectroscopy.

Photoacoustic Experimental System to Confirm Infrared Absorption Due to Greenhouse Gases

ERIC Educational Resources Information Center

Kaneko, Fumitoshi; Monjushiro, Hideaki; Nishiyama, Masayoshi; Kasai, Toshio; Harris, Harold H.

2010-01-01

An experimental system for detecting infrared absorption using the photoacoustic (PA) effect is described. It is aimed for use at high-school level to illustrate the difference in infrared (IR) absorption among the gases contained in the atmosphere in connection with the greenhouse effect. The experimental system can be built with readily…

Near-infrared studies of glucose and sucrose in aqueous solutions: water displacement effect and red shift in water absorption from water-solute interaction.

PubMed

Jung, Youngeui; Hwang, Jungseek

2013-02-01

We used near infrared spectroscopy to obtain concentration dependent glucose absorption spectra in aqueous solutions in the near-infrared range (3800-7500 cm(-1)). Here we introduce a new method to obtain reliable glucose absorption bands from aqueous glucose solutions without measuring the water displacement coefficients of glucose separately. Additionally, we were able to extract the water displacement coefficients of glucose, and this may offer a new general method using spectroscopy techniques applicable to other water-soluble materials. We also observed red shifts in the absorption bands of water in the hydration shell around solute molecules, which comes from the contribution of the interacting water molecules around the glucose molecules in solutions. The intensity of the red shift gets larger as the concentration increases, which indicates that as the concentration increases more water molecules are involved in the interaction. However, the red shift in frequency does not seem to depend significantly on the concentration. We also performed the same measurements and analysis with sucrose instead of glucose as solute and compared.

Infrared Spectroscopy of Naphthalene Aggregation and Cluster Formation in Argon Matrices

NASA Technical Reports Server (NTRS)

Roser, J. E.; Allamondola, L. J.

2011-01-01

Fourier-transform mid-infrared absorption spectra of mixed argon/naphthalene matrices at 5 K are shown with ratios of argon-to-naphthalene that vary from 1000 to 0. These spectra show the changes as naphthalene clustering and aggregation occurs, with moderate spectral shifts affecting the C-H vibrational modes and relatively small or no shifts to the C-C and C-C-C vibrational modes. The possible contribution of homogeneous naphthalene clusters to the interstellar unidentified infrared bands is discussed. The contribution of polycyclic aromatic hydrocarbon (PAH) clusters to the 7.7 micron emission plateau and the blue shading of the 12.7 micron emission band are identified as promising candidates for future research. In addition, since PAH clusters are model components of Jupiter and Titan's atmospheres, the information presented here may also be applicable to the spectroscopy of these objects.

Micro transflection on a metallic stick: an innovative approach of reflection infrared spectroscopy for minimally invasive investigation of painting varnishes.

PubMed

Rosi, Francesca; Legan, Lea; Miliani, Costanza; Ropret, Polonca

2017-05-01

A new analytical approach, based on micro-transflection measurements from a diamond-coated metal sampling stick, is presented for the analysis of painting varnishes. Minimally invasive sampling is performed from the varnished surface using the stick, which is directly used as a transflection substrate for micro Fourier transform infrared (FTIR) measurements. With use of a series of varnished model paints, the micro-transflection method has been proved to be a valuable tool for the identification of surface components thanks to the selectivity of the sampling, the enhancement of the absorbance signal, and the easier spectral interpretation because the profiles are similar to transmission mode ones. Driven by these positive outcomes, the method was then tested as tool supporting noninvasive reflection FTIR spectroscopy during the assessment of varnish removal by solvent cleaning on paint models. Finally, the integrated analytical approach based on the two reflection methods was successfully applied for the monitoring of the cleaning of the sixteenth century painting Presentation in the Temple by Vittore Carpaccio. Graphical Abstract Micro-transflection FTIR on a metallic stick for the identification of varnishes during painting cleanings.

Deep and tapered silicon photonic crystals for achieving anti-reflection and enhanced absorption.

PubMed

Hung, Yung-Jr; Lee, San-Liang; Coldren, Larry A

2010-03-29

Tapered silicon photonic crystals (PhCs) with smooth sidewalls are realized using a novel single-step deep reactive ion etching. The PhCs can significantly reduce the surface reflection over the wavelength range between the ultra-violet and near-infrared regions. From the measurements using a spectrophotometer and an angle-variable spectroscopic ellipsometer, the sub-wavelength periodic structure can provide a broad and angular-independent antireflective window in the visible region for the TE-polarized light. The PhCs with tapered rods can further reduce the reflection due to a gradually changed effective index. On the other hand, strong optical resonances for TM-mode can be found in this structure, which is mainly due to the existence of full photonic bandgaps inside the material. Such resonance can enhance the optical absorption inside the silicon PhCs due to its increased optical paths. With the help of both antireflective and absorption-enhanced characteristics in this structure, the PhCs can be used for various applications.

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

PubMed Central

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

2016-01-01

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 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 C vs. CO 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

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

Portable, Fiber-Based, Diffuse Reflection Spectroscopy (DRS) Systems for Estimating Tissue Optical Properties.

PubMed

Vishwanath, Karthik; Chang, Kevin; Klein, Daniel; Deng, Yu Feng; Chang, Vivide; Phelps, Janelle E; Ramanujam, Nimmi

2011-02-01

Steady-state diffuse reflection spectroscopy is a well-studied optical technique that can provide a noninvasive and quantitative method for characterizing the absorption and scattering properties of biological tissues. Here, we compare three fiber-based diffuse reflection spectroscopy systems that were assembled to create a light-weight, portable, and robust optical spectrometer that could be easily translated for repeated and reliable use in mobile settings. The three systems were built using a broadband light source and a compact, commercially available spectrograph. We tested two different light sources and two spectrographs (manufactured by two different vendors). The assembled systems were characterized by their signal-to-noise ratios, the source-intensity drifts, and detector linearity. We quantified the performance of these instruments in extracting optical properties from diffuse reflectance spectra in tissue-mimicking liquid phantoms with well-controlled optical absorption and scattering coefficients. We show that all assembled systems were able to extract the optical absorption and scattering properties with errors less than 10%, while providing greater than ten-fold decrease in footprint and cost (relative to a previously well-characterized and widely used commercial system). Finally, we demonstrate the use of these small systems to measure optical biomarkers in vivo in a small-animal model cancer therapy study. We show that optical measurements from the simple portable system provide estimates of tumor oxygen saturation similar to those detected using the commercial system in murine tumor models of head and neck cancer.

OH absorption spectroscopy in a flame using spatial heterodyne spectroscopy

NASA Astrophysics Data System (ADS)

Bartula, Renata J.; Ghandhi, Jaal B.; Sanders, Scott T.; Mierkiewicz, Edwin J.; Roesler, Fred L.; Harlander, John M.

2007-12-01

We demonstrate measurements of OH absorption spectra in the post-flame zone of a McKenna burner using spatial heterodyne spectroscopy (SHS). SHS permits high-resolution, high-throughput measurements. In this case the spectra span ~308-310 nm with a resolution of 0.03 nm, even though an extended source (extent of ~2×10-7 m2 rad2) was used. The high spectral resolution is important for interpreting spectra when multiple absorbers are present for inferring accurate gas temperatures from measured spectra and for monitoring weak absorbers. The present measurement paves the way for absorption spectroscopy by SHS in practical combustion devices, such as reciprocating and gas-turbine engines.

Dark, Infrared Reflective, and Superhydrophobic Coatings by Waterborne Resins.

PubMed

Zhang, Jing; Lin, Weiqiang; Zhu, Chenxi; Lv, Jian; Zhang, Weicheng; Feng, Jie

2018-05-15

Recently, infrared reflective pigments possessing deep colors have attracted much attention. However, in polluted air, the coatings consisting of such pigments are easily contaminated which abates infrared reflectivity. In this work, black and infrared reflective pigments, fluorine silicon sol and a small number of SiO 2 nanoparticles were introduced into waterborne epoxy resin emulsion and then coated on an aluminum plate. After drying, black coatings with infrared reflective and superhydrophobic (SH) properties were obtained. The average near-infrared (NIR) reflectivity of the coating over wavelength range of 780-2600 nm can reach 68%, which is much larger than that of carbon black coatings and even approaches that of white nano SiO 2 coatings. Under the irradiation of a 275-W infrared lamp (with height 40 cm), the surface temperature of the coating is 63 °C, which is much lower than that of the carbon black coating (90 °C) and only 7 °C higher than that of the white nano SiO 2 coating. Furthermore, the NIR reflective coating exhibited a typical SH property due to its low surface energy and high surface roughness, which may allow for self-cleaning performance in a practical environment, maintaining the coating's NIR reflective property.

The temperature measurement research for high-speed flow based on tunable diode laser absorption spectroscopy

NASA Astrophysics Data System (ADS)

Di, Yue; Jin, Yi; Jiang, Hong-liang; Zhai, Chao

2013-09-01

Due to the particularity of the high-speed flow, in order to accurately obtain its' temperature, the measurement system should has some characteristics of not interfereing with the flow, non-contact measurement and high time resolution. The traditional measurement method cannot meet the above requirements, however the measurement method based on tunable diode laser absorption spectroscopy (TDLAS) technology can meet the requirements for high-speed flow temperature measurement. When the near-infared light of a specific frequency is through the media to be measured, it will be absorbed by the water vapor molecules and then the transmission light intensity is detected by the detector. The temperature of the water vapor which is also the high-speed flow temperature, can be accurately obtained by the Beer-Lambert law. This paper focused on the research of absorption spectrum method for high speed flow temperature measurement with the scope of 250K-500K. Firstly, spectral line selection method for low temperature measurement of high-speed flow is discussed. Selected absorption lines should be isolated and have a high peak absorption within the range of 250-500K, at the same time the interference of the other lines should be avoided, so that a high measurement accuracy can be obtained. According to the near-infrared absorption spectra characteristics of water vapor, four absorption lines at the near 1395 nm and 1409 nm are selected. Secondly, a system for the temperature measurement of the water vapor in the high-speed flow is established. Room temperature are measured through two methods, direct absorption spectroscopy (DAS) and wavelength modulation spectroscopy (WMS) ,the results show that this system can realize on-line measurement of the temperature and the measurement error is about 3%. Finally, the system will be used for temperature measurement of the high-speed flow in the shock tunnel, its feasibility of measurement is analyzed.

Infrared absorptivities of transition metals at room and liquid-helium temperatures.

NASA Technical Reports Server (NTRS)

Jones, M. C.; Palmer, D. C.; Tien, C. L.

1972-01-01

Evaluation of experimental data concerning the normal spectral absorptivities of the transition metals, nickel, iron, platinum, and chromium, at both room and liquid-helium temperatures in the wavelength range from 2.5 to 50 microns. The absorptivities were derived from reflectivity measurements made relative to a room-temperature vapor-deposited gold reference mirror. The absorptivity of the gold reference mirror was measured calorimetrically, by use of infrared laser sources. Investigation of various methods of sample-surface preparation resulted in the choice of a vacuum-annealing process as the final stage. The experimental results are discussed on the basis of the anomalous-skin-effect theory modified for multiple conduction bands. As predicted, the results approach a single-band model toward the longer wavelengths. Agreement between theory and experiment is considerably improved by taking into account the modification of the relaxation time due to the photon-electron-phonon interaction proposed by Holstein (1954) and Gurzhi (1958); but, particularly at helium temperatures, the calculated curve is consistently below the experimental results.

Differentiation of Body Fluid Stains on Fabrics Using External Reflection Fourier Transform Infrared Spectroscopy (FT-IR) and Chemometrics.

PubMed

Zapata, Félix; de la Ossa, Ma Ángeles Fernández; García-Ruiz, Carmen

2016-04-01

Body fluids are evidence of great forensic interest due to the DNA extracted from them, which allows genetic identification of people. This study focuses on the discrimination among semen, vaginal fluid, and urine stains (main fluids in sexual crimes) placed on different colored cotton fabrics by external reflection Fourier transform infrared spectroscopy (FT-IR) combined with chemometrics. Semen-vaginal fluid mixtures and potential false positive substances commonly found in daily life such as soaps, milk, juices, and lotions were also studied. Results demonstrated that the IR spectral signature obtained for each body fluid allowed its identification and the correct classification of unknown stains by means of principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA). Interestingly, results proved that these IR spectra did not show any bands due to the color of the fabric and no substance of those present in daily life which were analyzed, provided a false positive. © The Author(s) 2016.

Quantitative evaluation of multiple adulterants in roasted coffee by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and chemometrics.

PubMed

Reis, Nádia; Franca, Adriana S; Oliveira, Leandro S

2013-10-15

The current study presents an application of Diffuse Reflectance Infrared Fourier Transform Spectroscopy for detection and quantification of fraudulent addition of commonly employed adulterants (spent coffee grounds, coffee husks, roasted corn and roasted barley) to roasted and ground coffee. Roasted coffee samples were intentionally blended with the adulterants (pure and mixed), with total adulteration levels ranging from 1% to 66% w/w. Partial Least Squares Regression (PLS) was used to relate the processed spectra to the mass fraction of adulterants and the model obtained provided reliable predictions of adulterations at levels as low as 1% w/w. A robust methodology was implemented that included the detection of outliers. High correlation coefficients (0.99 for calibration; 0.98 for validation) coupled with low degrees of error (1.23% for calibration; 2.67% for validation) confirmed that DRIFTS can be a valuable analytical tool for detection and quantification of adulteration in ground, roasted coffee. Copyright © 2013 Elsevier B.V. All rights reserved.

Infrared spectroscopy as a screening technique for colitis

NASA Astrophysics Data System (ADS)

Titus, Jitto; Ghimire, Hemendra; Viennois, Emilie; Merlin, Didier; Perera, A. G. Unil

2017-05-01

There remains a great need for diagnosis of inflammatory bowel disease (IBD), for which the current technique, colonoscopy, is not cost-effective and presents a non-negligible risk for complications. Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy is a new screening technique to evaluate colitis. Comparing infrared spectra of sera to study the differences between them can prove challenging due to the complexity of its biological constituents giving rise to a plethora of vibrational modes. Overcoming these inherent infrared spectral analysis difficulties involving highly overlapping absorbance peaks and the analysis of the data by curve fitting to improve the resolution is discussed. The proposed technique uses colitic and normal wild type mice dried serum to obtain ATR/FTIR spectra to effectively differentiate colitic mice from normal mice. Using this method, Amide I group frequency (specifically, alpha helix to beta sheet ratio of the protein secondary structure) was identified as disease associated spectral signature in addition to the previously reported glucose and mannose signatures in sera of chronic and acute mice models of colitis. Hence, this technique will be able to identify changes in the sera due to various diseases.

Determination of blood oxygenation in the brain by time-resolved reflectance spectroscopy: influence of the skin, skull, and meninges

NASA Astrophysics Data System (ADS)

Hielscher, Andreas H.; Liu, Hanli; Wang, Lihong V.; Tittel, Frank K.; Chance, Britton; Jacques, Steven L.

1994-07-01

Near infrared light has been used for the determination of blood oxygenation in the brain but little attention has been paid to the fact that the states of blood oxygenation in arteries, veins, and capillaries differ substantially. In this study, Monte Carlo simulations for a heterogeneous system were conducted, and near infrared time-resolved reflectance measurements were performed on a heterogeneous tissue phantom model. The model was made of a solid polyester resin, which simulates the tissue background. A network of tubes was distributed uniformly through the resin to simulate the blood vessels. The time-resolved reflectance spectra were taken with different absorbing solutions filled in the network. Based on the simulation and experimental results, we investigated the dependence of the absorption coefficient obtained from the heterogeneous system on the absorption of the actual absorbing solution filled in the tubes. We show that light absorption by the brain should result from the combination of blood and blood-free tissue background.

Infrared absorption cross sections of propane broadened by hydrogen

NASA Astrophysics Data System (ADS)

Wong, A.; Hargreaves, R. J.; Billinghurst, B.; Bernath, P. F.

2017-09-01

Fourier transform infrared absorption cross-sections of pure propane (C3H8) and propane broadened with H2 have been calculated from transmittance spectra recorded at temperatures from 292 K to 205 K. Transmittance spectra were recorded at the Canadian Light Source (CLS) Far-Infrared beamline, utilizing both the synchrotron source and the internal glowbar source. The absorption cross-sections have been calibrated to Pacific Northwest National Laboratory (PNNL) reference cross-sections of propane and can be used to interpret astronomical observations of giant planets such as Jupiter and Saturn as well as exoplanets.

Application of reflectance spectroscopies (FTIR-ATR & FT-NIR) coupled with multivariate methods for robust in vivo detection of begomovirus infection in papaya leaves

NASA Astrophysics Data System (ADS)

Haq, Quazi M. I.; Mabood, Fazal; Naureen, Zakira; Al-Harrasi, Ahmed; Gilani, Sayed A.; Hussain, Javid; Jabeen, Farah; Khan, Ajmal; Al-Sabari, Ruqaya S. M.; Al-khanbashi, Fatema H. S.; Al-Fahdi, Amira A. M.; Al-Zaabi, Ahoud K. A.; Al-Shuraiqi, Fatma A. M.; Al-Bahaisi, Iman M.

2018-06-01

Nucleic acid & serology based methods have revolutionized plant disease detection, however, they are not very reliable at asymptomatic stage, especially in case of pathogen with systemic infection, in addition, they need at least 1-2 days for sample harvesting, processing, and analysis. In this study, two reflectance spectroscopies i.e. Near Infrared reflectance spectroscopy (NIR) and Fourier-Transform-Infrared spectroscopy with Attenuated Total Reflection (FT-IR, ATR) coupled with multivariate exploratory methods like Principle Component Analysis (PCA) and Partial least square discriminant analysis (PLS-DA) have been deployed to detect begomovirus infection in papaya leaves. The application of those techniques demonstrates that they are very useful for robust in vivo detection of plant begomovirus infection. These methods are simple, sensitive, reproducible, precise, and do not require any lengthy samples preparation procedures.

Specular Reflection and Diffuse Reflectance Spectroscopy of Soils

USDA-ARS?s Scientific Manuscript database

Studies on the occurrence and effects of specular reflection in mid-infrared spectra of soils have shown that distortions due to specular reflection occur for both organic (humic acid) and non-organic fractions (carbonates, silica, ashed fraction of soil). The results demonstrated explain why the s...

Effects of Sample Preparation on the Infrared Reflectance Spectra of Powders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brauer, Carolyn S.; Johnson, Timothy J.; Myers, Tanya L.

2015-05-22

While reflectance spectroscopy is a useful tool in identifying molecular compounds, laboratory measurement of solid (particularly powder) samples often is confounded by sample preparation methods. For example, both the packing density and surface roughness can have an effect on the quantitative reflectance spectra of powdered samples. Recent efforts in our group have focused on developing standard methods for measuring reflectance spectra that accounts for sample preparation, as well as other factors such as particle size and provenance. In this work, the effect of preparation method on sample reflectivity was investigated by measuring the directional-hemispherical spectra of samples that were hand-packedmore » as well as pressed into pellets using an integrating sphere attached to a Fourier transform infrared spectrometer. The results show that the methods used to prepare the sample have a substantial effect on the measured reflectance spectra, as do other factors such as particle size.« less

Quantum Cascade Laser Absorption Spectroscopy as a Plasma Diagnostic Tool: An Overview

PubMed Central

Welzel, Stefan; Hempel, Frank; Hübner, Marko; Lang, Norbert; Davies, Paul B.; Röpcke, Jürgen

2010-01-01

The recent availability of thermoelectrically cooled pulsed and continuous wave quantum and inter-band cascade lasers in the mid-infrared spectral region has led to significant improvements and new developments in chemical sensing techniques using in-situ laser absorption spectroscopy for plasma diagnostic purposes. The aim of this article is therefore two-fold: (i) to summarize the challenges which arise in the application of quantum cascade lasers in such environments, and, (ii) to provide an overview of recent spectroscopic results (encompassing cavity enhanced methods) obtained in different kinds of plasma used in both research and industry. PMID:22163581

Quantum cascade laser absorption spectroscopy as a plasma diagnostic tool: an overview.

PubMed

Welzel, Stefan; Hempel, Frank; Hübner, Marko; Lang, Norbert; Davies, Paul B; Röpcke, Jürgen

2010-01-01

The recent availability of thermoelectrically cooled pulsed and continuous wave quantum and inter-band cascade lasers in the mid-infrared spectral region has led to significant improvements and new developments in chemical sensing techniques using in-situ laser absorption spectroscopy for plasma diagnostic purposes. The aim of this article is therefore two-fold: (i) to summarize the challenges which arise in the application of quantum cascade lasers in such environments, and, (ii) to provide an overview of recent spectroscopic results (encompassing cavity enhanced methods) obtained in different kinds of plasma used in both research and industry.

Estimating the Mg# and AlVI content of biotite and chlorite from shortwave infrared reflectance spectroscopy: Predictive equations and recommendations for their use

NASA Astrophysics Data System (ADS)

Lypaczewski, Philip; Rivard, Benoit

2018-06-01

Shortwave infrared (SWIR, 1000-2500 nm) reflectance spectra of biotite and chlorite were investigated to establish quantitative relationships between spectral metrics and mineral chemistry, determined by electron microprobe analysis (EMPA). Samples spanning a broad range of mineral compositions were used to establish regression equations to Mg#, which can be estimated to ±3 and ±5 Mg#, and to AlVI content, which can be estimated to ±0.044 AlVI (11 O) and ±0.09 AlVI (14 O), respectively for biotite and chlorite. Both minerals have absorptions at common positions (1400, 2250, 2330 nm), and spectral interference may occur in mineral mixtures. For an equivalent Mg#, absorptions of chlorite are offset to 1-15 nm higher wavelengths relative to those of biotite. If the incorrect mineral is identified, errors in the estimation of composition may occur. Additionally, the 2250 nm absorption, which is related to Al(Mg,Fe)-OH in both minerals, is strongly affected by both the AlVI content and Mg#. This can lead to erroneous Mg# estimations in low AlVI samples. Recommendations to mitigate these issues are presented.

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

USDA-ARS?s Scientific Manuscript database

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

Atmospheric Measurements by Cavity Enhanced Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Yi, Hongming; Wu, Tao; Coeur-Tourneur, Cécile; Fertein, Eric; Gao, Xiaoming; Zhao, Weixiong; Zhang, Weijun; Chen, Weidong

2015-04-01

Since the last decade, atmospheric environmental monitoring has benefited from the development of novel spectroscopic measurement techniques owing to the significant breakthroughs in photonic technology from the UV to the infrared spectral domain [1]. In this presentation, we will overview our recent development and applications of cavity enhanced absorption spectroscopy techniques for in situ optical monitoring of chemically reactive atmospheric species (such as HONO, NO3, NO2, N2O5) in intensive campaigns [2] and/or in smog chamber studies [3]. These field deployments demonstrated that modern photonic technologies (newly emergent light sources combined with high sensitivity spectroscopic techniques) can provide a useful tool to improve our understanding of tropospheric chemical processes which affect climate, air quality, and the spread of pollution. Experimental detail and preliminary results will be presented. Acknowledgements. The financial support from the French Agence Nationale de la Recherche (ANR) under the NexCILAS (ANR-11-NS09-0002) and the CaPPA (ANR-10-LABX-005) contracts is acknowledged. References [1] X. Cui, C. Lengignon, T. Wu, W. Zhao, G. Wysocki, E. Fertein, C. Coeur, A. Cassez,L. Croisé, W. Chen, et al., "Photonic Sensing of the Atmosphere by absorption spectroscopy", J. Quant. Spectrosc. Rad. Transfer 113 (2012) 1300-1316 [2] T. Wu, Q. Zha, W. Chen, Z. XU, T. Wang, X. He, "Development and deployment of a cavity enhanced UV-LED spectrometer for measurements of atmospheric HONO and NO2 in Hong Kong", Atmos. Environ. 95 (2014) 544-551 [3] T. Wu, C. Coeur-Tourneur, G. Dhont,A. Cassez, E. Fertein, X. He, W. Chen,"Application of IBBCEAS to kinetic study of NO3 radical formation from O3 + NO2 reaction in an atmospheric simulation chamber", J. Quant. Spectrosc. Rad. Transfer 133 (2014)199-205

Pulsed near-infrared photoacoustic spectroscopy of blood

NASA Astrophysics Data System (ADS)

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

2004-07-01

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

[Infrared spectroscopy based on quantum cascade lasers].

PubMed

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

2013-04-01

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

La Saturated Absorption Spectroscopy for Applications in Quantum Information

NASA Astrophysics Data System (ADS)

Becker, Patrick; Donoghue, Liz; Dungan, Kristina; Liu, Jackie; Olmschenk, Steven

2015-05-01

Quantum information may revolutionize computation and communication by utilizing quantum systems based on matter quantum bits and entangled light. Ions are excellent candidates for quantum bits as they can be well-isolated from unwanted external influences by trapping and laser cooling. Doubly-ionized lanthanum in particular shows promise for use in quantum information as it has infrared transitions in the telecom band, with low attenuation in standard optical fiber, potentially allowing for long distance information transfer. However, the hyperfine splittings of the lowest energy levels, required for laser cooling, have not been measured. We present progress and recent results towards measuring the hyperfine splittings of these levels in lanthanum by saturated absorption spectroscopy with a hollow cathode lamp. This research is supported by the Army Research Office, Research Corporation for Science Advancement, and Denison University.

Quantification of tissue oxygenation levels using diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

B. S., Suresh Anand; N., Sujatha

2011-08-01

Tumor growth is characterized by increased metabolic activity. The light absorption profile of hemoglobin in dysplastic tissue is different from a normal tissue. Neovascularization is a hallmark of many diseases and can serve as a predictive biomarker for the detection of cancers. Spectroscopic techniques can provide information about the metabolic and morphological changes related to the progression of neoplasia. Diffuse reflectance spectroscopy (DRS) measures the absorption and scattering properties of a biological tissue and this method can provide clinically useful information for the early diagnosis of epithelial precancers. We used tissue simulating phantoms with absorbing and scattering molecules for the determination of total hemoglobin concentration, hemoglobin oxygen saturation and intensity difference between the deoxy and oxy hemoglobin bands. The results show promising approach for the differentiating normal and malignant states of a tissue.

The application of Near-Infrared Reflectance Spectroscopy (NIRS) to detect melamine adulteration of soya bean meal.

PubMed

Haughey, Simon A; Graham, Stewart F; Cancouët, Emmanuelle; Elliott, Christopher T

2013-02-15

Soya bean products are used widely in the animal feed industry as a protein based feed ingredient and have been found to be adulterated with melamine. This was highlighted in the Chinese scandal of 2008. Dehulled soya (GM and non-GM), soya hulls and toasted soya were contaminated with melamine and spectra were generated using Near Infrared Reflectance Spectroscopy (NIRS). By applying chemometrics to the spectral data, excellent calibration models and prediction statistics were obtained. The coefficients of determination (R(2)) were found to be 0.89-0.99 depending on the mathematical algorithm used, the data pre-processing applied and the sample type used. The corresponding values for the root mean square error of calibration and prediction were found to be 0.081-0.276% and 0.134-0.368%, respectively, again depending on the chemometric treatment applied to the data and sample type. In addition, adopting a qualitative approach with the spectral data and applying PCA, it was possible to discriminate between the four samples types and also, by generation of Cooman's plots, possible to distinguish between adulterated and non-adulterated samples. Copyright © 2012 Elsevier Ltd. All rights reserved.

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.

Gas sensing properties and in situ diffuse reflectance infrared Fourier transform spectroscopy study of trichloroethylene adsorption and reactions on SnO2 films

NASA Astrophysics Data System (ADS)

Zhang, Zhenxin; Huang, Kaijin; Yuan, Fangli; Xie, Changsheng

2014-05-01

The detection of trichloroethylene has attracted much attention because it has an important effect on human health. The sensitivity of the SnO2 flat-type coplanar gas sensor arrays to 100 ppm trichloroethylene in air was investigated. The adsorption and surface reactions of trichloroethylene were investigated at 100-200 °C by in-situ diffuse reflection Fourier transform infrared spectroscopy (DIRFTS) on SnO2 films. Molecularly adsorbed trichloroethylene, dichloroacetyl chloride (DCAC), phosgene, HCl, CO, H2O, CHCl3, Cl2 and CO2 surface species are formed during trichloroethylene adsorption at 100-200 °C. A possible mechanism of the reaction process is discussed.

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.

Reflectance infrared spectroscopy for in-line monitoring of nicotine during a coating process for an oral thin film.

PubMed

Hammes, Florian; Hille, Thomas; Kissel, Thomas

2014-02-01

A process analytical method using reflectance infrared spectrometry was developed for the in-line monitoring of the amount of the active pharmaceutical ingredient (API) nicotine during a coating process for an oral thin film (OTF). In-line measurements were made using a reflectance infrared (RI) sensor positioned after the last drying zone of the coating line. Real-time spectra from the coating process were used for modelling the nicotine content. Partial least squares (PLS1) calibration models with different data pre-treatments were generated. The calibration model with the most comparable standard error of calibration (SEC) and the standard error of cross validation (SECV) was selected for an external validation run on the production coating line with an independent laminate. Good correlations could be obtained between values estimated from the reflectance infrared data and the reference HPLC test method, respectively. With in-line measurements it was possible to allow real-time adjustments during the production process to keep product specifications within predefined limits hence avoiding loss of material and batch. Copyright © 2013 Elsevier B.V. All rights reserved.

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.

Investigating lignin key features in maize lignocelluloses using infrared spectroscopy.

PubMed

Chazal, Richard; Robert, Paul; Durand, Sylvie; Devaux, Marie-Françoise; Saulnier, Luc; Lapierre, Catherine; Guillon, Fabienne

2014-01-01

Lignins and their cross-linking to hemicelluloses detrimentally affect the cellulose-to-ethanol conversion of grass lignocelluloses. Screening appropriate grass cell walls and their compositional changes during the various steps of the process calls for a high-throughput analytical technique. Such a performance can be fulfilled by Fourier transform mid-infrared (FT-MIR) spectroscopy. In the present paper, a set of maize cell walls from mature stems were selected, including brown midrib samples. Lignin fractions were isolated by mild acidolysis to obtain a set of purified maize lignin standards. The lignin content and the percentage of lignin-derived p-hydroxyphenyl (H), guaiacyl (G), and syringyl (S) thioacidolysis monomers were determined. In addition, the composition of cell wall polysaccharides, as well as the amount of ester-linked p-coumaric (CA) and ferulic (FA) acids, was measured by wet chemistry. Partial least square (PLS) analyses were applied to infrared and chemical data of cell walls. The resulting models showed a good predictive ability with regard to the lignin content, to the frequency of S (or G) thioacidolysis monomers, and to the level of ester-linked CA of maize cell walls. The loading plots and regression coefficients revealed relevant infrared absorption bands.

Broadband infrared imaging spectroscopy for standoff detection of trace explosives

NASA Astrophysics Data System (ADS)

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

2016-05-01

This manuscript describes advancements toward a mobile platform for standoff detection of trace explosives on relevant substrates using broadband infrared spectroscopic imaging. In conjunction with this, we are developing a technology for detection based on photo-thermal infrared (IR) imaging spectroscopy (PT-IRIS). PT-IRIS leverages one or more IR quantum cascade lasers (QCL), tuned to strong absorption bands in the analytes and directed to illuminate an area on a surface of interest. An IR focal plane array is used to image the surface thermal emission upon laser illumination. The PT-IRIS signal is processed as a hyperspectral image cube comprised of spatial, spectral and temporal dimensions as vectors within a detection algorithm. Here we describe methods to increase both sensitivity to trace explosives and selectivity between different analyte types by exploiting a broader spectral range than in previous configurations. Previously we demonstrated PT-IRIS at several meters of standoff distance indoors and in field tests, while operating the lasers below the infrared eye-safe intensity limit (100 mW/cm2). Sensitivity to explosive traces as small as a single 10 μm diameter particle (~1 ng) has been demonstrated.

Screening of patients with bronchopulmonary diseases using methods of infrared laser photoacoustic spectroscopy and principal component analysis

NASA Astrophysics Data System (ADS)

Kistenev, Yury V.; Karapuzikov, Alexander I.; Kostyukova, Nadezhda Yu.; Starikova, Marina K.; Boyko, Andrey A.; Bukreeva, Ekaterina B.; Bulanova, Anna A.; Kolker, Dmitry B.; Kuzmin, Dmitry A.; Zenov, Konstantin G.; Karapuzikov, Alexey A.

2015-06-01

A human exhaled air analysis by means of infrared (IR) laser photoacoustic spectroscopy is presented. Eleven healthy nonsmoking volunteers (control group) and seven patients with chronic obstructive pulmonary disease (COPD, target group) were involved in the study. The principal component analysis method was used to select the most informative ranges of the absorption spectra of patients' exhaled air in terms of the separation of the studied groups. It is shown that the data of the profiles of exhaled air absorption spectrum in the informative ranges allow identifying COPD patients in comparison to the control group.

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.

Near-infrared spectral reflectance of mineral mixtures - Systematic combinations of pyroxenes, olivine, and iron oxides

NASA Technical Reports Server (NTRS)

Singer, R. B.

1981-01-01

Near-infrared spectral reflectance data are presented for systematic variations in weight percent of two component mixtures of ferromagnesium and iron oxide minerals used to study the dark materials on Mars. Olivine spectral features are greatly reduced in contrast by admixture of other phases but remain distinctive even for low olivine contents. Clinopyroxene and orthopyroxene mixtures show resolved pyroxene absorptions near 2 microns. Limonite greatly modifies pyroxene and olivine reflectance, but does not fully eliminate distinctive spectral characteristics. Using only spectral data in the 1 micron region, it is difficult to differentiate orthopyroxene and limonite in a mixture. All composite mineral absorptions were either weaker than or intermediate in strength to the end-member absorptions and have bandwidths greater than or equal to those for the end members. In general, spectral properties in an intimate mixture combine in a complex, nonadditive manner, with features demonstrating a regular but usually nonlinear variation as a function of end-member phase proportions.

Visible and near-infrared (0.4-2.5 μm) reflectance spectra of playa evaporite minerals

USGS Publications Warehouse

Crowley, James K.

1991-01-01

Visible and near-infrared (VNIR; 0.4–2.4 μm) reflectance spectra were recorded for 35 saline minerals that represent the wide range of mineral and brine chemical compositions found in playa evaporite settings. The spectra show that many of the saline minerals exhibit diagnostic near-infrared absorption bands, chiefly attributable to vibrations of hydrogen-bonded structural water molecules. VNIR reflectance spectra can be used to detect minor hydrate phases present in mixtures dominated by anhydrous halite or thenardite, and therefore will be useful in combination with X ray diffraction data for characterizing natural saline mineral assemblages. In addition, VNIR reflectance spectra are sensitive to differences in sample hydration state and should facilitate in situ studies of minerals that occur as fragile, transitory dehydration products in natural salt crusts. The use of spectral reflectance measurements in playa studies should aid in mapping evaporite mineral distributions and may provide insight into the geochemical and hydrological controls on playa mineral and brine development.

N-H stretching modes of adenosine monomer in solution studied by ultrafast nonlinear infrared spectroscopy and ab initio calculations.

PubMed

Greve, Christian; Preketes, Nicholas K; Costard, Rene; Koeppe, Benjamin; Fidder, Henk; Nibbering, Erik T J; Temps, Friedrich; Mukamel, Shaul; Elsaesser, Thomas

2012-07-26

The N-H stretching vibrations of adenine, one of the building blocks of DNA, are studied by combining infrared absorption and nonlinear two-dimensional infrared spectroscopy with ab initio calculations. We determine diagonal and off-diagonal anharmonicities of N-H stretching vibrations in chemically modified adenosine monomer dissolved in chloroform. For the single-quantum excitation manifold, the normal mode picture with symmetric and asymmetric NH(2) stretching vibrations is fully appropriate. For the two-quantum excitation manifold, however, the interplay between intermode coupling and frequency shifts due to a large diagonal anharmonicity leads to a situation where strong mixing does not occur. We compare our findings with previously reported values obtained on overtone spectroscopy of coupled hydrogen stretching oscillators.

Dehydration of Uranyl Nitrate Hexahydrate to Uranyl Nitrate Trihydrate under Ambient Conditions as Observed via Dynamic Infrared Reflectance Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Timothy J.; Sweet, Lucas E.; Meier, David E.

2015-05-22

the hexahydrate [UO 2(NO 3) 2(H 2O) 6] (UNH) and the trihydrate [UO 2(NO 3) 2(H 2O) 3] (UNT) forms. Their stabilities depend on both relative humidity and temperature. Both phases have previously been studied by infrared transmission spectroscopy, but the data were limited by both instrumental resolution and the ability to prepare the samples as pellets without desiccating them. We report time-resolved infrared (IR) measurements using an integrating sphere that allow us to observe the transformation from the hexahydrate to the trihydrate simply by flowing dry nitrogen gas over the sample. Hexahydrate samples were prepared and confirmed via knownmore » XRD patterns, then measured in reflectance mode. The hexahydrate has a distinct uranyl asymmetric stretch band at 949.0 cm -1 that shifts to shorter wavelengths and broadens as the sample dehydrates and recrystallizes to the trihydrate, first as a blue edge shoulder but ultimately resulting in a doublet band with reflectance peaks at 966 and 957 cm -1. The data are consistent with transformation from UNH to UNT since UNT has two non-equivalent UO 2 2+ sites. The dehydration of UO 2(NO 3) 2(H 2O) 6 to UO 2(NO 3) 2(H 2O) 3 is both a morphological and structural change that has the lustrous lime green crystals changing to the dull greenish yellow of the trihydrate. Crystal structures and phase transformation were confirmed theoretically using DFT calculations and experimentally via microscopy methods. Both methods showed a transformation with two distinct sites for the uranyl cation in the trihydrate, as opposed to a single crystallographic site in the hexahydrate.« less

Broadband infrared vibrational nano-spectroscopy using thermal blackbody radiation

DOE PAGES

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

2015-12-03

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

Broadband infrared vibrational nano-spectroscopy using thermal blackbody radiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

Laser plasma x-ray source for ultrafast time-resolved x-ray absorption spectroscopy

DOE PAGES

Miaja-Avila, L.; O'Neil, G. C.; Uhlig, J.; ...

2015-03-02

We describe a laser-driven x-ray plasma source designed for ultrafast x-ray absorption spectroscopy. The source is comprised of a 1 kHz, 20 W, femtosecond pulsed infrared laser and a water target. We present the x-ray spectra as a function of laser energy and pulse duration. Additionally, we investigate the plasma temperature and photon flux as we vary the laser energy. We obtain a 75 μm FWHM x-ray spot size, containing ~10 6 photons/s, by focusing the produced x-rays with a polycapillary optic. Since the acquisition of x-ray absorption spectra requires the averaging of measurements from >10 7 laser pulses, wemore » also present data on the source stability, including single pulse measurements of the x-ray yield and the x-ray spectral shape. In single pulse measurements, the x-ray flux has a measured standard deviation of 8%, where the laser pointing is the main cause of variability. Further, we show that the variability in x-ray spectral shape from single pulses is low, thus justifying the combining of x-rays obtained from different laser pulses into a single spectrum. Finally, we show a static x-ray absorption spectrum of a ferrioxalate solution as detected by a microcalorimeter array. Altogether, our results demonstrate that this water-jet based plasma source is a suitable candidate for laboratory-based time-resolved x-ray absorption spectroscopy experiments.« less

Predicting herbivore faecal nitrogen using a multispecies near-infrared reflectance spectroscopy calibration.

PubMed

Villamuelas, Miriam; Serrano, Emmanuel; Espunyes, Johan; Fernández, Néstor; López-Olvera, Jorge R; Garel, Mathieu; Santos, João; Parra-Aguado, María Ángeles; Ramanzin, Maurizio; Fernández-Aguilar, Xavier; Colom-Cadena, Andreu; Marco, Ignasi; Lavín, Santiago; Bartolomé, Jordi; Albanell, Elena

2017-01-01

Optimal management of free-ranging herbivores requires the accurate assessment of an animal's nutritional status. For this purpose 'near-infrared reflectance spectroscopy' (NIRS) is very useful, especially when nutritional assessment is done through faecal indicators such as faecal nitrogen (FN). In order to perform an NIRS calibration, the default protocol recommends starting by generating an initial equation based on at least 50-75 samples from the given species. Although this protocol optimises prediction accuracy, it limits the use of NIRS with rare or endangered species where sample sizes are often small. To overcome this limitation we tested a single NIRS equation (i.e., multispecies calibration) to predict FN in herbivores. Firstly, we used five herbivore species with highly contrasting digestive physiologies to build monospecies and multispecies calibrations, namely horse, sheep, Pyrenean chamois, red deer and European rabbit. Secondly, the equation accuracy was evaluated by two procedures using: (1) an external validation with samples from the same species, which were not used in the calibration process; and (2) samples from different ungulate species, specifically Alpine ibex, domestic goat, European mouflon, roe deer and cattle. The multispecies equation was highly accurate in terms of the coefficient of determination for calibration R2 = 0.98, standard error of validation SECV = 0.10, standard error of external validation SEP = 0.12, ratio of performance to deviation RPD = 5.3, and range error of prediction RER = 28.4. The accuracy of the multispecies equation to predict other herbivore species was also satisfactory (R2 > 0.86, SEP < 0.27, RPD > 2.6, and RER > 8.1). Lastly, the agreement between multi- and monospecies calibrations was also confirmed by the Bland-Altman method. In conclusion, our single multispecies equation can be used as a reliable, cost-effective, easy and powerful analytical method to assess FN in a wide range of herbivore species.

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.

Structural and Visible-Near Infrared Optical Properties of Cr-Doped TiO2 for Colored Cool Pigments

NASA Astrophysics Data System (ADS)

Yuan, Le; Weng, Xiaolong; Zhou, Ming; Zhang, Qingyong; Deng, Longjiang

2017-11-01

Chromium-doped TiO2 pigments were synthesized via a solid-state reaction method and studied with X-ray diffraction, SEM, XPS, and UV-VIS-NIR reflectance spectroscopy. The incorporation of Cr3+ accelerates the transition from the anatase phase to the rutile phase and compresses the crystal lattice. Moreover, the particle morphology, energy gap, and reflectance spectrum of Cr-doped TiO2 pigments is affected by the crystal structure and doping concentration. For the rutile samples, some of the Cr3+ ions are oxidized to Cr4+ after sintering at a high temperature, which leads to a strong near-infrared absorption band due to the 3A2 → 3 T1 electric dipole-allowed transitions of Cr4+. And the decrease of the band gap causes an obvious redshift of the optical absorption edges as the doping concentration increases. Thus, the VIS and near-infrared average reflectance of the rutile Ti1 - x Cr x O2 sample decrease by 60.2 and 58%, respectively, when the Cr content increases to x = 0.0375. Meanwhile, the color changes to black brown. However, for the anatase Ti1 - x Cr x O2 pigments, only the VIS reflection spectrum is inhibited by forming some characteristic visible light absorption peaks of Cr3+. The morphology, band gap, and NIR reflectance are not significantly affected. Finally, a Cr-doped anatase TiO2 pigment with a brownish-yellow color and 90% near-infrared reflectance can be obtained.

Chemometric compositional analysis of phenolic compounds in fermenting samples and wines using different infrared spectroscopy techniques.

PubMed

Aleixandre-Tudo, Jose Luis; Nieuwoudt, Helene; Aleixandre, Jose Luis; du Toit, Wessel

2018-01-01

The wine industry requires reliable methods for the quantification of phenolic compounds during the winemaking process. Infrared spectroscopy appears as a suitable technique for process control and monitoring. The ability of Fourier transform near infrared (FT-NIR), attenuated total reflectance mid infrared (ATR-MIR) and Fourier transform infrared (FT-IR) spectroscopies to predict compositional phenolic levels during red wine fermentation and aging was investigated. Prediction models containing a large number of samples collected over two vintages from several industrial fermenting tanks as well as wine samples covering a varying number of vintages were validated. FT-NIR appeared as the most accurate technique to predict the phenolic content. Although slightly less accurate models were observed, ATR-MIR and FT-IR can also be used for the prediction of the majority of phenolic measurements. Additionally, the slope and intercept test indicated a systematic error for the three spectroscopies which seems to be slightly more pronounced for HPLC generated phenolics data than for the spectrophotometric parameters. However, the results also showed that the predictions made with the three instruments are statistically comparable. The robustness of the prediction models was also investigated and discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

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

UV-VIS absorption spectroscopy: Lambert-Beer reloaded

NASA Astrophysics Data System (ADS)

Mäntele, Werner; Deniz, Erhan

2017-02-01

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

Monitoring 2-ethylhexyl-4-methoxycinnamate photoisomerization on skin using attenuated total reflection fourier transform infrared spectroscopy.

PubMed

Pangnakorn, P; Nonthabenjawan, R; Ekgasit, S; Thammacharoen, C; Pattanaargson Wanichwecharungruang, S

2007-02-01

Photoisomerization and photodimerization of a widely used UVB filter, 2-ethylhexy-4-methoxycinnamate (EHMC) on a ZnSe surface and baby mouse (Mus musculus Linn.) skin were monitored using attenuated total reflection Fourier transform infrared spectroscopy (ATR-FT-IR). Differentiation between the E- and the Z-EHMC could be achieved by examining the infrared (IR) peak at 981 cm(-1) (b peak), which corresponds to the CH rocking deformation vibration of Ph-CH=CH- detected only in the E configuration. By plotting the ratios of the peak area of the b peak and an internal standard peak (1060-998 cm(-1)) against mole percentage of Z-isomer in the E-Z mixtures, a linear calibration plot was obtained. Thus, a simple estimation of the mole percentage of each configuration in a sample was obtained. At the same UVB exposure, photostationary equilibrium of the E/Z isomerization on the surface varied with the applied amounts of EHMC. Photoisomerizations on ZnSe and on baby mouse skin were comparable. Less than 10% of E-EHMC changed configuration when the mouse skins applied with 1.0-4.0 mg/cm(2) E-EHMC were exposed to sunlight for 60 min (UVB radiant exposure of approximately 0.30 J/cm(2)). This corresponded to less than 5% loss in UV filtering efficiency. However, at a typical EHMC skin coverage ( approximately 0.2 mg/cm(2)), 0.30 J/cm(2) UVB exposure induced approximately 50% photoisomerization resulting in 25% loss of UV filtering efficiency. No photodimerization was detected even at the extreme EHMC coverage of 4.0 mg/cm(2) after a UVB exposure of 0.90 J/cm(2).

Fourier Transform Infrared Absorption Spectroscopy for Quantitative Analysis of Gas Mixtures at Low Temperatures for Homeland Security Applications.

PubMed

Meier, D C; Benkstein, K D; Hurst, W S; Chu, P M

2017-05-01

Performance standard specifications for point chemical vapor detectors are established in ASTM E 2885-13 and ASTM E 2933-13. The performance evaluation of the detectors requires the accurate delivery of known concentrations of the chemical target to the system under test. Referee methods enable the analyte test concentration and associated uncertainties in the analyte test concentration to be validated by independent analysis, which is especially important for reactive analytes. This work extends the capability of a previously demonstrated method for using Fourier transform infrared (FT-IR) absorption spectroscopy for quantitatively evaluating the composition of vapor streams containing hazardous materials at Acute Exposure Guideline Levels (AEGL) to include test conditions colder than laboratory ambient temperatures. The described method covers the use of primary reference spectra to establish analyte concentrations, the generation of secondary reference spectra suitable for measuring analyte concentrations under specified testing environments, and the use of additional reference spectra and spectral profile strategies to mitigate the uncertainties due to impurities and water condensation within the low-temperature (7 °C, -5 °C) test cell. Important benefits of this approach include verification of the test analyte concentration with characterized uncertainties by in situ measurements co-located with the detector under test, near-real-time feedback, and broad applicability to toxic industrial chemicals.

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.