CO Adsorption and Oxidation at the Catalyst-Water Interface: An Investigation by Attenuated Total Reflection Infrared Spectroscopy.

NARCIS (Netherlands)

Ebbesen, S.D.; Mojet, Barbara; Lefferts, Leonardus

2006-01-01

Adsorption of carbon monoxide and oxidation of preadsorbed carbon monoxide from gas and aqueous phases were studied on a platinum catalyst deposited on a ZnSe internal reflection element (IRE) using attenuated total reflection infrared (ATR-IR) spectroscopy. The results of this study convincingly

Autofluorescence and diffuse reflectance patterns in cervical spectroscopy

Science.gov (United States)

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

Angle-resolved reflection spectroscopy of high-quality PMMA opal crystal

Science.gov (United States)

Nemtsev, Ivan V.; Tambasov, Igor A.; Ivanenko, Alexander A.; Zyryanov, Victor Ya.

2018-02-01

PMMA opal crystal was prepared by a simple hybrid method, which includes sedimentation, meniscus formation and evaporation. We investigated three surfaces of this crystal by angle-resolved reflective light spectroscopy and SEM study. The angle-resolved reflective measurements were carried out in the 400-1100 nm range. We have determined the high-quality ordered surface of the crystal region. Narrow particle size distribution of the surface has been revealed. The average particle diameter obtained with SEM was nearly 361 nm. The most interesting result was that reflectivity of the surface turned out up to 98% at normal light incidence. Using a fit of dependences of the maximum reflectivity wavelength from an angle based on the Bragg-Snell law, the wavelength of maximum 0° reflectivity, the particle diameter and the fill factor have been determined. For the best surface maximum reflectivity wavelength of a 0° angle was estimated to be 869 nm. The particle diameter and fill factor were calculated as 372 nm and 0.8715, respectively. The diameter obtained by fitting is in excellent agreement with the particle diameter obtained with SEM. The reflectivity maximum is assumed to increase significantly when increasing the fill factor. We believe that using our simple approach to manufacture PMMA opal crystals will significantly increase the fabrication of high-quality photonic crystal templates and thin films.

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

Science.gov (United States)

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

2013-12-01

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

Reflectance spectroscopy of PMMA implanted with 50 keV silicon ions

Energy Technology Data Exchange (ETDEWEB)

Florian, Bojana [Bulgarian Institute of Metrology, 2 Prof. P. Mutafchiev Str., 1797 Sofia (Bulgaria); Stefanov, Ivan [Department of Quantum Electronics, Faculty of Physics, Sofia University, 5 James Bourchier Blvd., 1164 Sofia (Bulgaria); Hadjichristov, Georgi [Institute of Solid State Physics, 72 Tzarigradsko Chaussee Blvd., 1784 Sofia (Bulgaria)

2009-07-01

Recently, the modification of the specular reflectivity of PMMA implanted with low-energy (50 keV) silicon ions was studied and nano-clusters formed in PMMA by Si{sup +} implantation were evidenced by Raman spectroscopy and electrical measurements. Further, the optical loss due to off-specular (diffuse) reflectivity of this ion-implanted polymer is also of practical interest for applications such as micro-optical lenses, diffraction gratings, Fresnel lenses, waveguides, etc. We examined both specular and diffuse reflectivity of Si{sup +} implanted PMMA in the UV-Vis-NIR. The effect from Si{sup +} implantation in the dose range 10{sup 14}-10{sup 17} ions/cm{sup 2} is linked to the structure formed in PMMA where the buried ion-implanted layer has a thickness up to 100 nm. As compared to the pristine PMMA, an enhancement of the reflectivity of Si{sup +} implanted PMMA is observed, that is attributed to the modification of the subsurface region of PMMA upon the ion implantation.

Assessment of Microcirculatory Hemoglobin Levels in Normal and Diabetic Subjects using Diffuse Reflectance Spectroscopy in the Visible Region — a Pilot Study

Science.gov (United States)

Sujatha, N.; Anand, B. S. Suresh; Nivetha, K. Bala; Narayanamurthy, V. B.; Seshadri, V.; Poddar, R.

2015-07-01

Light-based diagnostic techniques provide a minimally invasive way for selective biomarker estimation when tissues transform from a normal to a malignant state. Spectroscopic techniques based on diffuse reflectance characterize the changes in tissue hemoglobin/oxygenation levels during the tissue transformation process. Recent clinical investigations have shown that changes in tissue oxygenation and microcirculation are observed in diabetic subjects in the initial and progressive stages. In this pilot study, we discuss the potential of diffuse reflectance spectroscopy (DRS) in the visible (Vis) range to differentiate the skin microcirculatory hemoglobin levels between normal and advanced diabetic subjects with and without neuropathy. Average concentration of hemoglobin as well as hemoglobin oxygen saturation within the probed tissue volume is estimated for a total of four different sites in the foot sole. The results indicate a statistically significant decrease in average total hemoglobin and increase in hemoglobin oxygen saturation levels for diabetic foot compared with a normal foot. The present study demonstrates the ability of reflectance spectroscopy in the Vis range to determine and differentiate the changes in tissue hemoglobin and hemoglobin oxygen saturation levels in normal and diabetic subjects.

Reflectance spectroscopy of organic compounds: 1. Alkanes

Science.gov (United States)

Clark, R.N.; Curchin, J.M.; Hoefen, T.M.; Swayze, G.A.

2009-01-01

Reflectance spectra of the organic compounds comprising the alkane series are presented from the ultraviolet to midinfrared, 0.35 to 15.5 /??m. Alkanes are hydrocarbon molecules containing only single carbon-carbon bonds, and are found naturally on the Earth and in the atmospheres of the giant planets and Saturn's moon, Titan. This paper presents the spectral properties of the alkanes as the first in a series of papers to build a spectral database of organic compounds for use in remote sensing studies. Applications range from mapping the environment on the Earth, to the search for organic molecules and life in the solar system and throughout the. universe. We show that the spectral reflectance properties of organic compounds are rich, with major diagnostic spectral features throughout the spectral range studied. Little to no spectral change was observed as a function of temperature and only small shifts and changes in the width of absorption bands were observed between liquids and solids, making remote detection of spectral properties throughout the solar system simpler. Some high molecular weight organic compounds contain single-bonded carbon chains and have spectra similar to alkanes even ' when they fall into other families. Small spectral differences are often present allowing discrimination among some compounds, further illustrating the need to catalog spectral properties for accurate remote sensing identification with spectroscopy.

Tissue differentiation by diffuse reflectance spectroscopy for automated oral and maxillofacial laser surgery: ex vivo pilot study

Science.gov (United States)

Zam, Azhar; Stelzle, Florian; Tangermann-Gerk, Katja; Adler, Werner; Nkenke, Emeka; Schmidt, Michael; Douplik, Alexandre

2010-02-01

Remote laser surgery lacks of haptic feedback during the laser ablation of tissue. Hence, there is a risk of iatrogenic damage or destruction of anatomical structures like nerves or salivary glands. Diffuse reflectance spectroscopy provides a straightforward and simple approach for optical tissue differentiation. We measured diffuse reflectance from seven various tissue types ex vivo. We applied Linear Discriminant Analysis (LDA) to differentiate the seven tissue types and computed the area under the ROC curve (AUC). Special emphasis was taken on the identification of nerves and salivary glands as the most crucial tissue for maxillofacial surgery. The results show a promise for differentiating tissues as guidance for oral and maxillofacial laser surgery by means of diffuse reflectance.

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

Science.gov (United States)

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

2018-04-01

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

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

International Nuclear Information System (INIS)

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

2014-01-01

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

Adsorption of the cysteine–tryptophan dipeptide at the Au(110)/liquid interface studied using reflection anisotropy spectroscopy

DEFF Research Database (Denmark)

Morozzo della Rocca, Blasco; Smith, C I; Tesauro, Cinzia

2010-01-01

The adsorption of a cysteine–tryptophan dipeptide has been monitored at a Au(110)/electrolyte interface using reflection anisotropy spectroscopy. At −0.6 V the dipeptide adsorbed through the formation of Au–S bonds and a link between the NH2 group at the Au surface. As the applied potential...

Infrared reflection absorption spectroscopy study of radiation-heterogeneous processes in the system of aluminum-hexane

International Nuclear Information System (INIS)

Gadzhieva, N.N.; Rimikhanova, A.N.; Garibov, A.A.

2004-01-01

Full text: Infrared reflection absorption spectroscopy (IRRAS) was applied to study the regularities of radiation conversion of hexane on the surface of aluminum. The research object was the thin polished aluminum plate by mark of AD-00 with reflection coefficient R=0.8†0.85 in infrared range λ=2.2†15 μ . As adsorbate unsaturated vapors of spectroscopy clear hexane were used. The absorption of hexane (C 2 H 14 ) was being studied manometric at pressures P=(0.1†1.0)·10 2 Pa , what corresponded to monolayer value of 1-10. The samples were irradiated with γ-quanta of 60 Co with D=1.03 Gy·s -1 doze rate. Infrared reflection spectrum when linear-polarized radiation fall on the sample under angle ψ=10 o was measured by spectrophotometer 'Specord 71 JR' in diapason of 4000-650cm -1 at the temperature by mean of special reflecting arrangements. Formation of molecular hydrogen (H 2 ) and other gaseous products of decomposition were controlled by chromotographical and infrared spectroscopical methods. The analysis of hexane infrared absorption spectra after radiation-stimulated adsorption on the surface of aluminum, points out the formation of H-bonded hydrocarbon complex ( ν∼2680cm -1 ) with much loosening of C-H bond (the molecular form of absorption) and the possibility of proceeding dissociative absorption with formation of metal-alkyls (ν∼2880, 2920, 2970 cm -1 ). Probability of the last mentioned process, which proceeds in the most defective centers, increases with increasing of γ-radiation doze. It was established that the radiation processes in hetero system Al-ads.C 6 H 14 accelerate the radiolysis of hexane. At all these the radiation decomposition of hexane in hetero system Al-ads.C 6 H 14 is accompanied by formation the surface hydrides (ν∼1700-2000 cm -1 ), acetylene (ν∼3200-3300 cm -1 ), ethylene (ν∼980 cm -1 ), and also gaseous products of molecular hydrogen decomposition (H 2 ) and hydrocarbons C 1 -C 5 (bands with maxima 770, 790

Measurement of the band gap by reflection electron energy loss spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Vos, Maarten, E-mail: maarten.vos@anu.edu.au [Electronic Materials Engineering Department, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); King, Sean W. [Logic Technology Development, Intel Corporation, Hillsboro, OR 97124 (United States); French, Benjamin L. [Ocotillo Materials Laboratory, Intel Corporation, Chandler, AZ 85248 (United States)

2016-10-15

Highlights: • Semiconductors are measured (without surface preparation) using REELS. • At low beam energies it is difficult to measure band gap due to surface impurities. • At very high energies it is difficult to measure band gap due to recoil effect. • At intermediate energies (around 5 keV) one obtains a good estimate of the band gap. - Abstract: We investigate the possibilities of measuring the band gap of a variety of semiconductors and insulators by reflection electron energy loss spectroscopy without additional surface preparation. The band gap is a bulk property, whereas reflection energy loss spectroscopy is generally considered a surface sensitive technique. By changing the energy of the incoming electrons, the degree of surface sensitivity can be varied. Here, we present case studies to determine the optimum condition for the determination of the band gap. At very large incoming electron energies recoil effects interfere with the band gap determination, whereas at very low energies surface effects are obscuring the band gap without surface preparation. Using an incoming energy of 5 keV a reasonable estimate of the band gap is obtained in most cases.

Measurement of the band gap by reflection electron energy loss spectroscopy

International Nuclear Information System (INIS)

Vos, Maarten; King, Sean W.; French, Benjamin L.

2016-01-01

Highlights: • Semiconductors are measured (without surface preparation) using REELS. • At low beam energies it is difficult to measure band gap due to surface impurities. • At very high energies it is difficult to measure band gap due to recoil effect. • At intermediate energies (around 5 keV) one obtains a good estimate of the band gap. - Abstract: We investigate the possibilities of measuring the band gap of a variety of semiconductors and insulators by reflection electron energy loss spectroscopy without additional surface preparation. The band gap is a bulk property, whereas reflection energy loss spectroscopy is generally considered a surface sensitive technique. By changing the energy of the incoming electrons, the degree of surface sensitivity can be varied. Here, we present case studies to determine the optimum condition for the determination of the band gap. At very large incoming electron energies recoil effects interfere with the band gap determination, whereas at very low energies surface effects are obscuring the band gap without surface preparation. Using an incoming energy of 5 keV a reasonable estimate of the band gap is obtained in most cases.

[Progress in application of near infrared reflectance spectroscopy to the study of ruminant nutrition].

Science.gov (United States)

Guo, Xu-Sheng; Shang, Zhan-Huan; Fang, Xiang-Wen; Long, Rui-Jun

2009-03-01

The near infrared reflectance spectroscopy (NIRS) technique has been widely used in the study of ruminant nutrition with many of its operational merits such as facility, shortcut and accuracy, etc. Study suggested that the standard error of cross-validation (SECV) ranges from 1.6% to 2.8% in predicting organic matter digestion of ruminant diet by using the NIRS technique; the chemical and biological compositions and the microbial protein proportion in the duodenal digesta can be predicted accurately using the NIRS. However, the kinetic parameters of degradation are not well predicted; The prediction of intake of stall feeding animals by using NIRS is similar to the determination of in vivo method, but the standard error of prediction is about 14% when using the NIRS to predict intake of grazing animals. All of the studies suggest that big progress has been made in using NIRS technique to predict feed digestion and evaluate the diet quality and intake of ruminant animals, which also suggest that the NIRS technique has a wide prospect in the study of ruminant nutrition.

Wall reflection modeling for charge exchange recombination spectroscopy (CXRS) measurements on Textor and ITER

International Nuclear Information System (INIS)

Banerjee, Santanu; Vasu, P; Von Hellermann, M; Jaspers, R J E

2010-01-01

Contamination of optical signals by reflections from the tokamak vessel wall is a matter of great concern. For machines such as ITER and future reactors, where the vessel wall will be predominantly metallic, this is potentially a risk factor for quantitative optical emission spectroscopy. This is, in particular, the case when bremsstrahlung continuum radiation from the bulk plasma is used as a common reference light source for the cross-calibration of visible spectroscopy. In this paper the reflected contribution to the continuum level in Textor and ITER has been estimated for the detection channels meant for charge exchange recombination spectroscopy (CXRS). A model assuming diffuse reflection has been developed for the bremsstrahlung which is a much extended source. Based on this model, it is shown that in the case of ITER upper port 3, a wall with a moderate reflectivity of 20% leads to the wall reflected fraction being as high as 55-60% of the weak signals in the edge channels. In contrast, a complete bidirectional reflectance distribution function (BRDF) based model has been developed in order to estimate the reflections from more localized sources like the charge exchange (CX) emission from a neutral beam in tokamaks. The largest signal contamination of ∼15% is seen in the core CX channels, where the true CX signal level is much lower than that in the edge channels. Similar values are obtained for Textor also. These results indicate that the contributions from wall reflections may be large enough to significantly distort the overall spectral features of CX data, warranting an analysis at different wavelengths.

Wall reflection modeling for charge exchange recombination spectroscopy (CXRS) measurements on Textor and ITER

Energy Technology Data Exchange (ETDEWEB)

Banerjee, Santanu; Vasu, P [Institute for Plasma Research, Bhat, Gandhinagar 382 428, Gujarat (India); Von Hellermann, M [FOM Institute for Plasma Physics, Rijnhuizen (Netherlands); Jaspers, R J E, E-mail: sbanerje@ipr.res.i [Applied Physics Department, Eindhoven University of Technology, Eindhoven (Netherlands)

2010-12-15

Contamination of optical signals by reflections from the tokamak vessel wall is a matter of great concern. For machines such as ITER and future reactors, where the vessel wall will be predominantly metallic, this is potentially a risk factor for quantitative optical emission spectroscopy. This is, in particular, the case when bremsstrahlung continuum radiation from the bulk plasma is used as a common reference light source for the cross-calibration of visible spectroscopy. In this paper the reflected contribution to the continuum level in Textor and ITER has been estimated for the detection channels meant for charge exchange recombination spectroscopy (CXRS). A model assuming diffuse reflection has been developed for the bremsstrahlung which is a much extended source. Based on this model, it is shown that in the case of ITER upper port 3, a wall with a moderate reflectivity of 20% leads to the wall reflected fraction being as high as 55-60% of the weak signals in the edge channels. In contrast, a complete bidirectional reflectance distribution function (BRDF) based model has been developed in order to estimate the reflections from more localized sources like the charge exchange (CX) emission from a neutral beam in tokamaks. The largest signal contamination of {approx}15% is seen in the core CX channels, where the true CX signal level is much lower than that in the edge channels. Similar values are obtained for Textor also. These results indicate that the contributions from wall reflections may be large enough to significantly distort the overall spectral features of CX data, warranting an analysis at different wavelengths.

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

Science.gov (United States)

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

2009-08-01

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

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

Science.gov (United States)

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

2014-01-28

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

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

Science.gov (United States)

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

Real-time reflectance-difference spectroscopy of GaAs molecular beam epitaxy homoepitaxial growth

Energy Technology Data Exchange (ETDEWEB)

Lastras-Martínez, A., E-mail: alm@cactus.iico.uaslp.mx, E-mail: alastras@gmail.com; Ortega-Gallegos, J.; Guevara-Macías, L. E.; Nuñez-Olvera, O.; Balderas-Navarro, R. E.; Lastras-Martínez, L. F. [Instituto de Investigación en Comunicación Optica, Universidad Autónoma de San Luis Potosí, Alvaro Obregón 64, San Luis Potosí, SLP 78000 (Mexico); Lastras-Montaño, L. A. [IBM T. J. Watson Research Center, Yorktown Heights, New York 10598 (United States); Lastras-Montaño, M. A. [Department of Electrical and Computer Engineering, University of California, Santa Barbara, Santa Barbara, California 93106 (United States)

2014-03-01

We report on real time-resolved Reflectance-difference (RD) spectroscopy of GaAs(001) grown by molecular beam epitaxy, with a time-resolution of 500 ms per spectrum within the 2.3–4.0 eV photon energy range. Through the analysis of transient RD spectra we demonstrated that RD line shapes are comprised of two components with different physical origins and determined their evolution during growth. Such components were ascribed to the subsurface strain induced by surface reconstruction and to surface stoichiometry. Results reported in this paper render RD spectroscopy as a powerful tool for the study of fundamental processes during the epitaxial growth of zincblende semiconductors.

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

Science.gov (United States)

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.

Diffuse reflectance spectroscopy : toward real-time quantification of steatosis in liver

NARCIS (Netherlands)

Evers, Daniel J.; Westerkamp, Andrie C.; Spliethoff, Jarich W.; Pully, Vishnu V.; Hompes, Daphne; Hendriks, Benno H. W.; Prevoo, Warner; van Velthuysen, Marie-Louise F.; Porte, Robert J.; Ruers, Theo J. M.

Assessment of fatty liver grafts during orthotopic liver transplantation is a challenge due to the lack of real-time analysis options during surgery. Diffuse reflectance spectroscopy (DRS) could be a new diagnostic tool to quickly assess steatosis. Eight hundred and seventy-eight optical

STUDY OF INK LAYER BY METHOD OF ATTENUATED TOTAL REFLECTANCE SPECTROSCOPY

Directory of Open Access Journals (Sweden)

D. G. Fatkhullina

2016-05-01

Full Text Available Subject of Research. Researchresults of thickness distribution of an ink layer smearedon a glass surface are presented. The orange ink which is used as a coloring pigment in writing instrument (highlighter is selectedasan object of study. Method. Researches were carried out by the method of attenuated total reflectance(ATR spectroscopy. The spectral setup fitted up on the basis of monochromator MDR-204 was usedin the experiment. The peculiarity of the measurement scheme is the applicationofhigh-resolution camera as a radiation detector and information storage as an images package. Researches allowed receivingexperimental data in the form of ink ATR spectra arrayfor studied areas of layer surface in a given spectral range. Main Results. The estimation of ink layer thickness was done, that gives the possibilityto visualize its distribution over the surface using three-dimensional modeling capabilities. The thickness of the ink layer is not more than 0.12 microns and arithmetic mean of the thickness is0.06 microns. The local areas are observed in an ink distribution, they have a maximum layer thickness (0.07-0.12 microns or areas with the ink thickness less then 0.03 microns. Variation of the ink layer thicknessbetween the local areas is smooth. Practical Relevance. The proposed measuring scheme, the sequence of registration and processing of experimental data can be used to studyink distribution within the thickness of a surface layer of other materials,for example, in analysis of signs performed by an ink on paper medium in order to identify them in such areas of science as forensic science andstudy of art.

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

Science.gov (United States)

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.

Quality assessment of terahertz time-domain spectroscopy transmission and reflection modes for graphene conductivity mapping

DEFF Research Database (Denmark)

Mackenzie, David M.A.; Whelan, Patrick Rebsdorf; Bøggild, Peter

2018-01-01

We present a comparative study of electrical measurements of graphene using terahertz time-domain spectroscopy in transmission and reflection mode, and compare the measured sheet conductivity values to electrical van der Pauw measurements made independently in three different laboratories. Overall......, while offering the additional advantages associated with contactless mapping, such as high throughput, no lithography requirement, and with the spatial mapping directly revealing the presence of any inhomogeneities or isolating defects. The confirmation of the accuracy of reflection-mode removes...

Real-time reflectance-difference spectroscopy of GaAs molecular beam epitaxy homoepitaxial growth

Directory of Open Access Journals (Sweden)

A. Lastras-Martínez

2014-03-01

Full Text Available We report on real time-resolved Reflectance-difference (RD spectroscopy of GaAs(001 grown by molecular beam epitaxy, with a time-resolution of 500 ms per spectrum within the 2.3–4.0 eV photon energy range. Through the analysis of transient RD spectra we demonstrated that RD line shapes are comprised of two components with different physical origins and determined their evolution during growth. Such components were ascribed to the subsurface strain induced by surface reconstruction and to surface stoichiometry. Results reported in this paper render RD spectroscopy as a powerful tool for the study of fundamental processes during the epitaxial growth of zincblende semiconductors.

Instrumentation for Reflectance Spectroscopy and Microspectroscopy with Application to Astrobiology

Science.gov (United States)

Mouroulis, Pantazis; Blaney, Diana L.; Green, Robert O.

2008-01-01

We present instrument concepts for in-situ reflectance spectroscopy over a spatial resolution range from several meters to tens of micrometers. These have been adapted to the low mass and power requirements of rover or similar platforms. Described are a miniaturized imaging spectrometer for rover mast, a combined mast and arm point spectrometer, and an imaging microspectrometer for the rover arm.

Prediction of tablets disintegration times using near-infrared diffuse reflectance spectroscopy as a nondestructive method.

Science.gov (United States)

Donoso, M; Ghaly, Evone S

2005-01-01

The goals of this study are to user near-infrared reflectance (NIR) spectroscopy to measure the disintegration time of a series of tablets compacted at different compressional forces, calibrate NIR data vs. laboratory equipment data, develop a model equation, validate the model, and test the model's predictive ability. Seven theophylline tablet formulations of the same composition but with different disintegration time values (0.224, 1.141, 2.797, 5.492, 9.397, 16.8, and 30.092 min) were prepared along with five placebo tablet formulations with different disintegration times. Laboratory disintegration time was compared to near-infrared diffuse reflectance data. Linear regression, quadratic, cubic, and partial least square techniques were used to determine the relationship between disintegration time and near-infrared spectra. The results demonstrated that an increase in disintegration time produced an increase in near-infrared absorbance. Series of model equations, which depended on the mathematical technique used for regression, were developed from the calibration of disintegration time using laboratory equipment vs. the near-infrared diffuse reflectance for each formulation. The results of NIR disintegration time were similar to laboratory tests. The near-infrared diffuse reflectance spectroscopy method is an alternative nondestructive method for measurement of disintegration time of tablets.

Diffuse Reflectance Spectroscopy of Human Skin Using a Commercial Fiber Optic Spectrometer

International Nuclear Information System (INIS)

Atencio, J. A. Delgado; Rodriguez, M. Cunill; Montiel, S. Vazquez y; Castro, Jorge; Rodriguez, A. Cornejo; Gutierrez, J. L.; Martinez, F.; Gutierrez, B.; Orozco, E.

2008-01-01

Diffuse reflectance spectroscopy is a reliable and easy to implement technique in human tissue characterization. In this work we evaluate the performance of the commercial USB4000 miniature fiber optic spectrometer in the in-vivo measurement of the diffuse reflectance spectra of different healthy skin sites and lesions in a population of 54 volunteers. Results show, that this spectrometer reproduces well the typical signatures of skin spectra over the 400-1000 nm region. Remarkable spectral differences exist between lesions and normal surrounding skin. A diffusion-based model was used to simulate reflectance spectra collected by the optical probe of the system

Reflectance spectroscopy of biochemical components as indicators of tea, Camellia Sinensis, quality

NARCIS (Netherlands)

Bian, B.M.; Skidmore, A.K.; Schlerf, M.; Fei, T.; Liu, Y.F.; Wang, T.

2010-01-01

The potential of reflectance spectroscopy to estimate the concentration of biochemical compounds related to tea (Camellia sinensis (L.)) quality (total tea polyphenols and free amino acids) is demonstrated. Partial least squares regression (PLSR) was performed to establish the relationship between

Quantification of hemoglobin and its derivatives in oral cancer diagnosis by diffuse reflectance spectroscopy

Science.gov (United States)

Kaniyappan, Udayakumar; Gnanatheepam, Einstein; Aruna, Prakasarao; Dornadula, Koteeswaran; Ganesan, Singaravelu

2017-02-01

Cancer is one of the most common threat to human beings and it increases at an alarming level around the globe. In recent years, due to the advancements in opto-electronic technology, various optical spectroscopy techniques have emerged to assess the photophysicochemical and morphological conditions of normal and malignant tissues in micro as well as in macroscopic scale. In this regard, diffuse reflectance spectroscopy is considered to be the simplest, cost effective and rapid technique in diagnosis of cancerous tissues. In the present study, the hemoglobin concentration in normal and cancerous oral tissues was quantified and subsequent statistical analysis has been carried out to verify the diagnostic potentiality of the technique.

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

Directory of Open Access Journals (Sweden)

Alessia Daveri

2018-01-01

Full Text Available 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.

Probing near-normally propagating bulk acoustic waves using pseudo-reflection geometry Brillouin spectroscopy

Science.gov (United States)

Parsons, L. C.; Andrews, G. T.

2012-09-01

Pseudo-reflection geometry Brillouin spectroscopy can be used to probe acoustic wave dispersion approximately along the surface normal of a material system while avoiding the difficulties associated with specularly reflected light encountered in an ideal reflection configuration. As an example of its application, we show analytically that it can be used to determine both the refractive index and bulk acoustic mode velocities of optically-isotropic non-metallic materials and confirm the utility of the approach via a series of experiments on fused quartz, gallium phosphide, water, and porous silicon films.

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

International Nuclear Information System (INIS)

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

2005-01-01

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

Determination of soil content in chlordecone (organochlorine pesticide) using near infrared reflectance spectroscopy (NIRS)

International Nuclear Information System (INIS)

Brunet, Didier; Woignier, Thierry; Lesueur-Jannoyer, Magalie; Achard, Raphael; Rangon, Luc; Barthes, Bernard G.

2009-01-01

Chlordecone is a toxic organochlorine insecticide that was used in banana plantations until 1993 in the French West Indies. This study aimed at assessing the potential of near infrared reflectance spectroscopy (NIRS) for determining chlordecone content in Andosols, Nitisols and Ferralsols from Martinique. Using partial least square regression, chlordecone content conventionally determined through gas chromatography-mass spectrometry could be correctly predicted by NIRS (Q 2 = 0.75, R 2 = 0.82 for the total set), especially for samples with chlordecone content -1 or when the sample set was rather homogeneous (Q 2 = 0.91, R 2 = 0.82 for the Andosols). Conventional measures and NIRS predictions were poorly correlated for chlordecone content >12 mg kg -1 , nevertheless ca. 80% samples were correctly predicted when the set was divided into three or four classes of chlordecone content. Thus NIRS could be considered a time- and cost-effective method for characterising soil contamination by chlordecone. - Soil content in chlordecone, an organochlorine insecticide, can be determined time- and cost-effectively using near infrared reflectance spectroscopy (NIRS).

Determination of soil content in chlordecone (organochlorine pesticide) using near infrared reflectance spectroscopy (NIRS)

Energy Technology Data Exchange (ETDEWEB)

Brunet, Didier, E-mail: didier.brunet@ird.f [IRD - Institut de Recherche pour le Developpement, UMR Eco and Sols (Ecologie Fonctionnelle et Biogeochimie des Sols), Montpellier SupAgro, Batiment 12, 2 place Viala, 34060 Montpellier Cedex 1 (France); Woignier, Thierry [IRD, UMR Eco and Sols, PRAM (Pole de Recherche Agronomique de la Martinique), BP 213, Petit Morne, 97232 Le Lamentin, Martinique (French West Indies) (France); CNRS - Centre National de la Recherche Scientifique, Universite Montpellier 2, place Eugene Bataillon, 34095 Montpellier Cedex 5 (France); Lesueur-Jannoyer, Magalie; Achard, Raphael [CIRAD (Centre de Cooperation Internationale en Recherche Agronomique pour le Developpement), PRAM, BP 213, Petit Morne, 97232 Le Lamentin, Martinique (French West Indies) (France); Rangon, Luc [IRD, UMR Eco and Sols, PRAM (Pole de Recherche Agronomique de la Martinique), BP 213, Petit Morne, 97232 Le Lamentin, Martinique (French West Indies) (France); Barthes, Bernard G. [IRD - Institut de Recherche pour le Developpement, UMR Eco and Sols (Ecologie Fonctionnelle et Biogeochimie des Sols), Montpellier SupAgro, Batiment 12, 2 place Viala, 34060 Montpellier Cedex 1 (France)

2009-11-15

Chlordecone is a toxic organochlorine insecticide that was used in banana plantations until 1993 in the French West Indies. This study aimed at assessing the potential of near infrared reflectance spectroscopy (NIRS) for determining chlordecone content in Andosols, Nitisols and Ferralsols from Martinique. Using partial least square regression, chlordecone content conventionally determined through gas chromatography-mass spectrometry could be correctly predicted by NIRS (Q{sup 2} = 0.75, R{sup 2} = 0.82 for the total set), especially for samples with chlordecone content <12 mg kg{sup -1} or when the sample set was rather homogeneous (Q{sup 2} = 0.91, R{sup 2} = 0.82 for the Andosols). Conventional measures and NIRS predictions were poorly correlated for chlordecone content >12 mg kg{sup -1}, nevertheless ca. 80% samples were correctly predicted when the set was divided into three or four classes of chlordecone content. Thus NIRS could be considered a time- and cost-effective method for characterising soil contamination by chlordecone. - Soil content in chlordecone, an organochlorine insecticide, can be determined time- and cost-effectively using near infrared reflectance spectroscopy (NIRS).

Optical Reflection Spectroscopy of GEO Objects

Science.gov (United States)

Seitzer, Patrick; Cardona, Tammaso; Lederer, Susan M.; Cowardin, Heather; Abercromby, Kira J.; Barker, Edwin S.; Bedard, Donald

2013-01-01

We report on optical reflection spectroscopy of geosynchronous (GEO) objects in the US Space Surveillance Network (SSN) catalog. These observations were obtained using imaging spectrographs on the 6.5-m Magellan telescopes at the Las Campanas Observatory in Chile. Our goal is to determine the composition of these objects by comparing these spectral observations with ground-based laboratory measurements of spacecraft materials. The observations are all low resolution (1 nm after smoothing) obtained through a 5 arcsecond wide slit and using a grism as the dispersing element. The spectral range covered was from 450 nm to 800 nm. All spectra were flux calibrated using observations of standard stars with the exact same instrumental setup. An effort was made to obtain all observations within a limited range of topocentric phase angle, although the solar incident angle is unknown due to the lack of any knowledge of the attitude of the observed surface at the time of observation.

Multiple spatially resolved reflection spectroscopy for in vivo determination of carotenoids in human skin and blood

Science.gov (United States)

Darvin, Maxim E.; Magnussen, Björn; Lademann, Juergen; Köcher, Wolfgang

2016-09-01

Non-invasive measurement of carotenoid antioxidants in human skin is one of the important tasks to investigate the skin physiology in vivo. Resonance Raman spectroscopy and reflection spectroscopy are the most frequently used non-invasive techniques in dermatology and skin physiology. In the present study, an improved method based on multiple spatially resolved reflection spectroscopy (MSRRS) was introduced. The results obtained were compared with those obtained using the ‘gold standard’ resonance Raman spectroscopy method and showed strong correlations for the total carotenoid concentration (R  =  0.83) as well as for lycopene (R  =  0.80). The measurement stability was confirmed to be better than 10% within the total temperature range from 5 °C to  +  30 °C and pressure contact between the skin and the MSRRS sensor from 800 Pa to 18 000 Pa. In addition, blood samples taken from the subjects were analyzed for carotenoid concentrations. The MSRRS sensor was calibrated on the blood carotenoid concentrations resulting in being able to predict with a correlation of R  =  0.79. On the basis of blood carotenoids it could be demonstrated that the MSRRS cutaneous measurements are not influenced by Fitzpatrick skin types I-VI. The MSRRS sensor is commercially available under the brand name biozoom.

Application of reflectance spectroscopies (FTIR-ATR & FT-NIR) coupled with multivariate methods for robust in vivo detection of begomovirus infection in papaya leaves

Science.gov (United States)

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.

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

Science.gov (United States)

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.

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

Science.gov (United States)

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

2013-01-02

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

Application of reflectance spectroscopies (FTIR-ATR & FT-NIR) coupled with multivariate methods for robust in vivo detection of begomovirus infection in papaya leaves.

Science.gov (United States)

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

2018-06-05

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 1-2days 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. Copyright © 2018 Elsevier B.V. All rights reserved.

Left Prefrontal Activity Reflects the Ability of Vicarious Fear Learning: A Functional Near-Infrared Spectroscopy Study

Directory of Open Access Journals (Sweden)

Qingguo Ma

2013-01-01

Full Text Available Fear could be acquired indirectly via social observation. However, it remains unclear which cortical substrate activities are involved in vicarious fear transmission. The present study was to examine empathy-related processes during fear learning by-proxy and to examine the activation of prefrontal cortex by using functional near-infrared spectroscopy. We simultaneously measured participants’ hemodynamic responses and skin conductance responses when they were exposed to a movie. In this movie, a demonstrator (i.e., another human being was receiving a classical fear conditioning. A neutral colored square paired with shocks (CSshock and another colored square paired with no shocks (CSno-shock were randomly presented in front of the demonstrator. Results showed that increased concentration of oxygenated hemoglobin in left prefrontal cortex was observed when participants watched a demonstrator seeing CSshock compared with that exposed to CSno-shock. In addition, enhanced skin conductance responses showing a demonstrator's aversive experience during learning object-fear association were observed. The present study suggests that left prefrontal cortex, which may reflect speculation of others’ mental state, is associated with social fear transmission.

Left prefrontal activity reflects the ability of vicarious fear learning: a functional near-infrared spectroscopy study.

Science.gov (United States)

Ma, Qingguo; Huang, Yujing; Wang, Lei

2013-01-01

Fear could be acquired indirectly via social observation. However, it remains unclear which cortical substrate activities are involved in vicarious fear transmission. The present study was to examine empathy-related processes during fear learning by-proxy and to examine the activation of prefrontal cortex by using functional near-infrared spectroscopy. We simultaneously measured participants' hemodynamic responses and skin conductance responses when they were exposed to a movie. In this movie, a demonstrator (i.e., another human being) was receiving a classical fear conditioning. A neutral colored square paired with shocks (CS(shock)) and another colored square paired with no shocks (CS(no-shock)) were randomly presented in front of the demonstrator. Results showed that increased concentration of oxygenated hemoglobin in left prefrontal cortex was observed when participants watched a demonstrator seeing CS(shock) compared with that exposed to CS(no-shock). In addition, enhanced skin conductance responses showing a demonstrator's aversive experience during learning object-fear association were observed. The present study suggests that left prefrontal cortex, which may reflect speculation of others' mental state, is associated with social fear transmission.

Prediction of biogas yield and its kinetics in reed canary grass using near infrared reflectance spectroscopy and chemometrics

DEFF Research Database (Denmark)

Kandel, Tanka Prasad; Gislum, René; Jørgensen, Uffe

2013-01-01

A rapid method is needed to assess biogas and methane yield potential of various kinds of substrate prior to anaerobic digestion. This study reports near infrared reflectance spectroscopy (NIRS) as a rapid alternative method to the conventional batch methods for prediction of specific biogas yield...

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

Science.gov (United States)

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.

Method for rapid multidiameter single-fiber reflectance and fluorescence spectroscopy through a fiber bundle

NARCIS (Netherlands)

Amelink, A.; Hoy, C.L.; Gamm, U.A.; Sterenborg, H.J.C.M.; Robinson, D.J.

2014-01-01

We have recently demonstrated a means for quantifying the absorption and scattering properties of biological tissue through multidiameter single-fiber reflectance (MDSFR) spectroscopy. These measurements can be used to correct single-fiber fluorescence (SFF) spectra for the influence of optical

Reflectance-difference spectroscopy as an optical probe for in situ determination of doping levels in GaAs

Energy Technology Data Exchange (ETDEWEB)

Lastras-Martinez, A.; Lara-Velazquez, I.; Balderas-Navarro, R.E.; Ortega-Gallegos, J.; Guel-Sandoval, S.; Lastras-Martinez, L.F. [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, San Luis Potosi, SLP 78000 (Mexico)

2008-07-01

We report on in situ Reflectance Difference Spectroscopy measurements carried out on GaAs(001). Measurements were performed at temperatures of 580 C and 430 C, in both n and p-type doped films and for both (2 x 4) and c(4 x 4) reconstructions. Samples employed were grown by Molecular Beam Epitaxy with doping levels in the range from 10{sup 16}-10{sup 19} cm{sup -3}. We demonstrate the potential of Reflectance Difference Spectroscopy for impurity level determinations under growth conditions. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Hygrothermal degradation of (3-glycidoxypropyl)trimethoxysilane films studied by neutron and X-ray reflectivity and attenuated total reflection infrared spectroscopy

International Nuclear Information System (INIS)

Tallant, David Robert; Garcia, Manuel Joseph; Majewski, Jaroslaw; Kent, Michael Stuart; Yim, Hyun

2005-01-01

Thin films of organosilanes have great technological importance in the areas of adhesion promotion, durability, and corrosion resistance. However, it is well-known that water can degrade organosilane films, particularly at elevated temperatures. In this work, X-ray and neutron reflectivity (XR and NR) were combined with attenuated total reflection infrared (ATR-IR) spectroscopy to study the chemical and structural changes within thin films of (3-glycidoxypropyl)trimethoxysilane (GPS) after exposure for various periods of time to air saturated with either D 2 O or H 2 O at 80 C. For NR and XR, ultrathin (∼100 (angstrom)) films were prepared by spin-coating. Both D 2 O and H 2 O provide neutron scattering contrast with GPS. Variations in the neutron scattering length density (SLD) profiles (a function of mass density and atomic composition) with conditioning time were measured after drying the samples out and also swelled with H 2 O or D 2 O vapor at room temperature. For samples that were dried out prior to measurement, little or no change was observed for H 2 O conditioning up to 3.5 days, but large changes were observed after 30 days of conditioning. The range of conditioning time for this structural change was narrowed to between 4 and 10 days with XR. The SLD profiles indicated that the top portion of the GPS film was transformed into a thick low-density layer after conditioning, but the bottom portion showed little structural change. A previous NR study of as-prepared GPS films involving swelling with deuterated nitrobenzene showed that the central portion of the film has much lower cross-link density than the region nearest the substrate. The present data show that the central portion also swells to a much greater extent with water and hydrolyzes more rapidly. The chemical degradation mechanism was identified by IR as hydrolysis of siloxane bonds. For ATR-IR, GPS films were prepared by dip-coating, which resulted in a greater and more variable thickness than

Non-invasive detection of periodontal disease using diffuse reflectance spectroscopy: a clinical study

Science.gov (United States)

Prasanth, Chandra Sekhar; Betsy, Joseph; Subhash, Narayanan; Jayanthi, Jayaraj L.; Prasanthila, Janam

2012-03-01

In clinical diagnostic procedures, gingival inflammation is considered as the initial stage of periodontal breakdown. This is often detected clinically by bleeding on probing as it is an objective measure of inflammation. Since conventional diagnostic procedures have several inherent drawbacks, development of novel non-invasive diagnostic techniques assumes significance. This clinical study was carried out in 15 healthy volunteers and 25 patients to demonstrate the applicability of diffuse reflectance (DR) spectroscopy for quantification and discrimination of various stages of inflammatory conditions in periodontal disease. The DR spectra of diseased lesions recorded using a point monitoring system consisting of a tungsten halogen lamp and a fiber-optic spectrometer showed oxygenated hemoglobin absorption dips at 545 and 575 nm. Mean DR spectra on normalization shows marked differences between healthy and different stages of gingival inflammation. Among the various DR intensity ratios investigated, involving oxy Hb absorption peaks, the R620/R575 ratio was found to be a good parameter of gingival inflammation. In order to screen the entire diseased area and its surroundings instantaneously, DR images were recorded with an EMCCD camera at 620 and 575 nm. We have observed that using the DR image intensity ratio R620/R575 mild inflammatory tissues could be discriminated from healthy with a sensitivity of 92% and specificity of 93%, and from moderate with a sensitivity of 83% and specificity of 96%. The sensitivity and specificity obtained between moderate and severe inflammation are 82% and 76% respectively.

A library based fitting method for visual reflectance spectroscopy of human skin

International Nuclear Information System (INIS)

Verkruysse, Wim; Zhang Rong; Choi, Bernard; Lucassen, Gerald; Svaasand, Lars O; Nelson, J Stuart

2005-01-01

The diffuse reflectance spectrum of human skin in the visible region (400-800 nm) contains information on the concentrations of chromophores such as melanin and haemoglobin. This information may be extracted by fitting the reflectance spectrum with an optical diffusion based analytical expression applied to a layered skin model. With the use of the analytical expression, it is assumed that light transport is dominated by scattering. For port wine stain (PWS) and highly pigmented human skin, however, this assumption may not be valid resulting in a potentially large error in visual reflectance spectroscopy (VRS). Monte Carlo based techniques can overcome this problem but are currently too computationally intensive to be combined with previously used fitting procedures. The fitting procedure presented herein is based on a library search which enables the use of accurate reflectance spectra based on forward Monte Carlo simulations or diffusion theory. This allows for accurate VRS to characterize chromophore concentrations in PWS and highly pigmented human skin. The method is demonstrated using both simulated and measured reflectance spectra. An additional advantage of the method is that the fitting procedure is very fast

A library based fitting method for visual reflectance spectroscopy of human skin

Energy Technology Data Exchange (ETDEWEB)

Verkruysse, Wim [Beckman Laser Institute, University of California, Irvine, CA 92612 (United States); Zhang Rong [Beckman Laser Institute, University of California, Irvine, CA 92612 (United States); Choi, Bernard [Beckman Laser Institute, University of California, Irvine, CA 92612 (United States); Lucassen, Gerald [Personal Care Institute, Philips Research, Prof Holstlaan 4, Eindhoven (Netherlands); Svaasand, Lars O [Department of Physical Electronics Norwegian University of Science and Technology, N-7491 Trondheim (Norway); Nelson, J Stuart [Beckman Laser Institute, University of California, Irvine, CA 92612 (United States)

2005-01-07

The diffuse reflectance spectrum of human skin in the visible region (400-800 nm) contains information on the concentrations of chromophores such as melanin and haemoglobin. This information may be extracted by fitting the reflectance spectrum with an optical diffusion based analytical expression applied to a layered skin model. With the use of the analytical expression, it is assumed that light transport is dominated by scattering. For port wine stain (PWS) and highly pigmented human skin, however, this assumption may not be valid resulting in a potentially large error in visual reflectance spectroscopy (VRS). Monte Carlo based techniques can overcome this problem but are currently too computationally intensive to be combined with previously used fitting procedures. The fitting procedure presented herein is based on a library search which enables the use of accurate reflectance spectra based on forward Monte Carlo simulations or diffusion theory. This allows for accurate VRS to characterize chromophore concentrations in PWS and highly pigmented human skin. The method is demonstrated using both simulated and measured reflectance spectra. An additional advantage of the method is that the fitting procedure is very fast.

A library based fitting method for visual reflectance spectroscopy of human skin

Science.gov (United States)

Verkruysse, Wim; Zhang, Rong; Choi, Bernard; Lucassen, Gerald; Svaasand, Lars O.; Nelson, J. Stuart

2005-01-01

The diffuse reflectance spectrum of human skin in the visible region (400-800 nm) contains information on the concentrations of chromophores such as melanin and haemoglobin. This information may be extracted by fitting the reflectance spectrum with an optical diffusion based analytical expression applied to a layered skin model. With the use of the analytical expression, it is assumed that light transport is dominated by scattering. For port wine stain (PWS) and highly pigmented human skin, however, this assumption may not be valid resulting in a potentially large error in visual reflectance spectroscopy (VRS). Monte Carlo based techniques can overcome this problem but are currently too computationally intensive to be combined with previously used fitting procedures. The fitting procedure presented herein is based on a library search which enables the use of accurate reflectance spectra based on forward Monte Carlo simulations or diffusion theory. This allows for accurate VRS to characterize chromophore concentrations in PWS and highly pigmented human skin. The method is demonstrated using both simulated and measured reflectance spectra. An additional advantage of the method is that the fitting procedure is very fast.

The use of UV-visible reflectance spectroscopy as an objective tool to evaluate pearl quality.

Science.gov (United States)

Agatonovic-Kustrin, Snezana; Morton, David W

2012-07-01

Assessing the quality of pearls involves the use of various tools and methods, which are mainly visual and often quite subjective. Pearls are normally classified by origin and are then graded by luster, nacre thickness, surface quality, size, color and shape. The aim of this study was to investigate the capacity of Artificial Neural Networks (ANNs) to classify and estimate the quality of 27 different pearls from their UV-Visible spectra. Due to the opaque nature of pearls, spectroscopy measurements were performed using the Diffuse Reflectance UV-Visible spectroscopy technique. The spectra were acquired at two different locations on each pearl sample in order to assess surface homogeneity. The spectral data (inputs) were smoothed to reduce the noise, fed into ANNs and correlated to the pearl's quality/grading criteria (outputs). The developed ANNs were successful in predicting pearl type, mollusk growing species, possible luster and color enhancing, donor condition/type, recipient/host color, donor color, pearl luster, pearl color, origin. The results of this study shows that the developed UV-Vis spectroscopy-ANN method could be used as a more objective method of assessing pearl quality (grading) and may become a valuable tool for the pearl grading industry.

The study of cyclododecane as a temporary coating for marble by NMR profilometry and FTIR reflectance spectroscopies

Science.gov (United States)

Anselmi, C.; Presciutti, F.; Doherty, B.; Brunetti, B. G.; Sgamellotti, A.; Miliani, C.

2011-07-01

This contribution focuses on an analytical evaluation of the use of cyclododecane (CDD) (C12H24) as a temporary protective coating for non-porous stone materials of cultural heritage interest. A facile solvent spray application technique for the production of an adherent continuous film has been assessed. The criterion for monitoring the sublimation of the cyclododecane film on marble has been established through the use of non-invasive analytical techniques so as to avoid any interaction with the process under study, where results serve to integrate and enhance knowledge into the use of cyclododecane in this discipline. Research is directed towards testing the applicability of portable infrared reflectance spectroscopy and nuclear magnetic resonance profilometry systems to follow the in-situ behavior of temporary consolidants. In particular, the coupling of two spectroscopic techniques such as IR and NMR has been possible, enabling the descriptions of both the formation of the film and its kinetics of sublimation.

Surface characterization of selected polymer thin films by total-reflection x-ray fluorescence spectroscopy and x-ray reflectivity

International Nuclear Information System (INIS)

Innis, Vallerie Ann A.

2006-01-01

Development of available x-ray characterizations tools for grazing incidence techniques was done to be able to probe nano-size thin films. Alignment of a Philips x-ray powder diffractometer was improved to let it perform as an x-ray reflectometer. X-ray reflectometry was coupled with total-reflection x-ray fluorescence spectroscopy. Evaluation of the performance of this grazing incidence techniques was done by preparing polymer thin films of carboxymethylcellulose, carrageenan and polyvinylpyrrolidone (PVP). The thickness of the films were varied by varying the process parameters such as concentration, spin speed and spin time. Angle-dispersive total-reflection x-ray fluorescence spectroscopy profiles of three films showed film formation only in carrageenan and PVP. For both carrageenan and PVP, an increase in concentration yielded a corresponding increase in intensity of the fluorescent or scattered peaks. XRR profiles of carrageenan thin films yielded a mean value for the critical angle close to quartz substrate. Thickness measurements of the prepared carrageenan thin films showed that concentration was the main determinant for final film thickness over the other process parameters. Sulfur fluorescent intensity derived from the TXRF measurement showed a linear relationship with the measured thickness by XRR. For PVP, measured critical angle is lower than quartz. Poor adhesion of the polymer onto the substrate yielded a limited number of thickness measurements made from the XRR profiles. (Author)

Diffuse reflectance spectroscopy: a new guidance tool for improvement of biopsy procedures in lung malignancies

NARCIS (Netherlands)

Evers, Daniel; Evers, D.J.; Nachabe, R.; Klomp, H.M.; van Sandick, J.W.; Wouters, M.W.; Lucassen, G.W.; Lucassen, Gerald; Hendriks, B.H.; Wesseling, J.; Ruers, Theo J.M.

2012-01-01

Background: A significant number of percutaneous intrathoracic biopsy procedures result in indeterminate cytologic or histologic diagnosis in clinical practice. Diffuse reflectance spectroscopy (DRS) is an optical technique that can distinguish different tissue types on a microscopic level. DRS may

Monitoring of caffeine consumption effect on skin blood properties by diffuse reflectance spectroscopy

Science.gov (United States)

Milanic, Matija; Marin, Ana; Stergar, Jost; Verdel, Nina; Majaron, Boris

2017-07-01

Caffeine is the most widely consumed psychoactive substance in the world. It affects many tissues and organs, in particular central nervous system, heart, and blood vessels. The effect of caffeine on vascular smooth muscle cells is an initial transient contraction followed by significant vasodilatation. In this study we investigate the use of diffuse reflectance spectroscopy (DRS) for monitoring of vascular changes in human skin induced by caffeine consumption. DRS spectra were recorded on volar sides of the forearms of ten healthy volunteers at time delays of 0, 30, 60, 120, and 180 minutes after consumption of caffeine, while one subject served as a negative control. Analytical diffusion approximation solutions for diffuse reflectance from three-layer structures were used to assess skin composition (e.g., dermal blood volume fraction and oxygen saturation) by fitting to experimental data. The results demonstrate that cutaneous vasodynamics induced by caffeine consumption can be monitored by DRS, while changes in the control subject not consuming caffeine were insignificant.

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

International Nuclear Information System (INIS)

Olejnik, Piotr; Pawłowska, Aleksandra; Pałys, Barbara

2013-01-01

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

[Comparative study of reflectance spectroscopy of women's acupoints around menstruation].

Science.gov (United States)

Jiang, Xing-Hui; Liu, Han-Ping; Guo, Zhou-Yi; Meng, Yao-Yong; Zeng, Chang-Chun; Liu, Song-Hao

2010-12-01

Acupoint was reaction of viscera and its optical parameter was an important characteristic of tissue. In the present work, in order to discuss specificity of acupuncture on the response of qi and blood in human body, we compared the diffuse reflectance of Taichong (LV3), Taibai (SP3), and Chongyang (ST42) before, during and after menstruation. All the acupoints had the same shape of the spectrum and troughs were all at 423.16, 544.06 and 577.47 nm. The values of reflectance during menstruation were greater than before and after menstruation, especially for SP3 and ST42 (P menstruation. Diffuse reflectance may be possibly used in the quantitative analysis of qi and blood.

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

Science.gov (United States)

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

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

Science.gov (United States)

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.

Impact of one-layer assumption on diffuse reflectance spectroscopy of skin

Science.gov (United States)

Hennessy, Ricky; Markey, Mia K.; Tunnell, James W.

2015-02-01

Diffuse reflectance spectroscopy (DRS) can be used to noninvasively measure skin properties. To extract skin properties from DRS spectra, you need a model that relates the reflectance to the tissue properties. Most models are based on the assumption that skin is homogenous. In reality, skin is composed of multiple layers, and the homogeneity assumption can lead to errors. In this study, we analyze the errors caused by the homogeneity assumption. This is accomplished by creating realistic skin spectra using a computational model, then extracting properties from those spectra using a one-layer model. The extracted parameters are then compared to the parameters used to create the modeled spectra. We used a wavelength range of 400 to 750 nm and a source detector separation of 250 μm. Our results show that use of a one-layer skin model causes underestimation of hemoglobin concentration [Hb] and melanin concentration [mel]. Additionally, the magnitude of the error is dependent on epidermal thickness. The one-layer assumption also causes [Hb] and [mel] to be correlated. Oxygen saturation is overestimated when it is below 50% and underestimated when it is above 50%. We also found that the vessel radius factor used to account for pigment packaging is correlated with epidermal thickness.

Portable laser-induced breakdown spectroscopy/diffuse reflectance hybrid spectrometer for analysis of inorganic pigments

Science.gov (United States)

Siozos, Panagiotis; Philippidis, Aggelos; Anglos, Demetrios

2017-11-01

A novel, portable spectrometer, combining two analytical techniques, laser-induced breakdown spectroscopy (LIBS) and diffuse reflectance spectroscopy, was developed with the aim to provide an enhanced instrumental and methodological approach with regard to the analysis of pigments in objects of cultural heritage. Technical details about the hybrid spectrometer and its operation are presented and examples are given relevant to the analysis of paint materials. Both LIBS and diffuse reflectance spectra in the visible and part of the near infrared, corresponding to several neat mineral pigment samples, were recorded and the complementary information was used to effectively distinguish different types of pigments even if they had similar colour or elemental composition. The spectrometer was also employed in the analysis of different paints on the surface of an ancient pottery sherd demonstrating the capabilities of the proposed hybrid diagnostic approach. Despite its instrumental simplicity and compact size, the spectrometer is capable of supporting analytical campaigns relevant to archaeological, historical or art historical investigations, particularly when quick data acquisition is required in the context of surveys of large numbers of objects and samples.

Fiber optics reflectance spectroscopy (45°x: 45°) for color analysis of dental composite.

Science.gov (United States)

Gargano, Marco; Ludwig, Nicola; Federighi, Veronica; Sykes, Ros; Lodi, Giovanni; Sardella, Andrea; Carrassi, Antonio; Varoni, Elena M

2016-08-01

To evaluate the application of a fiber optic reflectance spectroscopy (FORS) prototype probe for 45°x: 45° FORS for determining color of dental materials. A portable spectrophotometer with a highly manageable fiber optics co-axial probe was used to apply 45°x: 45° FORS for color matching in restorative dentistry. The color coordinates in CIELAB space of two dental shade guides and of the corresponding photopolymerized composites were collected and compared. The 45°x: 45° FORS with the co-axial probe (test system), the integrating sphere spectroscopy (reference system) and a commercial dental colorimeter (comparator system) were used to collect data and calculate color differences (ΔE and ΔE00). FORS system displayed high repeatability, reproducibility and accuracy. ΔE and ΔE00 values between the shade-guide, each other, and the corresponding composites resulted above the clinically acceptable limit. The 45°x: 45° FORS test system demonstrated suitable in vitro performance for dental composite color evaluation. 45°x: 45° fiber optic reflectance spectroscopy allows reliable color analysis of small surfaces of dental composites, favoring the color matching of material with the closely surrounding dental tissue, and confirming significant color differences between shade guide tabs and photo-polymerized composites.

Analysis of contaminants on electronic components by reflectance FTIR spectroscopy

International Nuclear Information System (INIS)

Griffith, G.W.

1982-09-01

The analysis of electronic component contaminants by infrared spectroscopy is often a difficult process. Most of the contaminants are very small, which necessitates the use of microsampling techniques. Beam condensers will provide the required sensitivity but most require that the sample be removed from the substrate before analysis. Since it can be difficult and time consuming, it is usually an undesirable approach. Micro ATR work can also be exasperating, due to the difficulty of positioning the sample at the correct place under the ATR plate in order to record a spectrum. This paper describes a modified reflection beam condensor which has been adapted to a Nicolet 7199 FTIR. The sample beam is directed onto the sample surface and reflected from the substrate back to the detector. A micropositioning XYZ stage and a close-focusing telescope are used to position the contaminant directly under the infrared beam. It is possible to analyze contaminants on 1 mm wide leads surrounded by an epoxy matrix using this device. Typical spectra of contaminants found on small circuit boards are included

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

Science.gov (United States)

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.

Detection of precancerous lesions in the oral cavity using oblique polarized reflectance spectroscopy: a clinical feasibility study

Science.gov (United States)

Bailey, Maria J.; Verma, Nishant; Fradkin, Leonid; Lam, Sylvia; MacAulay, Calum; Poh, Catherine; Markey, Mia K.; Sokolov, Konstantin

2017-06-01

We developed a multifiber optical probe for oblique polarized reflectance spectroscopy (OPRS) in vivo and evaluated its performance in detection of dysplasia in the oral cavity. The probe design allows the implementation of a number of methods to enable depth resolved spectroscopic measurements including polarization gating, source-detector separation, and differential spectroscopy; this combination was evaluated in carrying out binary classification tasks between four major diagnostic categories: normal, benign, mild dysplasia (MD), and severe dysplasia (SD). Multifiber OPRS showed excellent performance in the discrimination of normal from benign, MD, SD, and MD plus SD yielding sensitivity/specificity values of 100%/93%, 96%/95%, 100%/98%, and 100%/100%, respectively. The classification of benign versus dysplastic lesions was more challenging with sensitivity and specificity values of 80%/93%, 71%/93%, and 74%/80% in discriminating benign from SD, MD, and SD plus MD categories, respectively; this challenge is most likely associated with a strong and highly variable scattering from a keratin layer that was found in these sites. Classification based on multiple fibers was significantly better than that based on any single detection pair for tasks dealing with benign versus dysplastic sites. This result indicates that the multifiber probe can perform better in the detection of dysplasia in keratinized tissues.

The application of Near Infrared Reflectance Spectroscopy (NIRS) for the quantitative analysis of hydrocortisone in primary materials

OpenAIRE

A. PITTAS; C. SERGIDES; K. NIKOLICH

2001-01-01

Near Infrared Reflectance Spectroscopy (NIRS), coupled with fiber optic probes, has been shown to be a quick and reliable analytical tool for quality assurance and quality control in the pharmaceutical industry, both for verifications of raw materials and quantification of the active ingredients in final products. In this paper, a typical pharmaceutical product, hydrocortisone sodium succinate, is used as an example for the application of NIR spectroscopy for quality control. In order to deve...

On the prediction of threshold friction velocity of wind erosion using soil reflectance spectroscopy

Science.gov (United States)

Li, Junran; Flagg, Cody B.; Okin, Gregory S.; Painter, Thomas H.; Dintwe, Kebonye; Belnap, Jayne

2015-01-01

Current approaches to estimate threshold friction velocity (TFV) of soil particle movement, including both experimental and empirical methods, suffer from various disadvantages, and they are particularly not effective to estimate TFVs at regional to global scales. Reflectance spectroscopy has been widely used to obtain TFV-related soil properties (e.g., moisture, texture, crust, etc.), however, no studies have attempted to directly relate soil TFV to their spectral reflectance. The objective of this study was to investigate the relationship between soil TFV and soil reflectance in the visible and near infrared (VIS–NIR, 350–2500 nm) spectral region, and to identify the best range of wavelengths or combinations of wavelengths to predict TFV. Threshold friction velocity of 31 soils, along with their reflectance spectra and texture were measured in the Mojave Desert, California and Moab, Utah. A correlation analysis between TFV and soil reflectance identified a number of isolated, narrow spectral domains that largely fell into two spectral regions, the VIS area (400–700 nm) and the short-wavelength infrared (SWIR) area (1100–2500 nm). A partial least squares regression analysis (PLSR) confirmed the significant bands that were identified by correlation analysis. The PLSR further identified the strong relationship between the first-difference transformation and TFV at several narrow regions around 1400, 1900, and 2200 nm. The use of PLSR allowed us to identify a total of 17 key wavelengths in the investigated spectrum range, which may be used as the optimal spectral settings for estimating TFV in the laboratory and field, or mapping of TFV using airborne/satellite sensors.

Terahertz time-domain attenuated total reflection spectroscopy applied to the rapid discrimination of the botanical origin of honeys

Science.gov (United States)

Liu, Wen; Zhang, Yuying; Yang, Si; Han, Donghai

2018-05-01

A new technique to identify the floral resources of honeys is demanded. Terahertz time-domain attenuated total reflection spectroscopy combined with chemometrics methods was applied to discriminate different categorizes (Medlar honey, Vitex honey, and Acacia honey). Principal component analysis (PCA), cluster analysis (CA) and partial least squares-discriminant analysis (PLS-DA) have been used to find information of the botanical origins of honeys. Spectral range also was discussed to increase the precision of PLS-DA model. The accuracy of 88.46% for validation set was obtained, using PLS-DA model in 0.5-1.5 THz. This work indicated terahertz time-domain attenuated total reflection spectroscopy was an available approach to evaluate the quality of honey rapidly.

Andreev Reflection Spectroscopy of Nb-doped Bi2Se3 Topological Insulator

Science.gov (United States)

Kurter, C.; Finck, A. D. K.; Qiu, Y.; Huemiller, E.; Weis, A.; Atkinson, J.; Medvedeva, J.; Hor, Y. S.; van Harlingen, D. J.

2015-03-01

Doped topological insulators are speculated to realize p-wave superconductivity with unusual low energy quasiparticles, such as surface Andreev bound states. We present point contact spectroscopy of thin exfoliated flakes of Nb-doped Bi2Se3 where superconductivity persists up to ~ 1 K, compared to 3.2 K in bulk crystals. The critical magnetic field is strongly anisotropic, consistent with quasi-2D behavior. Andreev reflection measurements of devices with low resistance contacts result in prominent BTK-like behavior with an enhanced conductance plateau at low bias. For high resistance contacts, we observe a split zero bias conductance anomaly and additional features at the superconducting gap. Our results suggest that this material is a promising platform for studying topological superconductivity. We acknowledge support from Microsoft Project Q.

UV-Vis reflection spectroscopy under variable angle incidence at the air-liquid interface.

Science.gov (United States)

Roldán-Carmona, Cristina; Rubia-Payá, Carlos; Pérez-Morales, Marta; Martín-Romero, María T; Giner-Casares, Juan J; Camacho, Luis

2014-03-07

The UV-Vis reflection spectroscopy (UV-Vis-RS) in situ at the air-liquid interface provides information about tilt and aggregation of chromophores in Langmuir monolayers. This information is particularly important given in most cases the chromophore is located at the polar region of the Langmuir monolayer. This region of the Langmuir monolayers has been hardly accessible by other experimental techniques. In spite of its enormous potential, the application of UV-Vis-RS has been limited mainly to reflection measurements under light normal incidence or at lower incidence angles than the Brewster angle. Remarkably, this technique is quite sensitive to the tilt of the chromophores at values of incidence angles close to or larger than the Brewster angle. Therefore, a novel method to obtain the order parameter of the chromophores at the air-liquid interface by using s- and p-polarized radiation at different incidence angles is proposed. This method allowed for the first time the experimental observation of the two components with different polarization properties of a single UV-Vis band at the air-liquid interface. The method of UV-Vis spectroscopy under variable angle incidence is presented as a new tool for obtaining rich detailed information on Langmuir monolayers.

Diffuse Reflectance Spectroscopy of Hidden Objects, Part I: Interpretation of the Reflection-Absorption-Scattering Fractions in Near-Infrared (NIR) Spectra of Polyethylene Films.

Science.gov (United States)

Pomerantsev, Alexey L; Rodionova, Oxana Ye; Skvortsov, Alexej N

2017-08-01

Investigation of a sample covered by an interfering layer is required in many fields, e.g., for process control, biochemical analysis, and many other applications. This study is based on the analysis of spectra collected by near-infrared (NIR) diffuse reflectance spectroscopy. Each spectrum is a composition of a useful, target spectrum and a spectrum of an interfering layer. To recover the target spectrum, we suggest using a new phenomenological approach, which employs the multivariate curve resolution (MCR) method. In general terms, the problem is very complex. We start with a specific problem of analyzing a system, which consists of several layers of polyethylene (PE) film and underlayer samples with known spectral properties. To separate information originating from PE layers and the target, we modify the system versus both the number of the PE layers as well as the reflectance properties of the target sample. We consider that the interfering spectrum of the layer can be modeled using three components, which can be tentatively called transmission, absorption, and scattering contributions. The novelty of our approach is that we do not remove the reflectance and scattering effects from the spectra, but study them in detail aiming to use this information to recover the target spectrum.

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

DEFF Research Database (Denmark)

Fitamo, Temesgen Mathewos; Triolo, Jin Mi; Boldrin, Alessio

2017-01-01

. 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 (R2) and root mean square error in prediction (RMSEP) of the UOW model were 0.88 and 44 mL CH4/g VS, while the combined model was 0.89 and 50 mL CH4/g VS. Improved model performance was obtained for the two individual models compared to the combined version...

Total internal reflection sum-frequency generation spectroscopy and dense gold nanoparticles monolayer: a route for probing adsorbed molecules

International Nuclear Information System (INIS)

Tourillon, Gerard; Dreesen, Laurent; Volcke, Cedric; Sartenaer, Yannick; Thiry, Paul A; Peremans, Andre

2007-01-01

We show that sum-frequency generation spectroscopy performed in the total internal reflection configuration (TIR-SFG) combined with a dense gold nanoparticles monolayer allows us to study, with an excellent signal to noise ratio and high signal to background ratio, the conformation of adsorbed molecules. Dodecanethiol (DDT) was used as probe molecules in order to assess the potentialities of the approach. An enhancement of more than one order of magnitude of the SFG signals arising from the adsorbed species is observed with the TIR geometry compared to the external reflection one while the SFG non-resonant contribution remains the same for both configurations. Although further work is required to fully understand the origin of the SFG process on nanoparticles, our work opens new possibilities for studying nanostructures

Diffuse reflectance spectroscopy for optical nerve identification. Preliminary ex vivo results for feedback controlled oral and maxillofacial laser surgery

Science.gov (United States)

Stelzle, Florian; Zam, Azhar; Adler, Werner; Douplik, Alexandre; Tangermann-Gerk, Katja; Nkenke, Emeka; Neukam, Friedrich Wilhelm; Schmidt, Michael

Objective: Laser surgery has many advantages. However, due to a lack of haptic feedback it is accompanied by the risk of iatrogenic nerve damage. The aim of this study was to evaluate the possibilities of optical nerve identification by diffuse reflectance spectroscopy to set the base for a feedback control system to enhance nerve preservation in oral and maxillofacial laser surgery. Materials and Methods: Diffuse reflectance spectra of nerve tissue, skin, mucosa, fat tissue, muscle, cartilage and bone (15120 spectra) of ex vivo pig heads were acquired in the wavelength range of 350-650 nm. Tissue differentiation was performed by principal components analysis (PCA) followed by linear discriminant analysis (LDA). Specificity and sensitivity were calculated by receiver operating characteristic (ROC) analysis and the area under curve (AUC). Results: Nerve tissue could correctly be identified and differed from skin, mucosa, fat tissue, muscle, cartilage and bone in more than 90% of the cases (AUC results) with a specificity of over 78% and a sensitivity of more than 86%. Conclusion: Nerve tissue can be identified by diffuse reflectance spectroscopy with high precision and reliability. The results may set the base for a feedback system to prevent iatrogenic nerve damage performing oral and maxillofacial laser surgery.

Using reflectance spectroscopy to predict beef tenderness.

Science.gov (United States)

Bowling, M B; Vote, D J; Belk, K E; Scanga, J A; Tatum, J D; Smith, G C

2009-05-01

A study was conducted to determine if reflectance measurements made in the near-infrared region of the spectrum were additive to reflectance measurements made in the visible region of the spectrum for predicting Warner-Bratzler shear force (WBSF) values. Eighty seven strip loins were collected following fabrication over 3d at a commercial beef processing facility from heifer carcasses with Slight or Traces marbling scores. Spectroscopic measurements were made at approximately 50h postmortem using a Hunter-Lab UltraScan. Subsequently, all strip loins were aged for 14d, cooked to an internal temperature of 70°C, and sheared to obtain WBSF values. Reflectance measurements obtained in the near-infrared region of the spectrum were correlated with WBSF values, however, these measurements were not additive to the predictive ability of reflectance measurements (R(2) values did not differ) made in the visible portion of the spectrum when the use of broad-band wavelength filters were simulated. It was therefore determined, that both the visible and near-infrared spectra measure reflectance and that both methods are acceptable methods of tenderness prediction.

Quantitative Analysis of Total Petroleum Hydrocarbons in Soils: Comparison between Reflectance Spectroscopy and Solvent Extraction by 3 Certified Laboratories

Directory of Open Access Journals (Sweden)

Guy Schwartz

2012-01-01

Full Text Available The commonly used analytic method for assessing total petroleum hydrocarbons (TPH in soil, EPA method 418.1, is usually based on extraction with 1,1,2-trichlorotrifluoroethane (Freon 113 and FTIR spectroscopy of the extracted solvent. This method is widely used for initial site investigation, due to the relative low price per sample. It is known that the extraction efficiency varies depending on the extracting solvent and other sample properties. This study’s main goal was to evaluate reflectance spectroscopy as a tool for TPH assessment, as compared with three commercial certified laboratories using traditional methods. Large variations were found between the results of the three commercial laboratories, both internally (average deviation up to 20%, and between laboratories (average deviation up to 103%. Reflectance spectroscopy method was found be as good as the commercial laboratories in terms of accuracy and could be a viable field-screening tool that is rapid, environmental friendly, and cost effective.

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

Science.gov (United States)

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

2011-03-01

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

A pilot study on the use of optical spectroscopy to detection of liver fibrosis

International Nuclear Information System (INIS)

Fabila, A; La Rosa, J. de; Stolik, S.; Escobedo, C.; Suarez Alvarez, K.; Lopez Navarrete, G.

2012-01-01

In this paper we present the preliminary study to evaluate the use of optical spectroscopy as a tool to detect liver fibrosis. In vivo fluorescence and diffuse reflectance spectra were acquired from male rats in which fibrosis were induced by means of carbon tetrachloride. Spectral measurements were obtained using a portable system with an excitation source of 365 nm and a fiber-optic probe. The livers from rats with fibrosis showed an increase in fluorescence and diffuse reflectance intensity when compared to normal liver tissue. A support vector machine discrimination algorithm based on fluorescence and diffuse reflectance intensities at 493 and 365 nm was developed. This algorithm yields a sensitivity and specificity of 88% and 94%, respectively, in differentiating fibrotic liver from normal liver tissue. the results obtained in this study suggest that optical spectroscopy could be worthy of further exploration in patients. (Author)

Monitoring the in-situ oxide growth on uranium by ultraviolet-visible reflectance spectroscopy

Science.gov (United States)

Schweke, Danielle; Maimon, Chen; Chernia, Zelig; Livneh, Tsachi

2012-11-01

We demonstrate the in-situ monitoring of oxide growth on U-0.1 wt. % Cr by means of UV-visible reflectance spectroscopy in the thickness range of ˜20-150 nm. Two different approaches are presented: In the "modeling approach," we employ a model for a metallic substrate covered by a dielectric layer, while taking into account the buildup of oxygen gradient and surface roughness. Then, we fit the simulated spectra to the experimental one. In the "extrema analysis," we derive an approximated analytical expression, which relates the oxide thickness to the position of the extrema in the reflectance spectra based on the condition for optical interference of the reflected light. Good agreement is found between the values extracted by the two procedures. Activation energy of ˜21 kcal/mole was obtained by monitoring the oxide growth in the temperature range of 22-90 °C. The upper bound for the thickness determination is argued to be mostly dictated by cracking and detachment processes in the formed oxide.

Surface energy loss processes in XPS studied by absolute reflection electron energy loss spectroscopy

International Nuclear Information System (INIS)

Nagatomi, T.; Goto, K.

2010-01-01

The results of the investigation of the inelastic interaction of 300-3000 eV electrons with the Ni and Au surfaces by the analysis of absolute reflection electron energy loss spectroscopy (REELS) spectra were described. The present analysis enables the inelastic mean free path (IMFP), surface excitation parameter (SEP) and differential SEP (DSEP) to be obtained simultaneously from an absolute REELS spectrum. The obtained IMFPs for Ni and Au showed a good agreement with those calculated using the TPP-2M predictive equation. The present SEPs determined for Ni and Au were fitted to the Chen's formula describing the dependence of the SEP on the electron energy, and material parameters for Ni and Au in Chen's formula were proposed. The present DESPs were compared with the theoretical results, and a reasonable agreement between the experimentally determined DSEPs and theoretical results was confirmed. The MC modeling of calculating the REELS spectrum, in which energy loss processes due to surface excitations are taken into account, was also described. The IMFP, SEP and DSEP determined by the present absolute REELS analysis were employed to describe energy loss processes by inelastic scattering in the proposed MC simulation. The simulated REELS spectra were found to be in a good agreement with the experimental spectra for both Ni and Au.

FORS, Fiber Optics Reflectance Spectroscopy con gli spettrometri miniaturizzati per l’identificazione dei pigmenti

Directory of Open Access Journals (Sweden)

Antonino Cosentino

2014-01-01

Full Text Available AbstractQuesto articolo riporta i risultati del test di un sistema FORS (Fiber Optics Reflectance Spectroscopy assemblato con componenti Ocean Optics. Questa ditta ha sviluppato una linea di spettrometri miniaturizzati e dal costo estremamente contenuto. Le trascurabili dimensioni e peso di questo sistema FORS lo rendono uno strumento assolutamente adatto alle indagini dell’arte in cantiere. Sono stati testati 54 pigmenti storici in polvere e stesi con gomma arabica, tempera all’uovo, olio e affresco. Il sistema è stato provato su un quadro dell’800 e su opere murali del barocco siciliano.   This paper shows the results of the testing of a FORS (Fiber Optics Reflectance Spectroscopy system assembled with Ocean Optics components and featuring a USB4000 miniaturized and low cost spectrometer. The small dimensions and little weight of this FORS system make it adapt for the specific needs of art examination in the field. 54 historical pigments have been tested both in powder and laid with gum Arabic, egg tempera, linseed oil and fresco. The FORS system was also tested on a 1800s oil painting and on 1700s Sicilian baroque murals and the results compared with multispectral imaging analysis.   

The role of total-reflection x-ray fluorescence in atomic spectroscopy

International Nuclear Information System (INIS)

Toelg, G.; Klockenkaemper, R.

1993-01-01

Total-reflection X-ray fluorescence (TXRF) is a universal and economic method for the simultaneous determination of elements with atomic numbers > 11 down to the lower pg-level. It is a microanalytical tool for the analysis of small sample amounts placed on flat carriers and for contaminations on flat sample surfaces. Analyses of stratified near-surface layers are made possible by varying the incident angle of the primary beam in the region of total-reflection. This non-destructive method is especially suitable for thin layers of a few nanometres, deposited on wafer material although not usable as a microprobe method with a high lateral resolution. Furthermore, depth profiles of biological samples can be recorded by means of microtome sectioning of only a few micrometres, as, for example in the gradient analysis of human organs. In addition to micro- and surface-layer analysis, TXRF is effectively applied to element trace analysis. Homogeneous solutions, for example aqueous solutions, high-purity acids or body fluids, are pipetted onto carriers and, after evaporation, the dry residues are analyzed directly down to the pg/ml region. Particularly advantageous is the absence of matrix effects, so that an easy calibration can be carried out by adding a single internal standard element. A digestion or separation step preceding the actual determination becomes necessary if a more complex matrix is to be analysed or especially low detection limits have to be reached. A critical evaluation of the recent developments in atomic spectroscopy places TXRF in a leading position. Its outstanding features compete with those of e.g. electrothermal atomic absorption spectrometry (ETAAS), microwave induced plasma optical emission spectroscopy (MIP-OES) and inductively coupled plasma mass spectrometry (ICP-MS) in the field of micro- and trace analysis and with Rutherford backscattering (RBS) and secondary ion mass spectrometry (SIMS) in the surface-layer analysis. (author)

Attenuated total reflection UV spectroscopy for simultaneous analysis of alkali, sulphide and dissolved lignin in pulping liquors

International Nuclear Information System (INIS)

Chai, X.S.; Zhu, J.Y.; Luo, Q.; Li, J.

2003-01-01

This study experimentally demonstrated attenuated total reflection (ATR) ultraviolet (UV) spectroscopy for rapid and simultaneous determination of the concentrations of hydroxide, sulphide and dissolved lignin in kraft pulping liquors. A multivariate partial least squares fitting procedure (using commercially available software) was employed to obtain the species concentrations from the measured absorption spectra of the pulping liquors. Good agreements between ATR-UV measured species concentrations and those obtained by reference methods (titration for hydroxide and sulphide and conventional UV absorption for dissolved lignin) were achieved. (author)

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

Science.gov (United States)

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...

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

Science.gov (United States)

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...

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

Directory of Open Access Journals (Sweden)

Jongguk Lim

2017-09-01

Full Text Available 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.

Reflections on hard X-ray photon-in/photon-out spectroscopy for electronic structure studies

Energy Technology Data Exchange (ETDEWEB)

Glatzel, Pieter, E-mail: glatzel@esrf.fr [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Weng, Tsu-Chien; Kvashnina, Kristina; Swarbrick, Janine; Sikora, Marcin [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Gallo, Erik [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, I-10125 Torino (Italy); Smolentsev, Nikolay [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Research Center for Nanoscale Structure of Matter, Southern Federal University, str. Zorge 5, 344090 Rostov-on-Don (Russian Federation); Mori, Roberto Alonso [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France)

2013-06-15

Highlights: ► Overview of some recent developments in hard X-ray RXES/RIXS. ► Evaluation of spectral line broadening in RXES/RIXS. ► Modelling of RXES/RIXS by ground state DFT calculations. ► Discussion on when HERFD provides a good approximation to XAS. -- Abstract: An increasing community of researchers in various fields of natural sciences is combining X-ray absorption with X-ray emission spectroscopy (XAS–XES) to study electronic structure. With the applications becoming more diverse, the objectives and the requirements in photon-in/photon-out spectroscopy are becoming broader. It is desirable to find simple experimental protocols, robust data reduction and theoretical tools that help the experimentalist to understand their data and learn about the electronic structure. This article presents a collection of considerations on non-resonant and resonant XES with the aim to guide the experimentalist to make good use of this technique.

Electronic processes in TTF-derived complexes studied by IR spectroscopy

Science.gov (United States)

Graja, Andrzej

2001-09-01

We focus our attention on the plasma-edge-like dispersion of the reflectance spectra of the selected bis(ethylenodithio)tetrathiafulvalene (BEDT-TTF)-derived organic conductors. The standard procedure to determine the electron transport parameters in low-dimensional organic conductors consists of fitting the appropriate theoretical models with the experimental reflectance data. This procedure provides us with basic information like plasma frequency, the optical effective mass of charge carriers, their number, mean free path and damping constant. Therefore, it is concluded that the spectroscopy is a powerful tool to study the electronic processes in conducting organic solids.

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

Science.gov (United States)

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

2016-02-01

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

Right prefrontal activity reflects the ability to overcome sleepiness during working memory tasks: a functional near-infrared spectroscopy study.

Directory of Open Access Journals (Sweden)

Motoyasu Honma

Full Text Available It has been speculated that humans have an inherent ability to overcome sleepiness that counteracts homeostatic sleep pressure. However, it remains unclear which cortical substrate activities are involved in the ability to overcome sleepiness during the execution of cognitive tasks. Here we sought to confirm that this ability to overcome sleepiness in task execution improves performance on cognitive tasks, showing activation of neural substrates in the frontal cortex, by using a modified n-back (2- and 0-back working memory task and functional near-infrared spectroscopy. The change in alertness was just correlated with performances on the 2-back task. Activity in the right prefrontal cortex changed depending on alertness changes on the 2- and 0-back tasks independently, which indicates that activity in this region clearly reflects the ability to overcome sleepiness; it may contribute to the function of providing sufficient activity to meet the task load demands. This study reveals characteristics of the ability to overcome sleepiness during the n-back working memory task which goes beyond the attention-control function traditionally proposed.

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

Science.gov (United States)

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 protein), the models lacked robustness and it was not possible to develop a model suitable for all the data. Determination of fat concentration proved even more problematic and the determination errors remained unacceptably large regardless of the sub-dataset analyzed or of the spectral intervals used. These poor results can be explained by the limited penetration depth of the mid-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.

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

Science.gov (United States)

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

2013-06-01

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

Quantification of SOC and Clay Content Using Visible Near-Infrared Reflectance–Mid-Infrared Reflectance Spectroscopy With Jack-Knifing Partial Least Squares Regression

DEFF Research Database (Denmark)

Peng, Yi; Knadel, Maria; Gislum, René

2014-01-01

A total of 125 soil samples were collected from a Danish field varying in soil texture from sandy to loamy. Visible near-infrared reflectance (Vis-NIR) and mid-infrared reflectance (MIR) spectroscopy combined with chemometric methods were used to predict soil organic carbon (SOC) and clay content...

Non-destructive evaluation of degradation in EB-PVD thermal barrier coatings by infrared reflectance spectroscopy

International Nuclear Information System (INIS)

Flattum, Richard Y.; Cooney, Adam T.

2013-01-01

At room temperature and atmospheric conditions infrared reflectance spectroscopy and X-ray diffraction were employed for the detection of the phase transformation and residual stress within thermal barrier coatings (TBC). The TBC's samples initially consisted of the porous ceramic topcoat deposited by electron beam plasma vapor deposition, a bond coat and a superalloy substrate. Reflectance spectroscopy scans were performed from 7497 cm −1 to 68 cm −1 to analysis the fingerprint region as well as the chemical bonding region. These regions should indicate if a detectable change within the TBC response is a result of thermal degradation of the microstructure and the changes in yttrium dispersion throughout the yttrium stabilized zirconium. The thermal degradation was induced by thermal cycling the samples to 1100° C and then cooling them in an atmospheric environment. X-ray diffraction was also used to detect the phase composition within the TBC samples and see if either would clearly identify failure prior to actual spallation. The eventual measurability and quantify-ability of the phase changes within the TBC's may be used as an effective non-destructive evaluation (NDE) technique that would allow personnel in the field to know when servicing of the turbine blade was necessary.

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

Science.gov (United States)

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.

In vivo characterization of colorectal metastases in human liver using diffuse reflectance spectroscopy: toward guidance in oncological procedures

Science.gov (United States)

Spliethoff, Jarich W.; de Boer, Lisanne L.; Meier, Mark A. J.; Prevoo, Warner; de Jong, Jeroen; Kuhlmann, Koert; Bydlon, Torre M.; Sterenborg, Henricus J. C. M.; Hendriks, Benno H. W.; Ruers, Theo J. M.

2016-09-01

There is a strong need to develop clinical instruments that can perform rapid tissue assessment at the tip of smart clinical instruments for a variety of oncological applications. This study presents the first in vivo real-time tissue characterization during 24 liver biopsy procedures using diffuse reflectance (DR) spectroscopy at the tip of a core biopsy needle with integrated optical fibers. DR measurements were performed along each needle path, followed by biopsy of the target lesion using the same needle. Interventional imaging was coregistered with the DR spectra. Pathology results were compared with the DR spectroscopy data at the final measurement position. Bile was the primary discriminator between normal liver tissue and tumor tissue. Relative differences in bile content matched with the tissue diagnosis based on histopathological analysis in all 24 clinical cases. Continuous DR measurements during needle insertion in three patients showed that the method can also be applied for biopsy guidance or tumor recognition during surgery. This study provides an important validation step for DR spectroscopy-based tissue characterization in the liver. Given the feasibility of the outlined approach, it is also conceivable to make integrated fiber-optic tools for other clinical procedures that rely on accurate instrument positioning.

Assessing Salinity in Cotton and Tomato Plants by Using Reflectance Spectroscopy

Science.gov (United States)

Goldshleger, Naftaly

2016-04-01

Irrigated lands in semi-arid and arid areas are subjected to salinization processes. An example of this phenomenon is the Jezreel Valley in northern Israel where soil salinity has increased over the years. The increase in soil salinity results in the deterioration of the soil structure and crops damage. In this experiment we quantified the relation between the chemical and spectral features of cotton and tomato plants and their mutual relationship to soil salinity. The experiment was carried out as part of ongoing research aiming to detect and monitor saline soils and vegetation by combining different remote sensing methods. The aim of this study was to use vegetation reflectance measurements to predict foliar Cl and Na concentration and assess salinity in the soil and in vegetation by their reflectance measurements. The model developed for determining concentrations of chlorine and sodium in tomato and cotton produced good results ( R2 = 0.92 for sodium and 0.85 for chlorine in tomato and R2 = 0.84 for sodium and 0.82 for chlorine in cotton). Lately, we extend the method to calculate vegetation salinity, by doing correlation between the reflectance slopes of the tested crops CL and Na from two research areas. The developed model produced a good results for all the data (R2=0.74) Our method can be implemented to assess vegetation salinity ahead of planting, and developed as a generic tool for broader use for agriculture in semi-arid regions. In our opinion these results show the possibility of monitoring for a threshold level of salinity in tomato and cotton leaves so remedial action can be taken in time to prevent crop damage. Our results strongly suggest that future imaging spectroscopy remote sensing measurements collected by airborne and satellite platforms could measure the salinity of soil and vegetation over larger areas. These results can be the first steps for generic a model which includes more vegetation for salinity measurements.

Electronic and optical properties of Fe, Pd, and Ti studied by reflection electron energy loss spectroscopy

International Nuclear Information System (INIS)

Tahir, Dahlang; Kraaer, Jens; Tougaard, Sven

2014-01-01

We have studied the electronic and optical properties of Fe, Pd, and Ti by reflection electron energy-loss spectroscopy (REELS). REELS spectra recorded for primary energies in the range from 300 eV to 10 keV were corrected for multiple inelastically scattered electrons to determine the effective inelastic-scattering cross section. The dielectric functions and optical properties were determined by comparing the experimental inelastic-electron scattering cross section with a simulated cross section calculated within the semi-classical dielectric response model in which the only input is Im(−1/ε) by using the QUEELS-ε(k,ω)-REELS software package. The complex dielectric functions ε(k,ω), in the 0–100 eV energy range, for Fe, Pd, and Ti were determined from the derived Im(−1/ε) by Kramers-Kronig transformation and then the refractive index n and extinction coefficient k. The validity of the applied model was previously tested and found to give consistent results when applied to REELS spectra at energies between 300 and 1000 eV taken at widely different experimental geometries. In the present paper, we provide, for the first time, a further test on its validity and find that the model also gives consistent results when applied to REELS spectra in the full range of primary electron energies from 300 eV to 10000 eV. This gives confidence in the validity of the applied method.

Measurement of the enzymes lactate dehydrogenase and creatine kinase using reflectance spectroscopy and reagent strips.

OpenAIRE

Stevens, J F; Tsang, W; Newall, R G

1983-01-01

Two new methods for the assay of total activities of lactate dehydrogenase and creatine kinase are described, in which the enzyme activities are measured from a solid-state reagent strip during a kinetic reaction, the reaction being monitored in the ultra-violet region of the spectrum by reflectance spectroscopy. The performances of these methods are evaluated, and compared to conventional "wet" chemistry methods. The solid-phase reagent methods demonstrated precision and accuracy acceptable ...

Catheter based mid-infrared reflectance and reflectance generated absorption spectroscopy

Science.gov (United States)

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.

Near infrared reflectance spectroscopy for the fast identification of PVC-based films.

Science.gov (United States)

Laasonen, M; Rantanen, J; Harmia-Pulkkinen, T; Michiels, E; Hiltunen, R; Räsänen, M; Vuorela, H

2001-07-01

Near infrared (NIR) reflectance spectroscopy was used to develop a non-destructive and rapid qualitative method for the analysis of plastic films used by the pharmaceutical industry for blistering. Three types of films were investigated: 250 microm PVC [poly(vinyl chloride)] films, 250 microm PVC films coated with 40 g m(-2) of PVDC [poly(vinylidene dichloride)] and 250 microm PVC films coated with 5 g m(-2) of TE (Thermoelast) and 90 g m(-2) of PVDC. Three analyses were carried out using different pre-treatment options and a PLS (partial least squares) algorithm. Each analysis was aimed at identifying one type of film and rejecting all types of false sample (different thickness, colour or layer). True and false samples from four plastics manufacturers were included in the calibration sets in order to obtain robust methods that were suitable regardless of the supplier. Specificity was demonstrated by testing validation sets against the methods. The tests showed 0% of type I (false negative identification) and 1% of type II errors (false positive identification) for the PVC method, 13 and 3%, respectively, for the PVC-PVDC method and no error for the PVC-TE-PVDC method. Type II errors, mostly due to the slight sensitivity of the methods to film thickness, are easily corrected by simple thickness measurements. This study demonstrates that NIR spectroscopy is an excellent tool for the identification of PVC-based films. The three methods can be used by the pharmaceutical industry or plastics manufacturers for the quality control of films used in blister packaging.

Improvement of direct determination of trace nickel in environmental samples by diffuse reflection spectroscopy using chromaticity characteristics.

Science.gov (United States)

Ershova, N I; Ivanov, V M

2000-05-01

Cellulose and chromaton-N-super as solid supports for direct determination of the immobilized nickel complexes with dimethylglyoxime and benzyldioxime by diffuse reflection spectroscopy were compared. The advantage of chromaton-N-super with use of benzyldioxime is shown. Detection limit is 0.02 microg/mL. The proposed method was applied for the analysis of soil.

About the use of reflectance terminology in imaging spectroscopy

NARCIS (Netherlands)

Schaepman-Strub, G.; Schaepman, M.E.; Dangel, S.; Painter, T.; Martonchik, J.

2005-01-01

Analysing databases, field and airborne spectrometer data, modelling studies and publications, a lack of consistency in the use of definitions and terminology of reflectance quantities can be observed. One example is the term `BRDF¿ (bidirectional reflectance distribution function) assigned to

Trasmission and Reflection (ATR)Far-Infrared Spectroscopy Applied in the Analysis of Cultural Heritage Materials

OpenAIRE

Kendix, Elsebeth Langholz

2009-01-01

FIR spectroscopy is an alternative way of collecting spectra of many inorganic pigments and corrosion products found on art objects, which is not normally observed in the MIR region. Most FIR spectra are traditionally collected in transmission mode but as a real novelty it is now also possible to record FIR spectra in ATR (Attenuated Total Reflectance) mode. In FIR transmission we employ polyethylene (PE) for preparation of pellets by embedding the sample in PE. Unfortunately, ...

THz spectroscopy of liquids – applications and future challenges

DEFF Research Database (Denmark)

Jepsen, Peter Uhd; Cooke, David; Møller, Uffe

2009-01-01

transmission spectroscopy of pressed pellets for the investigation of powder materials and wafer-like samples for spectroscopy of bulk and nanostructured semiconductor materials. Reflection-type spectroscopy is applied using plane interfaces for the study of liquids [1,2,3]. However, quantitative spectroscopy...

Pink berry grape (Vitis vinifera L.) characterization: Reflectance spectroscopy, HPLC and molecular markers.

Science.gov (United States)

Rustioni, Laura; De Lorenzis, Gabriella; Hârţa, Monica; Failla, Osvaldo

2016-01-01

Color has a fundamental role for the qualitative evaluation and cultivar characterization of fruits. In grape, a normally functional pigment biosynthesis leads to the accumulation of a high quantity of anthocyanins. In this work, 28 Vitis vinifera L. cultivars accumulating low anthocyanins in berries were studied to characterize the biosynthetic dysfunctions in both a phenotypic and genotypic point of view. Reflectance spectroscopy, HPLC profiles and molecular markers related to VvMybA1 and VvMybA2 genes allowed a detailed description of the pigment-related characteristics of these cultivars. Data were consistent concerning the heterozygosity of the non-functional allele in both investigated genes, resulting in a low colored phenotype as described by reflectance. However, the variability in berry colour among our samples was not fully explained by MybA locus, probably due to specific interferences among the biosynthetic pathways, as suggested by the anthocyanin profile variations detected among our samples. The results presented in this work confirmed the importance of the genetic background: grapes accumulating high levels of cyanidin-3-O-glucosides (di-substituted anthocyanin) are generally originated by white cultivar retro-mutations and they seem to preserve the anomalies in the flavonoid hydroxylases enzymes which negatively affect the synthesis of tri-substituted anthocyanins. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Intramyocardial oxygen transport by quantitative diffuse reflectance spectroscopy in calves

Science.gov (United States)

Lindbergh, Tobias; Larsson, Marcus; Szabó, Zoltán; Casimir-Ahn, Henrik; Strömberg, Tomas

2010-03-01

Intramyocardial oxygen transport was assessed during open-chest surgery in calves by diffuse reflectance spectroscopy using a small intramuscular fiber-optic probe. The sum of hemo- and myoglobin tissue fraction and oxygen saturation, the tissue fraction and oxidation of cytochrome aa3, and the tissue fraction of methemoglobin were estimated using a calibrated empirical light transport model. Increasing the oxygen content in the inhaled gas, 21%-50%-100%, in five calves (group A) gave an increasing oxygen saturation of 19+/-4%, 24+/-5%, and 28+/-8% (panimals increased with LVAD pump speed (p<0.001, ANOVA) and with oxygen content in inhaled gas (p<0.001, ANOVA). The cytochrome aa3 oxidation level was above 96% in both group A and group B calves, including the two cases involving cardiac arrest. In conclusion, the estimated tissue fractions and oxygenation/oxidation levels of the myocardial chromophores during respiratory and hemodynamic provocations were in agreement with previously presented results, demonstrating the potential of the method.

Diffuse reflectance spectroscopy for the measurement of tissue oxygen saturation

International Nuclear Information System (INIS)

Sircan-Kucuksayan, A; Canpolat, M; Uyuklu, M

2015-01-01

Tissue oxygen saturation (StO 2 ) is a useful parameter for medical applications. A spectroscopic method has been developed to detect pathologic tissues, due to a lack of normal blood circulation, by measuring StO 2 . In this study, human blood samples with different levels of oxygen saturation have been prepared and spectra were acquired using an optical fiber probe to investigate the correlation between the oxygen saturation levels and the spectra. A linear correlation between the oxygen saturation and ratio of the intensities (760 nm to 790 nm) of the spectra acquired from blood samples has been found. In a validation study, oxygen saturations of the blood samples were estimated from the spectroscopic measurements with an error of 2.9%. It has also been shown that the linear dependence between the ratio and the oxygen saturation of the blood samples was valid for the blood samples with different hematocrits. Spectra were acquired from the forearms of 30 healthy volunteers to estimate StO 2 prior to, at the beginning of, after 2 min, and at the release of total vascular occlusion. The average StO 2 of a forearm before and after the two minutes occlusion was significantly different. The results suggested that optical reflectance spectroscopy is a sensitive method to estimate the StO 2 levels of human tissue. The technique developed to measure StO 2 has potential to detect ischemia in real time. (paper)

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-05-15

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

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

Science.gov (United States)

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...

Diffuse Reflectance Spectroscopy for Surface Measurement of Liver Pathology.

Science.gov (United States)

Nilsson, Jan H; Reistad, Nina; Brange, Hannes; Öberg, Carl-Fredrik; Sturesson, Christian

2017-01-01

Liver parenchymal injuries such as steatosis, steatohepatitis, fibrosis, and sinusoidal obstruction syndrome can lead to increased morbidity and liver failure after liver resection. Diffuse reflectance spectroscopy (DRS) is an optical measuring method that is fast, convenient, and established. DRS has previously been used on the liver with an invasive technique consisting of a needle that is inserted into the parenchyma. We developed a DRS system with a hand-held probe that is applied to the liver surface. In this study, we investigated the impact of the liver capsule on DRS measurements and whether liver surface measurements are representative of the whole liver. We also wanted to confirm that we could discriminate between tumor and liver parenchyma by DRS. The instrumentation setup consisted of a light source, a fiber-optic contact probe, and two spectrometers connected to a computer. Patients scheduled for liver resection due to hepatic malignancy were included, and DRS measurements were performed on the excised liver part with and without the liver capsule and alongside a newly cut surface. To estimate the scattering parameters and tissue chromophore volume fractions, including blood, bile, and fat, the measured diffuse reflectance spectra were applied to an analytical model. In total, 960 DRS spectra from the excised liver tissue of 18 patients were analyzed. All factors analyzed regarding tumor versus liver tissue were significantly different. When measuring through the capsule, the blood volume fraction was found to be 8.4 ± 3.5%, the lipid volume fraction was 9.9 ± 4.7%, and the bile volume fraction was 8.2 ± 4.6%. No differences could be found between surface measurements and cross-sectional measurements. In measurements with/without the liver capsule, the differences in volume fraction were 1.63% (0.75-2.77), -0.54% (-2.97 to 0.32), and -0.15% (-1.06 to 1.24) for blood, lipid, and bile, respectively. This study shows that it is possible to manage DRS

Quantifying electronic band interactions in van der Waals materials using angle-resolved reflected-electron spectroscopy.

Science.gov (United States)

Jobst, Johannes; van der Torren, Alexander J H; Krasovskii, Eugene E; Balgley, Jesse; Dean, Cory R; Tromp, Rudolf M; van der Molen, Sense Jan

2016-11-29

High electron mobility is one of graphene's key properties, exploited for applications and fundamental research alike. Highest mobility values are found in heterostructures of graphene and hexagonal boron nitride, which consequently are widely used. However, surprisingly little is known about the interaction between the electronic states of these layered systems. Rather pragmatically, it is assumed that these do not couple significantly. Here we study the unoccupied band structure of graphite, boron nitride and their heterostructures using angle-resolved reflected-electron spectroscopy. We demonstrate that graphene and boron nitride bands do not interact over a wide energy range, despite their very similar dispersions. The method we use can be generally applied to study interactions in van der Waals systems, that is, artificial stacks of layered materials. With this we can quantitatively understand the 'chemistry of layers' by which novel materials are created via electronic coupling between the layers they are composed of.

Measurement of the enzymes lactate dehydrogenase and creatine kinase using reflectance spectroscopy and reagent strips.

Science.gov (United States)

Stevens, J F; Tsang, W; Newall, R G

1983-01-01

Two new methods for the assay of total activities of lactate dehydrogenase and creatine kinase are described, in which the enzyme activities are measured from a solid-state reagent strip during a kinetic reaction, the reaction being monitored in the ultra-violet region of the spectrum by reflectance spectroscopy. The performances of these methods are evaluated, and compared to conventional "wet" chemistry methods. The solid-phase reagent methods demonstrated precision and accuracy acceptable for diagnostic purposes, and were easy to use by trained operators. PMID:6655069

Reflection electron energy loss spectroscopy as efficient technique for the determination of optical properties of polystyrene intermixed with gold nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Deris, Jamileh [Department of Physics, Yasouj University, Yasouj 75918-74831 (Iran, Islamic Republic of); Hajati, Shaaker, E-mail: Hajati@mail.yu.ac.ir [Department of Physics, Yasouj University, Yasouj 75918-74831 (Iran, Islamic Republic of); Department of Semiconductors, Materials and Energy Research Center, Karaj 3177983634 (Iran, Islamic Republic of)

2017-01-15

Highlights: • Reflection Electron Energy Loss Spectroscopy of nano-metalized polymer. • Determination of real part of the dielectric function of nanostructured sample. • Determination of imaginary part of the dielectric function of nanostructured sample. • Determination of refractive index and coefficient of extinction of the sample. • Determination of reflection and absorption coefficients of nano-metalized Polymer. - Abstract: The electronic properties (electron inelastic cross section, energy loss function) of a nano-metalized polystyrene obtained by reflection electron energy loss spectroscopy (REELS) in a previous study [J. Deris, S. Hajati, S. Tougaard, V. Zaporojtchenko, Appl. Surf. Sci. 377 (2016) 44–47], which relies on the Yubero-Tougaard method, were used in the complementary application of Kramers-Kronig transformation to determine its optical properties such as the real part (ε{sub 1}) and imaginary part (ε{sub 2}) of the dielectric function (ε), refractive index (n), coefficients of extinction (k), reflection (R) and absorption (μ). The degree of intermixing of polystyrene thin film and gold nanoparticles of sizes 5.5 nm was controlled by annealing the sample to achieve a morphology in which the nanoparticles were homogeneously distributed within polystyrene. It is worth noting that no data are available on the optical properties of metalized polymers such as gold nanoparticles intermixed with polystyrene. Therefore, this work is of high importance in terms of both the sample studied here and the method applied. The advantage of the method applied here is that no information on the lateral distribution of the nanocomposite sample is required. This means that the REELS technique has been presented here to suitably, efficiently and easily obtain the optical properties of such nano-metalized polymer in which the metal nanoparticles have been vertically well distributed (homogeneous in depth). Therefore, for vertically homogeneous and

Quantitative skin color measurements in acanthosis nigricans patients: colorimetry and diffuse reflectance spectroscopy.

Science.gov (United States)

Pattamadilok, Bensachee; Devpura, Suneetha; Syed, Zain U; Agbai, Oma N; Vemulapalli, Pranita; Henderson, Marsha; Rehse, Steven J; Mahmoud, Bassel H; Lim, Henry W; Naik, Ratna; Hamzavi, Iltefat H

2012-08-01

Tristimulus colorimetry and diffuse reflectance spectroscopy (DRS) are white-light skin reflectance techniques used to measure the intensity of skin pigmentation. The tristimulus colorimeter is an instrument that measures a perceived color and the DRS instrument measures biological chromophores of the skin, including oxy- and deoxyhemoglobin, melanin and scattering. Data gathered from these tools can be used to understand morphological changes induced in skin chromophores due to conditions of the skin or their treatments. The purpose of this study was to evaluate the use of these two instruments in color measurements of acanthosis nigricans (AN) lesions. Eight patients with hyperinsulinemia and clinically diagnosable AN were seen monthly. Skin pigmentation was measured at three sites: the inner forearm, the medial aspect of the posterior neck, and anterior neck unaffected by AN. Of the three, measured tristimulus L*a*b* color parameters, the luminosity parameter L* was found to most reliably distinguish lesion from normally pigmented skin. The DRS instrument was able to characterize a lesion on the basis of the calculated melanin concentration, though melanin is a weak indicator of skin change and not a reliable measure to be used independently. Calculated oxyhemoglobin and deoxyhemoglobin concentrations were not found to be reliable indicators of AN. Tristimulus colorimetry may provide reliable methods for respectively quantifying and characterizing the objective color change in AN, while DRS may be useful in characterizing changes in skin melanin content associated with this skin condition. © 2012 John Wiley & Sons A/S.

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

Science.gov (United States)

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.

Effective rumen degradation of dry matter, crude protein and neutral detergent fibre in forage determined by near infrared reflectance spectroscopy

DEFF Research Database (Denmark)

Ohlsson, C; Houmøller, L P; Weisbjerg, Martin Riis

2007-01-01

The objective of the present study was to examine if near infrared reflectance spectroscopy (NIRS) could be used to predict degradation parameters and effective degradation from scans of original forage samples. Degradability of dry matter (DM), crude protein (CP) and neutral detergent fibre (NDF......) of 61 samples of perennial ryegrass (Lolium perenne L.) and orchardgrass (Dactylis glomerata L.) was tested by using the in situ technique. The grass samples were harvested at three different stages, early vegetative growth, early reproductive growth and late reproductive growth. Degradability...

Using reflectance anisotropy spectroscopy to characterize capped silver nanostructures grown on silicon

Energy Technology Data Exchange (ETDEWEB)

Fleischer, K.; Jacob, J.; McGilp, J.F. [School of Physics, Trinity College Dublin, Dublin 2 (Ireland); Chandola, S. [School of Physics, Trinity College Dublin, Dublin 2 (Ireland); ISAS - Institute for Analytical Sciences, Department Berlin, Albert-Einstein-Strasse 9, 12489 Berlin (Germany); Esser, N. [ISAS - Institute for Analytical Sciences, Department Berlin, Albert-Einstein-Strasse 9, 12489 Berlin (Germany)

2008-07-01

Using the single domain Si(111)-3 x 1-Ag surface as a template, room temperature deposition of two or more monolayers of Ag leads to the formation of metallic nanostructures. Reflectance anisotropy spectroscopy (RAS) in the infrared (IR) spectral region is used to analyse the anisotropic conductivity of the structures. The anisotropy is found to be influenced by the offcut angle of the substrate, and hence the terrace width. The Ag nanostructures were capped with Si to form a near-IR transparent protecting layer. The samples are stable to exposure to ambient conditions for significant periods. The RAS spectra are compared to model calculations, which support the conclusion that the buried metallic Ag nanostructures survive the capping process. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

DETERMINING PARAMETERS OF THE DIELECTRIC FUNCTION OF A SUBSTANCE IN AQUEOUS SOLUTION BY SELF-REFERENCED REFLECTION THZ SPECTROSCOPY

DEFF Research Database (Denmark)

2008-01-01

Method and apparatus for determining dielectric function of liquid solutions and thereby concentrations of substances in aqueous solution or the volatile/non-volatile nature of the liquid by self-referenced reflection THz spectroscopy. Having the aqueous solution in any container with a window al....... The invention is particularly useful for determining alcohol (ethanol) content in aqueous solution containing other substances and particles....

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

Science.gov (United States)

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 beans with no or easy sample preparation.

CO 2 Capture Capacity and Swelling Measurements of Liquid-like Nanoparticle Organic Hybrid Materials via Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

KAUST Repository

Park, Youngjune; Shin, Dolly; Jang, Young Nam; Park, Ah-Hyung Alissa

2012-01-01

attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy. Simultaneous measurements of CO 2 capture capacity and swelling behaviors of polyetheramine (Jeffamine M-2070) and its corresponding NOHMs (NOHM-I-PE2070) were reported

Moessbauer spectroscopy

International Nuclear Information System (INIS)

Gonser, U.

1975-01-01

This book is addressed to persons interested in learning about what has been done and what can be done with Moessbauer spectroscopy. In an introductory chapter the basic principle is explained and the general parameters governing Moessbauer spectroscopy are tabulated. For the following chapters various disciplines are chosen and the wide applicability of this measuring technique is demonstrated. The second chapter discusses a few representative examples of chemical interesting information being reflected by isomer shifts and quadrupole splittings, particularly with respect to bonding and structural properties. The third chapter deals with some applications of Moessbauer spectroscopy for characterizing magnetic compounds and its use for magnetic structure investigations, particularly by making use of polarized radiation. The fourth chapter describes the use of the Moessbauer spectroscopy for studying iron in biological molecules. As an example of recent applications to mineralogy and geology the results of the studies of lunar samples are reviewed in the fifth chapter. Finally, in the last chapter, work is described on the use of Moessbauer spectroscopy in physical metallurgy, particularly quantitative analyses which have enabled metallurgists to solve many old problems. (orig./FW) [de

Characterizing the hydration state of L-threonine in solution using terahertz time-domain attenuated total reflection spectroscopy

Science.gov (United States)

Huang, Huachuan; Liu, Qiao; Zhu, Liguo; Li, Zeren

2018-01-01

The hydration of biomolecules is closely related to the dynamic process of their functional expression, therefore, characterizing hydration phenomena is a subject of keen interest. However, direct measurements on the global hydration state of biomolecules couldn't have been acquired using traditional techniques such as thermodynamics, ultrasound, microwave spectroscopy or viscosity, etc. In order to realize global hydration characterization of amino acid such as L-threonine, terahertz time-domain attenuated total reflectance spectroscopy (THz-TDS-ATR) was adopted in this paper. By measuring the complex permittivity of L-threonine solutions with various concentrations in the THz region, the hydration state and its concentration dependence were obtained, indicating that the number of hydrous water decreased with the increase of concentration. The hydration number was evaluated to be 17.8 when the molar concentration of L-threonine was 0.34 mol/L, and dropped to 13.2 when the molar concentration increased to 0.84 mol/L, when global hydration was taken into account. According to the proposed direct measurements, it is believed that the THz-TDS-ATR technique is a powerful tool for studying the picosecond molecular dynamics of amino acid solutions.

Analysis of hemodynamics in human skin using photothermal radiometry and diffuse reflectance spectroscopy

Science.gov (United States)

Verdel, Nina; Marin, Ana; Vidovič, Luka; Milanič, Matija; Majaron, Boris

2017-07-01

We present a novel methodology for quantitative analysis of hemodynamics in human skin in vivo. Our approach combines pulsed photothermal radiometry (i.e., time-resolved measurements of midinfrared emission from sample surface after exposure to a short light pulse) and diffuse reflectance spectroscopy in visible part of the spectrum. Experimental data are fitted with predictions of a numerical model of light transport in a four-layer skin model (i.e., inverse Monte Carlo), which allows assessment of the layer thicknesses, chromophore contents (e.g., melanin, oxy- and deoxy-hemoglobin), as well as scattering properties. The performance is tested in comparison analysis of healthy skin before and during application of a blood pressure cuff (at 200 mm Hg) for 5 minutes.

Far-infrared reflection-absorption spectroscopy of amorphous and polycrystalline gallium arsenide films

International Nuclear Information System (INIS)

Gregory, J.R.

1992-01-01

We have reported far-infrared reflection absorption spectra (30-320CM -1 ) at 30 and 310K for nine films of non-stoichiometric GaAs. The FIRRAS measurements were performed using the grazing incidence FIR double-modulation spectroscopy technique first described by DaCosta and Coleman. The films were fabricated by molecular beam deposition on metallized substrates for two As/Ga molecular beam flux ratios. The films were characterized by depth profilometry, IRAS, XRD, and x-ray microprobe analysis. Film thicknesses ranged from 800 to 5800 angstrom and compositions were 45-50% As for a MB flux ratio of 0.29 and 60-70% As for a ratio of 1.12. FIRRAS measurements were made and characterizations performed for as-deposited films and for 5 hour anneals at 473, 573, 673 and 723 degrees C. Vibrational spectra of the crystallized films were interpreted in terms of the exact reflectivity of a thin dielectric film on a conducting substrate, using a classical Lorentzian dielectric function for the response of the film. Resonances appearing in the open-quote forbidden close-quote region between the TO and LO frequencies were modelled with an effective medium approximation and are interpreted as arising from small-scale surface roughness. The behavior of the amorphous film spectra were examined within two models. The effective force constant model describes the variation of the reflection-absorption maxima with measured crystallite size in terms of the effective vibration frequency of 1-D atomic chains having force constants distributed according to the parameters of the crystalline-to-amorphous relaxation length and the crystalline to amorphous force constant ratio. The dielectric function continuum model uses the relaxation of the crystal momentum selection rule to calculate the reflection-absorption spectrum based on a dielectric function in which the oscillator strength is the normalized product of a constant dipole strength and the smoothed vibrational density of states

Simultaneous estimation of transcutaneous bilirubin, hemoglobin, and melanin based on diffuse reflectance spectroscopy

Science.gov (United States)

Nishidate, Izumi; Abdul, Wares MD.; Ohtsu, Mizuki; Nakano, Kazuya; Haneishi, Hideaki

2018-02-01

We propose a method to estimate transcutaneous bilirubin, hemoglobin, and melanin based on the diffuse reflectance spectroscopy. In the proposed method, the Monte Carlo simulation-based multiple regression analysis for an absorbance spectrum in the visible wavelength region (460-590 nm) is used to specify the concentrations of bilirubin (Cbil), oxygenated hemoglobin (Coh), deoxygenated hemoglobin (Cdh), and melanin (Cm). Using the absorbance spectrum calculated from the measured diffuse reflectance spectrum as a response variable and the extinction coefficients of bilirubin, oxygenated hemoglobin, deoxygenated hemoglobin, and melanin, as predictor variables, multiple regression analysis provides regression coefficients. Concentrations of bilirubin, oxygenated hemoglobin, deoxygenated hemoglobin, and melanin, are then determined from the regression coefficients using conversion vectors that are numerically deduced in advance by the Monte Carlo simulations for light transport in skin. Total hemoglobin concentration (Cth) and tissue oxygen saturation (StO2) are simply calculated from the oxygenated hemoglobin and deoxygenated hemoglobin. In vivo animal experiments with bile duct ligation in rats demonstrated that the estimated Cbil is increased after ligation of bile duct and reaches to around 20 mg/dl at 72 h after the onset of the ligation, which corresponds to the reference value of Cbil measured by a commercially available transcutaneous bilirubin meter. We also performed in vivo experiments with rats while varying the fraction of inspired oxygen (FiO2). Coh and Cdh decreased and increased, respectively, as FiO2 decreased. Consequently, StO2 was dramatically decreased. The results in this study indicate potential of the method for simultaneous evaluation of multiple chromophores in skin tissue.

Investigating Low-Cost Optical Spectroscopy for Sensing Pressure Ulcers

Science.gov (United States)

Mirchandani, Smruti Suresh

Diffuse Reflectance Spectroscopy has been used widely to characterize tissue properties for diagnostic and therapeutic applications. This thesis focuses on the use of spectroscopy for early pressure ulcer detection. The most common early diagnosis technique for pressure ulcers is a blanch test. A major issue with a blanch test is that it is purely visual and cannot be visibly observed on dark skinned individuals. Studies have already proven that spectroscopy can be used to detect blanch response in skin across light and dark skinned individuals. The portable reflectance spectroscopy setup showed that pressure changes to the skin can be detected spectroscopically. Some work on an iPhone based spectrometer was also done to have a low-cost spectroscopy alternative to the usual DRS equipment. This study failed to develop an iPhone based spectrometer but various factors that can be changed to better this research have been mentioned in this thesis.

Adsorption of water and butanol in silicalite-1 film studied with in situ attenuated total reflectance-Fourier transform infrared spectroscopy.

Science.gov (United States)

Farzaneh, Amirfarrokh; Zhou, Ming; Potapova, Elisaveta; Bacsik, Zoltán; Ohlin, Lindsay; Holmgren, Allan; Hedlund, Jonas; Grahn, Mattias

2015-05-05

Biobutanol produced by, e.g., acetone-butanol-ethanol (ABE) fermentation is a promising alternative to petroleum-based chemicals as, e.g., solvent and fuel. Recovery of butanol from dilute fermentation broths by hydrophobic membranes and adsorbents has been identified as a promising route. In this work, the adsorption of water and butanol vapor in a silicalite-1 film was studied using in situ attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy to better understand the adsorption properties of silicalite-1 membranes and adsorbents. Single-component adsorption isotherms were determined in the temperature range of 35-120 °C, and the Langmuir model was successfully fitted to the experimental data. The adsorption of butanol is very favorable compared to that of water. When the silicalite-1 film was exposed to a butanol/water vapor mixture with 15 mol % butanol (which is the vapor composition of an aqueous solution containing 2 wt % butanol, a typical concentration in an ABE fermentation broth, i.e., the composition of the gas obtained from gas stripping of an ABE broth) at 35 °C, the adsorption selectivity toward butanol was as high as 107. These results confirm that silicalite-1 quite selectively adsorbs hydrocarbons from vapor mixtures. To the best of our knowledge, this is the first comprehensive study on the adsorption of water and butanol in silicalite-1 from vapor phase.

Gas sensing properties and in situ diffuse reflectance infrared Fourier transform spectroscopy study of trichloroethylene adsorption and reactions on SnO2 films

Science.gov (United States)

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.

Study of inhomogeneous solid adlayers at electrolyte-solid interfaces using differential reflectance spectroscopy. Progress report, July 1, 1977--February 28, 1978

International Nuclear Information System (INIS)

Sari, S.O.

1978-03-01

Differential reflectance spectroscopy has been used to study interactions at liquid-solid and air-solid interfaces. The aim is to examine a number of properties of adsorbed solid and molecular interlayers formed at such boundaries. Differential optical techniques have not previously been used to a large degree to investigate details of interfacial properties. However, in conjunction with x-ray and electron analysis these approaches are important for examining both electronic structure and adsorption-adhesion mechanics of surface coverings even if these are only a few atomic diameters in thickness. Such layers are induced in experiments by electronic circuitry devised to add or subtract controlled amounts of adlayer through reactions at electrolyte-solid interfaces. The purpose is to supply new information of a basic nature concerning interfacial properties. This can be important since crystal phases of some materials exist only in thin surface coverings. Thus, a connection of this work may well be important to new thin-layer technology. Moreover, an important relation seems well established to problems in solar energy. It is known, for example, that interfacial layers modify gas evolution at some electrolyte-oxide boundaries and thus their study is closely relevant to improvement of some new fuel production schemes

Infrared spectroscopy for studying structure and aging effects in rhamnolipid biosurfactants

OpenAIRE

Kiefer, Johannes; Radzuan, Mohd Nazren; Winterburn, James

2017-01-01

Biosurfactants are produced by microorganisms and represent amphiphilic compounds with polar and non-polar moieties; hence they can be used to stabilize emulsions, e.g. in the cosmetic and food sectors. Their structure and its changes when exposed to light and elevated temperature are yet to be fully understood. In this study, we demonstrate that attenuated total reflection infrared (ATR-IR) spectroscopy is a useful tool for the analysis of biosurfactants, using rhamnolipids produced by ferme...

Imaging spectroscopy for characterisation of grass swards

NARCIS (Netherlands)

Schut, A.G.T.

2003-01-01

Keywords: Imaging spectroscopy, imaging spectrometry, remote sensing, reflection, reflectance, grass sward, white clover, recognition, characterisation, ground cover, growth monitoring, stress detection, heterogeneity quantification

The potential of imaging spectroscopy as a tool for

Mid infrared upconversion spectroscopy using diffuse reflectance

DEFF Research Database (Denmark)

Sanders, Nicolai Højer; Kehlet, Louis M.; Dam, Jeppe Seidelin

2014-01-01

specifically that upconversion methods can be deployed using a diffuse reflectance setup where the test sample is irradiated by a thermal light source, i.e. a globar. The diffuse reflectance geometry is particularly well suited when a transmission setup cannot be used. This situation may happen for highly...

Probing skin interaction with hydrogen peroxide using diffuse reflectance spectroscopy

International Nuclear Information System (INIS)

Zonios, George; Dimou, Aikaterini; Galaris, Dimitrios

2008-01-01

Hydrogen peroxide is an important oxidizing agent in biological systems. In dermatology, it is frequently used as topical antiseptic, it has a haemostatic function, it can cause skin blanching, and it can facilitate skin tanning. In this work, we investigated skin interaction with hydrogen peroxide, non-invasively, using diffuse reflectance spectroscopy. We observed transient changes in the oxyhaemoglobin and deoxyhaemoglobin concentrations as a result of topical application of dilute H 2 O 2 solutions to the skin, with changes in deoxyhaemoglobin concentration being more pronounced. Furthermore, we did not observe any appreciable changes in melanin absorption properties as well as in the skin scattering properties. We also found no evidence for production of oxidized haemoglobin forms. Our observations are consistent with an at least partial decomposition of hydrogen peroxide within the stratum corneum and epidermis, with the resulting oxygen and/or remaining hydrogen peroxide inducing vasoconstriction to dermal blood vessels and increasing haemoglobin oxygen saturation. An assessment of the effects of topical application of hydrogen peroxide to the skin may serve as the basis for the development of non-invasive techniques to measure skin antioxidant capacity and also may shed light onto skin related disorders such as vitiligo

A simple, sensitive and non-destructive technique for characterizing bovine dental enamel erosion: attenuated total reflection Fourier transform infrared spectroscopy.

Science.gov (United States)

Kim, In-Hye; Son, Jun Sik; Min, Bong Ki; Kim, Young Kyoung; Kim, Kyo-Han; Kwon, Tae-Yub

2016-03-30

Although many techniques are available to assess enamel erosion in vitro, a simple, non-destructive method with sufficient sensitivity for quantifying dental erosion is required. This study characterized the bovine dental enamel erosion induced by various acidic beverages in vitro using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. Deionized water (control) and 10 acidic beverages were selected to study erosion, and the pH and neutralizable acidity were measured. Bovine anterior teeth (110) were polished with up to 1 200-grit silicon carbide paper to produce flat enamel surfaces, which were then immersed in 20 mL of the beverages for 30 min at 37 °C. The degree of erosion was evaluated using ATR-FTIR spectroscopy and Vickers' microhardness measurements. The spectra obtained were interpreted in two ways that focused on the ν1, ν3 phosphate contour: the ratio of the height amplitude of ν3 PO4 to that of ν1 PO4 (Method 1) and the shift of the ν3 PO4 peak to a higher wavenumber (Method 2). The percentage changes in microhardness after the erosion treatments were primarily affected by the pH of the immersion media. Regression analyses revealed highly significant correlations between the surface hardness change and the degree of erosion, as detected by ATR-FTIR spectroscopy (Perosion.

Direct characterization of the energy level alignments and molecular components in an organic hetero-junction by integrated photoemission spectroscopy and reflection electron energy loss spectroscopy analysis.

Science.gov (United States)

Yun, Dong-Jin; Shin, Weon-Ho; Bulliard, Xavier; Park, Jong Hwan; Kim, Seyun; Chung, Jae Gwan; Kim, Yongsu; Heo, Sung; Kim, Seong Heon

2016-08-26

A novel, direct method for the characterization of the energy level alignments at bulk-heterojunction (BHJ)/electrode interfaces on the basis of electronic spectroscopy measurements is proposed. The home-made in situ photoemission system is used to perform x-ray/ultraviolet photoemission spectroscopy (XPS/UPS), reflection electron energy loss spectroscopy (REELS) and inverse photoemission spectroscopy of organic-semiconductors (OSCs) deposited onto a Au substrate. Through this analysis system, we are able to obtain the electronic structures of a boron subphthalocyanine chloride:fullerene (SubPC:C60) BHJ and those of the separate OSC/electrode structures (SubPC/Au and C60/Au). Morphology and chemical composition analyses confirm that the original SubPC and C60 electronic structures remain unchanged in the electrodes prepared. Using this technique, we ascertain that the position and area of the nearest peak to the Fermi energy (EF = 0 eV) in the UPS (REELS) spectra of SubPC:C60 BHJ provide information on the highest occupied molecular orbital level (optical band gap) and combination ratio of the materials, respectively. Thus, extracting the adjusted spectrum from the corresponding SubPC:C60 BHJ UPS (REELS) spectrum reveals its electronic structure, equivalent to that of the C60 materials. This novel analytical approach allows complete energy-level determination for each combination ratio by separating its electronic structure information from the BHJ spectrum.

Diffuse Reflectance Spectroscopy for Total Carbon Analysis of Hawaiian Soils

Science.gov (United States)

McDowell, M. L.; Bruland, G. L.; Deenik, J. L.; Grunwald, S.; Uchida, R.

2010-12-01

Accurate assessment of total carbon (Ct) content is important for fertility and nutrient management of soils, as well as for carbon sequestration studies. The non-destructive analysis of soils by diffuse reflectance spectroscopy (DRS) is a potential supplement or alternative to the traditional time-consuming and costly combustion method of Ct analysis, especially in spatial or temporal studies where sample numbers are large. We investigate the use of the visible to near-infrared (VNIR) and mid-infrared (MIR) spectra of soils coupled with chemometric analysis to determine their Ct content. Our specific focus is on Hawaiian soils of agricultural importance. Though this technique has been introduced to the soil community, it has yet to be fully tested and used in practical applications for all soil types, and this is especially true for Hawaii. In short, DRS characterizes and differentiates materials based on the variation of the light reflected by a material at certain wavelengths. This spectrum is dependent on the material’s composition, structure, and physical state. Multivariate chemometric analysis unravels the information in a set of spectra that can help predict a property such as Ct. This study benefits from the remarkably diverse soils of Hawaii. Our sample set includes 216 soil samples from 145 pedons from the main Hawaiian Islands archived at the National Soil Survey Center in Lincoln, NE, along with more than 50 newly-collected samples from Kauai, Oahu, Molokai, and Maui. In total, over 90 series from 10 of the 12 soil orders are represented. The Ct values of these samples range from < 1% - 55%. We anticipate that the diverse nature of our sample set will ensure a model with applicability to a wide variety of soils, both in Hawaii and globally. We have measured the VNIR and MIR spectra of these samples and obtained their Ct values by dry combustion. Our initial analyses are conducted using only samples obtained from the Lincoln archive. In this

Temperature dependence of the phonon structure in the high-temperature superconductor Bi2Sr2CaCu2O8 studied by infrared reflectance spectroscopy

International Nuclear Information System (INIS)

Kamaras, K.; Herr, S.L.; Porter, C.D.; Tanner, D.B.; Etemad, S.; Tarascon, J.

1991-01-01

We have investigated a ceramic sample of the high-temperature superconductor Bi 2 Sr 2 CaCu 2 O 8 (T c =85 K) by infrared and visible reflectance spectroscopy at several temperatures both below and above the superconducting transition. We find that the temperature variation in the vibrational region is associated with minima or antiresonance features of the optical conductivity, instead of maxima, indicating strong Fano-type electron-phonon interaction and implying that the phonon structure in the infrared is strongly affected by the ab-plane response

Simple and rapid quantification of total carotenoids in lyophilized apricots (prunus armeniaca L.) by means of reflectance colorimetry and photoacoustic spectrometry spectroscopy

NARCIS (Netherlands)

Doka, O.; Ficzek, G.; Luterotti, S.; Bicanic, D.D.; Spruijt, R.B.; Buijnsters, J.; Vegvari, G.

2013-01-01

Photoacoustic spectroscopy (PAS) and reflectance colorimetry are suggested as new tools for the analysis of total carotenoids in lyophilized apricot powders. The data obtained by these two techniques from seven apricot cultivars were compared to those acquired by spectrophotometry and

Detection of Soluble and Fixed NH4+ in Clay Minerals by DTA and IR Reflectance Spectroscopy : A Potential Tool for Planetary Surface Exploration

Science.gov (United States)

Janice, Bishop; Banin, A.; Mancinelli, R. L.; Klovstad, M. R.; DeVincenzi, Donald L. (Technical Monitor)

2001-01-01

Nitrogen is an essential element for life. It is the only element among the six major biogenic elements, C, O, S, O, P, H, whose presence in the Martian soil has not been positively and directly established. We describe here a study assessing the ability to detect NH4 in soils by two methods: differential thermal analysis (DTA) and infrared (IR) reflectance spectroscopy. Four standard clay minerals (kaolinite, montmorillonite, illite and attapulgite) and an altered tephra sample from Mauna Kea were treated with NH4 in this study. Samples of the NH4-treated and leached clays were analyzed by DTA and infrared (IR) reflectance spectroscopy to quantify the delectability of soluble and sorbed/fixed NH4. An exotherm at 270-280 C was clearly detected in the DTA curves of NH4-treated (non-leached) samples. This feature is assigned to the thermal decomposition reaction of NH4. Spectral bands observed at 1.56, 2.05, 2.12, 3.06, 3.3, 3.5, 5.7 and 7.0 microns in the reflectance spectra of NH4-treated and leached samples are assigned to the sorbed/fixed ammonium in the clays. The montmorillonite has shown the most intense absorbance due to fixed ammonium among the leached samples in this study, as a result of its high cation sorption capacity. It is concluded that the presence of sorbed or fixed NH4 in clays may be detected by infrared (IR) reflectance or emission spectroscopy. Distinction between soluble and sorbed NH4 may be achieved through the presence or absence of several spectral features assigned to the sorbed NH4 moietyi and, specifically, by use of the 4.2 micrometer feature assigned to solution NH4. Thermal analyses furnish supporting evidence of ammonia in our study through detection of N released at temperatures of 270-330 C. Based on these results it is estimated that IR spectra measured from a rover should be able to detect ammonia if present above 20 mg NH4/g sample in the surface layers. Orbital IR spectra and thermal analyses measured on a rover may be able to

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

Science.gov (United States)

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

2004-09-01

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

Molecular studies by electron spectroscopy

International Nuclear Information System (INIS)

Hansteen, J.M.

1977-01-01

Experience gained in experimental nuclear physics has played a large role in the development of electron spectroscopy as a powerful tool for studying chemical systems. The use of ESCA (Electron Spectroscopy for Chemical Analysis) for the mapping of molecular properties connected with inner as well as outer electron shells is reviewed, mainly from a phenomological point of view. Molecular Auger electron spectroscopy is described as a means of gaining information on details in molecular structure, simultaneously being extensively applied for surface studies. Future highly promising research areas for molecular electron spectroscopy are suggested to be (e,2e) processes as well as continued exploitation of synchrotron radiation from high energy nuclear devices. (Auth.)

THE STUDY OF CLINOPTILOLITE MODIFIED WITH3d METALS HALIDES BY IR AND DIFFUSE REFLECTANCE SPECTROSCOPY

Directory of Open Access Journals (Sweden)

T. L. Rakitskaya

2015-11-01

Full Text Available The results of investigation of natural clinoptilolite (N-CLI and that modified with 3d metal halides (MeCl2/N-CLI, where Me are Cu, Co, and Mn by IR and diffuse reflectance spectroscopy are summarized. A band at 3437 cm-1 assigned to stretching vibrations of hydroxyl groups (nOH is found in the IR spectrum of the N-CLI sample. A location of the band was practically the same as for all above MeCl2/N-CLI samples. A band of middle intensity at 1638 cm-1 in the range of deformation vibrations of zeolite water observed in the IR spectrum of N-CLI slightly displays to lower frequencies in the case of the modified samples. An intensive wide band of a complex shape in the range from 1250 to 980 cm-1 assigned to Si–O–Si and Si–O–Al vibrations appears in IR spectra of all samples. A doublet band of middle intensity at 797 and 778 cm-1 is assigned to external symmetric stretching T-O vibrations and a band at 606 cm-1-to vibrations of a double ring. A location of the above bands is the same for all listed samples but their intensity is higher for MnCl2/N-CLI and CoCl2/N-CLI samples. After the reaction with ozone, significant changes in the IR spectra are observed only for MnCl2/N-CLI. They are due to MnO2 formation on the clinoptilolite surface resulting in a high frequency displacement of some bands. Based on UV-vi spectroscopy results, it is reasonable to make conclusions about the coordination and valence state of a central atom in the MeCl2/N-CLI samples under study. A location of charge transfer bands for these samples only slightly differs from that for N-CLI however the intensity of such bands increases for the MeCl2/N-CLI samples. The UV-vis spectrum of MnCl2/N-CLI changes after the reaction with ozone: the appearance of new bands of  charge transfer at 363 and 354 nm and also the two-fold increase in intensity of a charge transfer band at 272 nm in comparison with those of N-CLI and MnCl2/N-CLI are the evidence of change in both the

Development of a novel combined fluorescence and reflectance spectroscopy system for guiding high-grade glioma resections: confirmation of capability in lab experiments

Science.gov (United States)

Mousavi, Monirehalsadat; Xie, Haiyan; Xie, Zhiyuan; Brydegaard, Mikkel; Axelsson, Johan; Andersson-Engels, Stefan

2013-11-01

Total resection of glioblastoma multiform (GBM), the most common and aggressive malignant brain tumor, is challenging among other things due to difficulty in intraoperative discrimination between normal and residual tumor cells. This project demonstrates the potential of a system based on a combination of autofluorescence and diffuse reflectance spectroscopy to be useful as an intraoperative guiding tool. In this context, a system based on 5 LEDs coupled to optical fibers was employed to deliver UV/visible light to the sample sequentially. Remitted light from the tissue; including diffuse reflected and fluorescence of endogenous and exogenous fluorophores, as well as its photobleaching product, is transmitted to one photodiode and four avalanche photodiodes. This instrument has been evaluated with very promising results by performing various tissue-equivalent phantom laboratory and clinical studies on skin lesions.

Attenuated total internal reflection Fourier transform infrared spectroscopy: a quantitative approach for kidney stone analysis.

Science.gov (United States)

Gulley-Stahl, Heather J; Haas, Jennifer A; Schmidt, Katherine A; Evan, Andrew P; Sommer, André J

2009-07-01

The impact of kidney stone disease is significant worldwide, yet methods for quantifying stone components remain limited. A new approach requiring minimal sample preparation for the quantitative analysis of kidney stone components has been investigated utilizing attenuated total internal reflection Fourier transform infrared spectroscopy (ATR-FT-IR). Calcium oxalate monohydrate (COM) and hydroxylapatite (HAP), two of the most common constituents of urinary stones, were used for quantitative analysis. Calibration curves were constructed using integrated band intensities of four infrared absorptions versus concentration (weight %). The correlation coefficients of the calibration curves range from 0.997 to 0.93. The limits of detection range from 0.07 +/- 0.02% COM/HAP where COM is the analyte and HAP is the matrix, to 0.26 +/- 0.07% HAP/COM where HAP is the analyte and COM is the matrix. This study shows that linear calibration curves can be generated for the quantitative analysis of stone mixtures provided the system is well understood especially with respect to particle size.

Correction of fluorescence for depth-specific optical and vascular properties using reflectance and differential path-length spectroscopy during PDT

Science.gov (United States)

van Zaane, F.; Middelburg, T. A.; de Bruijn, H. S.; van der Ploeg-van den Heuvel, A.; de Haas, E. R. M.; Sterenborg, H. J. C. M.; Neumann, H. A. M.; Robinson, D. J.

2009-06-01

Introduction: The rate of PpIX fluorescence photobleaching is routinely used as a dose metric for ALA-PDT. Diffuse reflection spectroscopy is often used to account for variations in tissue optical properties at the photosensitizer excitation and emission bands. It can be used to quantify changes in vascular parameters, such as blood volume fraction and saturation, and can aid understanding of tissue response to PDT. The volume and(/or) depth over which these signals are acquired are critical. The aim of this study is to use quantitative reflectance spectroscopy (DPS) to correct fluorescence for changes in tissue optical properties and monitor PDT. Materials & Methods: ALA was topically applied to hairless mice skin and the incubated spot was treated with PDT according to fractionated illumination schemes. DPS measurements of vascular parameters and optical properties were performed directly before and after illumination. Both the differential signal, delivery-and-collection-fiber signal and the collection fiber signal, which all probe different measurement volumes, are analyzed. Results & Conclusions: Analysis of DPS measurements shows that at the depth where most fluorescence originates, there is almost no blood present. During PDT vascular parameters at this depth stay constant. In more oxygenated layers of the tissue, the optical properties do change during PDT, suggesting that only a small part of PpIX fluorescence originates from the interesting depths where vascular response occurs. Correcting fluorescence emission spectra for optical changes at specific depths and not for the total of changes in a larger volume, as is usually done now, can improve PpIX photobleaching based treatment monitoring.

Portable instrument that integrates irradiation with fluorescence and reflectance spectroscopies during clinical photodynamic therapy of cutaneous disease

Science.gov (United States)

Cottrell, W. J.; Oseroff, A. R.; Foster, T. H.

2006-06-01

We report a portable clinical instrument for delivering photodynamic therapy (PDT) while performing noninvasive spectroscopic monitoring in vivo. Using an off-surface probe, the instrument delivers the treatment beam to a user-defined field on the skin and performs reflectance and fluorescence spectroscopies at two regions within this field. The instrument is being used to monitor photosensitizer fluorescence photobleaching, fluorescent photoproduct kinetics, blood volume, and hemoglobin oxygen saturation during a pilot clinical trial of 5-aminolevulinic acid-PDT treatment of superficial basal cell carcinoma (BCC). Protoporphyrin IX and photoproduct fluorescence excited by the 633nm PDT treatment laser is collected between 655 and 800nm. During a series of brief treatment interruptions at programable time points, white light reflectance spectra between 475 and 800nm are acquired. Fluorescence spectra are corrected for the effects of absorption and scattering, informed by the reflectance measurements, and then decomposed into known fluorophore contributions in real time using a robust singular value decomposition fitting routine. Reflectance spectra additionally provide information on blood volume and hemoglobin oxygen saturation. Monitoring blood oxygenation and implicit dose metrics such as photosensitizer photobleaching during PDT allows the improved interpretation of clinical results and is helping to guide the treatment protocol for an anticipated low-irradiance PDT clinical trial of BCC.

Probing skin interaction with hydrogen peroxide using diffuse reflectance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Zonios, George [Department of Materials Science and Engineering, University of Ioannina, 45110 Ioannina (Greece); Dimou, Aikaterini [Department of Materials Science and Engineering, University of Ioannina, 45110 Ioannina (Greece); Galaris, Dimitrios [Laboratory of Biological Chemistry, School of Medicine, University of Ioannina, 45110 Ioannina (Greece)

2008-01-07

Hydrogen peroxide is an important oxidizing agent in biological systems. In dermatology, it is frequently used as topical antiseptic, it has a haemostatic function, it can cause skin blanching, and it can facilitate skin tanning. In this work, we investigated skin interaction with hydrogen peroxide, non-invasively, using diffuse reflectance spectroscopy. We observed transient changes in the oxyhaemoglobin and deoxyhaemoglobin concentrations as a result of topical application of dilute H{sub 2}O{sub 2} solutions to the skin, with changes in deoxyhaemoglobin concentration being more pronounced. Furthermore, we did not observe any appreciable changes in melanin absorption properties as well as in the skin scattering properties. We also found no evidence for production of oxidized haemoglobin forms. Our observations are consistent with an at least partial decomposition of hydrogen peroxide within the stratum corneum and epidermis, with the resulting oxygen and/or remaining hydrogen peroxide inducing vasoconstriction to dermal blood vessels and increasing haemoglobin oxygen saturation. An assessment of the effects of topical application of hydrogen peroxide to the skin may serve as the basis for the development of non-invasive techniques to measure skin antioxidant capacity and also may shed light onto skin related disorders such as vitiligo.

Preliminary Studies on the Reflectance Characteristics of graphene/SiO2 under Different Applied Voltages for Optical Modulation Applications

Science.gov (United States)

Beh, K. P.; Yam, F. K.; Abdalrheem, Raed; Ng, Y. Z.; Suhaimi, F. H. A.; Lim, H. S.; Mat Jafri, M. Z.

2018-04-01

A preliminary study on the interband transition of graphene was done via reflectance spectra of graphene/SiO2 sample at various applied potential. Prior to that, Raman spectroscopy and four-point probe measurement was done on graphene/SiO2 sample. It was found that the sample consisted of monolayer graphene with sheet resistance around 402.32 Ω/□. Post-processing of the reflectance data lead to the plot of ratio of change in reflectance towards reflectance at 0 V (ΔR/R) against applied potential. From there, the ratio increases along with applied potential, indicative of higher absorption due to interband transition.

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

Science.gov (United States)

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.

Retrieving the optical parameters of biological tissues using diffuse reflectance spectroscopy and Fourier series expansions. I. theory and application.

Science.gov (United States)

Muñoz Morales, Aarón A; Vázquez Y Montiel, Sergio

2012-10-01

The determination of optical parameters of biological tissues is essential for the application of optical techniques in the diagnosis and treatment of diseases. Diffuse Reflection Spectroscopy is a widely used technique to analyze the optical characteristics of biological tissues. In this paper we show that by using diffuse reflectance spectra and a new mathematical model we can retrieve the optical parameters by applying an adjustment of the data with nonlinear least squares. In our model we represent the spectra using a Fourier series expansion finding mathematical relations between the polynomial coefficients and the optical parameters. In this first paper we use spectra generated by the Monte Carlo Multilayered Technique to simulate the propagation of photons in turbid media. Using these spectra we determine the behavior of Fourier series coefficients when varying the optical parameters of the medium under study. With this procedure we find mathematical relations between Fourier series coefficients and optical parameters. Finally, the results show that our method can retrieve the optical parameters of biological tissues with accuracy that is adequate for medical applications.

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

Science.gov (United States)

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.

Quality Control of Valerianae Radix by Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) Spectroscopy.

Science.gov (United States)

Nikzad-Langerodi, Ramin; Arth, Katharina; Klatte-Asselmeyer, Valerie; Bressler, Sabine; Saukel, Johannes; Reznicek, Gottfried; Dobeš, Christoph

2018-04-01

(Acetoxy-)valerenic acid and total essential oil content are important quality attributes of pharmacy grade valerian root (Valerianae radix). Traditional analysis of these quantities is time-consuming and necessitates (harmful) solvents. Here we investigated an application of attenuated total reflection Fourier transform infrared spectroscopy for extractionless analysis of these quality attributes on a representative sample comprising 260 wild-crafted individuals covering the Central European taxonomic diversity of the Valeriana officinalis L. s. l. species aggregate with its three major ploidy cytotypes (i.e., di-, tetra- and octoploid). Calibration models were built by orthogonal partial least squares regression for quantitative analysis of (acetoxy-)valerenic acid and total essential oil content. For the latter, we propose a simplistic protocol involving apolar extraction followed by gas chromatography as a reference method for multivariate calibration in order to handle the analysis of samples taken from individual plants. We found good predictive ability of chemometric models for quantification of valerenic acid, acetoxyvalerenic acid, total sesquiterpenoid acid, and essential oil content with a root mean squared error of cross-validation of 0.064, 0.043, and 0.09 and root mean squared error of prediction of 0.066, 0.057, and 0.09 (% content), respectively. Orthogonal partial least squares discriminant analysis revealed good discriminability between the most productive phenotype (i.e., the octoploid cytotype) in terms of sesquiterpenoid acids, and the less productive ones (i.e., di- and tetraploid). All in all, our results demonstrate the application of attenuated total reflection Fourier transform infrared spectroscopy for rapid, extractionless estimation of the most important quality attributes of valerian root and minimally invasive identification of the most productive phenotype in terms of sesquiterpenoid acids. Georg Thieme Verlag KG Stuttgart · New

Near IR Scanning Angle Total Internal Reflection Raman Spectroscopy at Smooth Gold Films

Energy Technology Data Exchange (ETDEWEB)

McKee, Kristopher; Meyer, Matthew; Smith, Emily

2012-04-13

Total internal reflection (TIR) Raman and reflectivity spectra were collected for nonresonant analytes as a function of incident angle at sapphire or sapphire/smooth 50 nm gold interfaces using 785 nm excitation. For both interfaces, the Raman signal as a function of incident angle is well-modeled by the calculated interfacial mean square electric field (MSEF) relative to the incident field times the thickness of the layer being probed in the Raman measurement (D{sub RS}). The Raman scatter was reproducibly enhanced at the interface containing a gold film relative to the sapphire interface by a factor of 4.3–4.6 for aqueous pyridine or 2.2–3.7 for neat nitrobenzene, depending on the analyzed vibrational mode. The mechanism for the increased Raman signal is the enhanced MSEF at incident angles where propagating surface plasmons are excited in the metal film. The background from the TIR prism was reduced by 89–95% with the addition of the gold film, and the percent relative uncertainty in peak area was reduced from 15 to 1.7% for the 1347 cm–1 mode of nitrobenzene. Single monolayers of benzenethiol (S/N = 6.8) and 4-mercaptopyridine (S/N = 16.5) on gold films were measured by TIR Raman spectroscopy with 785 nm excitation (210 mW) without resonant enhancement in 1 min.

Soil profile property estimation with field and laboratory VNIR spectroscopy

Science.gov (United States)

Diffuse reflectance spectroscopy (DRS) soil sensors have the potential to provide rapid, high-resolution estimation of multiple soil properties. Although many studies have focused on laboratory-based visible and near-infrared (VNIR) spectroscopy of dried soil samples, previous work has demonstrated ...

Experimental analysis of bruises in human volunteers using radiometric depth profiling and diffuse reflectance spectroscopy

Science.gov (United States)

Vidovič, Luka; Milanič, Matija; Majaron, Boris

2015-07-01

We combine pulsed photothermal radiometry (PPTR) depth profiling with diffuse reflectance spectroscopy (DRS) measurements for a comprehensive analysis of bruise evolution in vivo. While PPTR enables extraction of detailed depth distribution and concentration profiles of selected absorbers (e.g. melanin, hemoglobin), DRS provides information in a wide range of visible wavelengths and thus offers an additional insight into dynamics of the hemoglobin degradation products. Combining the two approaches enables us to quantitatively characterize bruise evolution dynamics. Our results indicate temporal variations of the bruise evolution parameters in the course of bruise self-healing process. The obtained parameter values and trends represent a basis for a future development of an objective technique for bruise age determination.

Optical second-harmonic and reflectance-anisotropy spectroscopy of molecular adsorption at Si(001) step-edges

Energy Technology Data Exchange (ETDEWEB)

Ehlert, Robert; Kwon, Jinhee; Downer, Michael C. [University of Texas at Austin, Department of Physics, Austin, TX 78712-1081 (United States)

2008-07-01

Reflectance-anisotropy spectroscopy (RAS) and spectroscopic second harmonic generation (SHG) are used to probe a single-domain reconstructed stepped Si(001) surface offcut 6 toward[110] before and after dissociative adsorption of H{sub 2} at the D{sub B} step edges. Preliminary analysis with a simplified bond hyperpolarizability model supports the mutual consistency of RA and SHG spectra and suggests that hydrogen termination redistributes oscillator strength from the chemically active step dangling bond into the step back bonds. The data provide a benchmark for first-principles calculations of the optical response of stepped Si surfaces to step edge molecular adsorption. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Reflection-time-of-flight spectrometer for two-electron (e,2e) coincidence spectroscopy on surfaces

International Nuclear Information System (INIS)

Kirschner, J.; Kerherve, G.; Winkler, C.

2008-01-01

In this article, a novel time-of-flight spectrometer for two-electron-emission (e,2e/γ,2e) correlation spectroscopy from surfaces at low electron energies is presented. The spectrometer consists of electron optics that collect emitted electrons over a solid angle of approximately 1 sr and focus them onto a multichannel plate using a reflection technique. The flight time of an electron with kinetic energy of E kin ≅25 eV is around 100 ns. The corresponding time- and energy resolution are typically ≅1 ns and ≅0.65 eV, respectively. The first (e,2e) data obtained with the present setup from a LiF film are presented

Optical reflection spectroscopy of thick corrosion layers on 304 stainless steel

International Nuclear Information System (INIS)

Castelli, R.A.; Persans, P.D.; Strohmayer, W.; Parkinson, V.

2007-01-01

Corrosion resistant structural materials of both iron and nickel based alloys are used in the electric power industry for the construction of the coolant loops of both conventional and nuclear power generating stations. These materials, in the presence of high temperature (e.g. 287 o C), high pH (e.g. 10.0 at 20 o C) water with dissolved hydrogen will oxidize and form corrosion films that are double metal oxides (or spinels) of the form AB 2 O 4 . This work describes optical reflectivity techniques that have been developed to study the growth of these films in situ. The optical technique uses a dual-beam specular reflection spectrometer to measure the spectrum of reflected light in small angle (i.e. o ) scatter. The reflection spectra are then calibrated using a set of corrosion coupons with corrosion films that are well known. Results are compared with models based on multilayer reflection and Mie scattering from a particle size distribution. Surface roughness is found to be the dominant cause of reduced reflection as the films grow

Diffuse reflectance spectroscopy for optical soft tissue differentiation as remote feedback control for tissue-specific laser surgery.

Science.gov (United States)

Stelzle, Florian; Tangermann-Gerk, Katja; Adler, Werner; Zam, Azhar; Schmidt, Michael; Douplik, Alexandre; Nkenke, Emeka

2010-04-01

Laser surgery does not provide haptic feedback for operating layer-by-layer and thereby preserving vulnerable anatomical structures like nerve tissue or blood vessels. Diffuse reflectance spectra can facilitate remote optical tissue differentiation. It is the aim of the study to use this technique on soft tissue samples, to set a technological basis for a remote optical feedback system for tissue-specific laser surgery. Diffuse reflectance spectra (wavelength range: 350-650 nm) of ex vivo types of soft tissue (a total of 10,800 spectra) of the midfacial region of domestic pigs were remotely measured under reduced environmental light conditions and analyzed in order to differentiate between skin, mucosa, muscle, subcutaneous fat, and nerve tissue. We performed a principal components (PC) analysis (PCA) to reduce the number of variables. Linear discriminant analysis (LDA) was utilized for classification. For the tissue differentiation, we calculated the specificity and sensitivity by receiver operating characteristic (ROC) analysis and the area under curve (AUC). Six PCs were found to be adequate for tissue differentiation with diffuse reflectance spectra using LDA. All of the types of soft tissue could be differentiated with high specificity and sensitivity. Only the tissue pairs nervous tissue/fatty tissue and nervous tissue/mucosa showed a decline of differentiation due to bio-structural similarity. However, both of these tissue pairs could still be differentiated with a specificity and sensitivity of more than 90%. Analyzing diffuse reflectance spectroscopy with PCA and LDA allows for remote differentiation of biological tissue. Considering the limitations of the ex vivo conditions, the obtained results are promising and set a basis for the further development of a feedback system for tissue-specific laser surgery. (c) 2010 Wiley-Liss, Inc.

Diffuse reflectance startigraphy - a new method in the study of loess (?)

Science.gov (United States)

József, Szeberényi; Balázs, Bradák; Klaudia, Kiss; József, Kovács; György, Varga; Réka, Balázs; Viczián, István

2017-04-01

The different varieties of loess (and intercalated paleosol layers) together constitute one of the most widespread terrestrial sediments, which was deposited, altered, and redeposited in the course of the changing climatic conditions of the Pleistocene. To reveal more information about Pleistocene climate cycles and/or environments the detailed lithostratigraphical subdivision and classification of the loess variations and paleosols are necessary. Beside the numerous method such as various field measurements, semi-quantitative tests and laboratory investigations, diffuse reflectance spectroscopy (DRS) is one of the well applied method on loess/paleosol sequences. Generally, DRS has been used to separate the detrital and pedogenic mineral component of the loess sections by the hematite/goethite ratio. DRS also has been applied as a joint method of various environmental magnetic investigations such as magnetic susceptibility- and isothermal remanent magnetization measurements. In our study the so-called "diffuse reflectance stratigraphy method" were developed. At First, complex mathematical method was applied to compare the results of the spectral reflectance measurements. One of the most preferred multivariate methods is cluster analysis. Its scope is to group and compare the loess variations and paleosol based on the similarity and common properties of their reflectance curves. In the Second, beside the basic subdivision of the profiles by the different reflectance curves of the layers, the most characteristic wavelength section of the reflectance curve was determined. This sections played the most important role during the classification of the different materials of the section. The reflectance value of individual samples, belonged to the characteristic wavelength were depicted in the function of depth and well correlated with other proxies like grain size distribution and magnetic susceptibility data. The results of the correlation showed the significance of the

Combining total internal reflection sum frequency spectroscopy spectral imaging and confocal fluorescence microscopy.

Science.gov (United States)

Allgeyer, Edward S; Sterling, Sarah M; Gunewardene, Mudalige S; Hess, Samuel T; Neivandt, David J; Mason, Michael D

2015-01-27

Understanding surface and interfacial lateral organization in material and biological systems is critical in nearly every field of science. The continued development of tools and techniques viable for elucidation of interfacial and surface information is therefore necessary to address new questions and further current investigations. Sum frequency spectroscopy (SFS) is a label-free, nonlinear optical technique with inherent surface specificity that can yield critical organizational information on interfacial species. Unfortunately, SFS provides no spatial information on a surface; small scale heterogeneities that may exist are averaged over the large areas typically probed. Over the past decade, this has begun to be addressed with the advent of SFS microscopy. Here we detail the construction and function of a total internal reflection (TIR) SFS spectral and confocal fluorescence imaging microscope directly amenable to surface investigations. This instrument combines, for the first time, sample scanning TIR-SFS imaging with confocal fluorescence microscopy.

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

Science.gov (United States)

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.

Diffuse reflectance spectroscopy as a tool for real-time tissue assessment during colorectal cancer surgery

Science.gov (United States)

Baltussen, Elisabeth J. M.; Snaebjornsson, Petur; de Koning, Susan G. Brouwer; Sterenborg, Henricus J. C. M.; Aalbers, Arend G. J.; Kok, Niels; Beets, Geerard L.; Hendriks, Benno H. W.; Kuhlmann, Koert F. D.; Ruers, Theo J. M.

2017-10-01

Colorectal surgery is the standard treatment for patients with colorectal cancer. To overcome two of the main challenges, the circumferential resection margin and postoperative complications, real-time tissue assessment could be of great benefit during surgery. In this ex vivo study, diffuse reflectance spectroscopy (DRS) was used to differentiate tumor tissue from healthy surrounding tissues in patients with colorectal neoplasia. DRS spectra were obtained from tumor tissue, healthy colon, or rectal wall and fat tissue, for every patient. Data were randomly divided into training (80%) and test (20%) sets. After spectral band selection, the spectra were classified using a quadratic classifier and a linear support vector machine. Of the 38 included patients, 36 had colorectal cancer and 2 had an adenoma. When the classifiers were applied to the test set, colorectal cancer could be discriminated from healthy tissue with an overall accuracy of 0.95 (±0.03). This study demonstrates the possibility to separate colorectal cancer from healthy surrounding tissue by applying DRS. High classification accuracies were obtained both in homogeneous and inhomogeneous tissues. This is a fundamental step toward the development of a tool for real-time in vivo tissue assessment during colorectal surgery.

Assessment of biophysical tumor response to PDT in pancreatic cancer using localized reflectance spectroscopy

Science.gov (United States)

Isabelle, Martin; Klubben, William; He, Ting; Laughney, Ashley M.; Glaser, Adam; Krishnaswamy, Venkataramanan; Hoopes, P. Jack; Hasan, Tayyaba; Pogue, Brian W.

2011-02-01

Biophysical changes such as inflammation and necrosis occur immediately following PDT and may be used to assess the treatment response to PDT treatment in-vivo. This study uses localized reflectance measurements to quantify the scatter changes in tumor tissue occurring in response to verteporfin-based PDT treatment in xenograft pancreas tumors. Nude mice were implanted with subcutaneous AsPC-1 pancreatic tumors cells in matrigel, and allowed to establish solid tumors near 100mm3 volume. The mice were sensitized with 1mg/kg of the active component of verteporfin (benzoporphryin derivative, BPD), one hour before light delivery. The optical irradiation was performed using a 1 cm cylindrical interstitial diffusing tip fiber with 20J of red light (690nm). Tumor tissue was excised progressively and imaged, from 1 day to 4 weeks, after PDT treatment. The tissue sections were stained and analyzed by an expert veterinary pathologist, who provided information on tissue regions of interest. This information was correlated with variations in scattering and absorption parameters elucidated from the spectral images and the degree of necrosis and inflammation involvement was identified. Areas of necrosis and dead cells exhibited the lowest average scatter irradiance signature (3.78 and 4.07 respectively) compared to areas of viable pancreatic tumor cells and areas of inflammation (5.81 and 7.19 respectively). Bilirubin absorbance parameters also showed a lower absorbance value in necrotic tissue and areas of dead cells (0.05 and 0.1 respectively) compared to tissue areas for viable pancreatic tumor cells and areas of inflammation (0.28 and 0.35). These results demonstrate that localized reflectance spectroscopy is an imaging modality that can be used to identify tissue features associated with PDT treatment (e.g. necrosis and inflammation) that can be correlated with histopathologically-reviewed H&E stained slides. Further study of this technique may provide means for automated

Two gap superconductivity in Ba0.55K0.45Fe2As2 single crystals studied by the directional point-contact Andreev reflection spectroscopy

International Nuclear Information System (INIS)

Szabo, P.; Pribulova, Z.; Pristas, G.; Bud'ko, S.L.; Canfield, P.C.; Samuely, P.

2009-01-01

First directional point-contact Andreev reflection spectroscopy on the Ba 0.55 K 0.45 Fe 2 As 2 single crystals is presented. The spectra show significant differences when measured in the ab plane in comparison with those measured in the c direction. In the latter case no traces of superconducting energy gap could be found, just a reduced point-contact conductance persisting up to about 100 K and indicating reduced density of states. On the other hand within the ab plane two nodeless superconducting energy gaps Δ S ∼2-5 meV and Δ L ∼9-11 meV are detected.

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

Energy Technology Data Exchange (ETDEWEB)

Watanabe, Yoshihide, E-mail: e0827@mosk.tytlabs.co.jp; Nishimura, Yusaku F.; Suzuki, Ryo; Beniya, Atsushi; Isomura, Noritake [Toyota Central R& D Labs., Inc., Yokomichi 41-1, Nagakute, Aichi 480-1192 (Japan); Uehara, Hiromitsu; Asakura, Kiyotaka; Takakusagi, Satoru [Catalysis Research Center, Hokkaido University, Kita 21-10, Sapporo, Hokkaido 001-0021 (Japan); Nimura, Tomoyuki [AVC Co., Ltd., Inada 1450-6, Hitachinaka, Ibaraki 312-0061 (Japan)

2016-03-15

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 demonstrated by a successful PTRF-XAFS study of Pt{sub 4} clusters deposited on a TiO{sub 2}(110) surface.

Diffuse Reflectance Infrared Fourier Transform Study of NOx Adsorption on CGO10 Impregnated with K2O or BaO

DEFF Research Database (Denmark)

Traulsen, Marie Lund; Härelind Ingelsten, H.; Kammer Hansen, Kent

2012-01-01

In the present work Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectroscopy is applied to study the adsorption of NOx at 300-500 °C in different atmospheres on gadolinium doped ceria (CGO), an important material in electrodes investigated for electrochemical NOx removal. Furthermore...

Monitoring longitudinal changes in irradiated head and neck cancer xenografts using diffuse reflectance spectroscopy

Science.gov (United States)

Vishwanath, Karthik; Jiang, Shudong; Gunn, Jason R.; Marra, Kayla; Andreozzi, Jacqueline M.; Pogue, Brian W.

2016-02-01

Radiation therapy is often used as the preferred clinical treatment for control of localized head and neck cancer. However, during the course of treatment (6-8 weeks), feedback about functional and/or physiological changes within impacted tissue are not obtained, given the onerous financial and/or logistical burdens of scheduling MRI, PET or CT scans. Diffuse optical sensing is well suited to address this problem since the instrumentation can be made low-cost and portable while still being able to non-invasively provide information about vascular oxygenation in vivo. Here we report results from studies that employed an optical fiber-based portable diffuse reflectance spectroscopy (DRS) system to longitudinally monitor changes in tumor vasculature within two head and neck cancer cell lines (SCC-15 and FaDu) xenografted in the flanks of nude mice, in two separate experiments. Once the tumor volumes were 100mm3, 67% of animals received localized (electron beam) radiation therapy in five fractions (8Gy/day, for 5 days) while 33% of the animals served as controls. DRS measurements were obtained from each animal on each day of treatment and then for two weeks post-treatment. Reflectance spectra were parametrized to extract total hemoglobin concentration and blood oxygen-saturation and the resulting time-trends of optical parameters appear to be dissimilar for the two cell-lines. These findings are also compared to previous animal experiments (using the FaDu line) that were irradiated using a photon beam radiotherapy protocol. These results and implications for the use of fiber-based DRS measurements made at local (irradiated) tumor site as a basis for identifying early radiotherapy-response are presented and discussed.

Critical comparison of diffuse reflectance spectroscopy and colorimetry as dermatological diagnostic tools for acanthosis nigricans: a chemometric approach.

Science.gov (United States)

Devpura, Suneetha; Pattamadilok, Bensachee; Syed, Zain U; Vemulapalli, Pranita; Henderson, Marsha; Rehse, Steven J; Hamzavi, Iltefat; Lim, Henry W; Naik, Ratna

2011-06-01

Quantification of skin changes due to acanthosis nigricans (AN), a disorder common among insulin-resistant diabetic and obese individuals, was investigated using two optical techniques: diffuse reflectance spectroscopy (DRS) and colorimetry. Measurements were obtained from AN lesions on the neck and two control sites of eight AN patients. A principal component/discriminant function analysis successfully differentiated between AN lesion and normal skin with 87.7% sensitivity and 94.8% specificity in DRS measurements and 97.2% sensitivity and 96.4% specificity in colorimetry measurements.

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

Science.gov (United States)

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.

Diffuse reflectance spectroscopy and optical polarization imaging of in-vivo biological tissue

Science.gov (United States)

Mora-Núñez, A.; Castillejos, Y.; García-Torales, G.; Martínez-Ponce, G.

2013-11-01

A number of optical techniques have been reported in the scientific literature as accomplishable methodologies to diagnose diseases in biological tissue, for instance, diffuse reflectance spectroscopy (DRS) and optical polarization imaging (OPI). The skin is the largest organ in the body and consists of three primary layers, namely, the epidermis (the outermost layer exposed to the world), the dermis, and the hypodermis. The epidermis changes from to site to site, mainly because of difference in hydration. A lower water content increase light scattering and reduce the penetration depth of radiation. In this work, two hairless mice have been selected to evaluate their skin features by using DRS and OPI. Four areas of the specimen body were chosen to realize the comparison: back, abdomen, tail, and head. From DRS, it was possible to distinguish the skin nature because of different blood irrigation at dermis. In the other hand, OPI shows pseudo-depolarizing regions in the measured Mueller images related to a spatially varying propagation of the scattered light. This provides information about the cell size in the irradiated skin.

Studying flow close to an interface by total internal reflection fluorescence cross-correlation spectroscopy: Quantitative data analysis

Science.gov (United States)

Schmitz, R.; Yordanov, S.; Butt, H. J.; Koynov, K.; Dünweg, B.

2011-12-01

Total internal reflection fluorescence cross-correlation spectroscopy (TIR-FCCS) has recently [S. Yordanov , Optics ExpressOPEXFF1094-408710.1364/OE.17.021149 17, 21149 (2009)] been established as an experimental method to probe hydrodynamic flows near surfaces, on length scales of tens of nanometers. Its main advantage is that fluorescence occurs only for tracer particles close to the surface, thus resulting in high sensitivity. However, the measured correlation functions provide only rather indirect information about the flow parameters of interest, such as the shear rate and the slip length. In the present paper, we show how to combine detailed and fairly realistic theoretical modeling of the phenomena by Brownian dynamics simulations with accurate measurements of the correlation functions, in order to establish a quantitative method to retrieve the flow properties from the experiments. First, Brownian dynamics is used to sample highly accurate correlation functions for a fixed set of model parameters. Second, these parameters are varied systematically by means of an importance-sampling Monte Carlo procedure in order to fit the experiments. This provides the optimum parameter values together with their statistical error bars. The approach is well suited for massively parallel computers, which allows us to do the data analysis within moderate computing times. The method is applied to flow near a hydrophilic surface, where the slip length is observed to be smaller than 10nm, and, within the limitations of the experiments and the model, indistinguishable from zero.

The laser spectroscopy for the quality and safety food of vegetables

International Nuclear Information System (INIS)

Falconieri, Mauro; Sighicelli, Maria

2015-01-01

ENEA has long been engaged in research in order to the development of instrumentation and application of spectroscopic methods for monitoring and diagnostics early and non-destructive state of health of plants and the quality of food products. In addition to the most common spectroscopic techniques (such as the Fourier transform infrared spectroscopy, the spectroscopy transmittance and reflectance in the visible and near infrared spectroscopy and photoluminescence), the use of which in the agro-industry is well documented in the scientific literature, particular attention has recently been paid to the Raman spectroscopy and reflectance spectroscopy Time resolved (time-resolved reflectivity spectroscopy, TRRS) with ultrashort laser pulses (in the domain of hundreds of femto seconds, 10 -15 s). [it

Tunable All Reflective Spatial Heterodyne Spectroscopy, A Technique For High Resolving Power Observation OI Defused Emission Line Sources

Science.gov (United States)

Hosseini, Seyedeh Sona

The solar system presents a challenge to spectroscopic observers, because it is an astrophysically low energy environment populated with often angularly extended targets (e.g, interplanetary medium, comets, planetary upper atmospheres, and planet and satellite near space environments). Spectroscopy is a proven tool for determining compositional and other properties of remote objects. Narrow band imaging and low resolving spectroscopic measurements provide information about composition, photochemical evolution, energy distribution and density. The extension to high resolving power provides further access to temperature, velocity, isotopic ratios, separation of blended sources, and opacity effects. The drawback of high-resolution spectroscopy comes from the instrumental limitations of lower throughput, the necessity of small entrance apertures, sensitivity, field of view, and large physical instrumental size. These limitations quickly become definitive for faint and/or extended targets and for spacecraft encounters. An emerging technique with promise for the study of faint, extended sources at high resolving power is the all-reflective form of the Spatial Heterodyne Spectrometer (SHS). SHS instruments are compact and naturally possess both high etendue and high resolving power. To achieve similar spectral grasp, grating spectrometers require big telescopes. SHS is a common-path beam Fourier transform interferometer that produces Fizeau fringe pattern for all other wavelengths except the tuned wavelength. Compared to similar Fourier transform Spectrometers (FTS), SHS has considerably relaxed optical tolerances that make it easier to use in the visible and UV spectral ranges. The large etendue of SHS instruments makes them ideal for observations of extended, low surface brightness, isolated emission line sources, while their intrinsically high spectral resolution enables the study of the dynamical and spectral characteristics described above. SHS also combines very

Estimation of soil profile properties using field and laboratory VNIR spectroscopy

Science.gov (United States)

Diffuse reflectance spectroscopy (DRS) soil sensors have the potential to provide rapid, high-resolution estimation of multiple soil properties. Although many studies have focused on laboratory-based visible and near-infrared (VNIR) spectroscopy of dried soil samples, previous work has demonstrated ...

Searching for reflected light from τ Bootis b with high-resolution ground-based spectroscopy: Approaching the 10-5 contrast barrier

Science.gov (United States)

Hoeijmakers, H. J.; Snellen, I. A. G.; van Terwisga, S. E.

2018-02-01

Context. It is challenging to measure the starlight reflected from exoplanets because of the extreme contrast with their host stars. For hot Jupiters, this contrast is in the range of 10-6 to 10-4, depending on their albedo, radius and orbital distance. Searches for reflected light have been performed since the first hot Jupiters were discovered, but with very limited success because hot Jupiters tend to have low albedo values due to the general absence of reflective cloud decks. Aim. The aim of this study is to search for reflected light from τ Boo b, a hot Jupiter with one of the brightest host stars. Since its discovery in 1997, it has been the subject of several reflected-light searches using high-dispersion spectroscopy. Here we aim to combine these data in to a single meta-analysis. Methods: We analysed more than 2000 archival high-dispersion spectra obtained with the UVES, ESPaDOnS, NARVAL UES and HARPS-N spectrographs during various epochs between 1998 and 2013. Each spectrum was first cleaned of the stellar spectrum and subsequently cross-correlated with a PHOENIX model spectrum. These were then Doppler shifted to the planet rest-frame and co-added in time, weighted according to the expected signal-to-noise of the planet signal. Results: We reach a 3σ upper limit of the planet-to-star contrast of 1.5 × 10-5. Assuming a planet radius of 1.15 RJ, this corresponds to an optical albedo of between 400-700 nm. A low albedo is in line with secondary eclipse and phase curve observations of other hot Jupiters using space-based observatories, as well as theoretical predictions of their reflective properties.

Source Determination of Red Gel Pen Inks using Raman Spectroscopy and Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy combined with Pearson's Product Moment Correlation Coefficients and Principal Component Analysis.

Science.gov (United States)

Mohamad Asri, Muhammad Naeim; Mat Desa, Wan Nur Syuhaila; Ismail, Dzulkiflee

2018-01-01

The potential combination of two nondestructive techniques, that is, Raman spectroscopy (RS) and attenuated total reflectance-fourier transform infrared (ATR-FTIR) spectroscopy with Pearson's product moment correlation (PPMC) coefficient (r) and principal component analysis (PCA) to determine the actual source of red gel pen ink used to write a simulated threatening note, was examined. Eighteen (18) red gel pens purchased from Japan and Malaysia from November to December 2014 where one of the pens was used to write a simulated threatening note were analyzed using RS and ATR-FTIR spectroscopy, respectively. The spectra of all the red gel pen inks including the ink deposited on the simulated threatening note gathered from the RS and ATR-FTIR analyses were subjected to PPMC coefficient (r) calculation and principal component analysis (PCA). The coefficients r = 0.9985 and r = 0.9912 for pairwise combination of RS and ATR-FTIR spectra respectively and similarities in terms of PC1 and PC2 scores of one of the inks to the ink deposited on the simulated threatening note substantiated the feasibility of combining RS and ATR-FTIR spectroscopy with PPMC coefficient (r) and PCA for successful source determination of red gel pen inks. The development of pigment spectral library had allowed the ink deposited on the threatening note to be identified as XSL Poppy Red (CI Pigment Red 112). © 2017 American Academy of Forensic Sciences.

The problem of 2,4,6-trichloroanisole in cork planks studied by attenuated total reflection infrared spectroscopy: proof of concept.

Science.gov (United States)

Garcia, Ana R; Lopes, Luís F; Brito de Barros, Ricardo; Ilharco, Laura M

2015-01-14

Attenuated total reflection infrared spectroscopy (ATR-IR) proved to be a promising detection technique for 2,4,6-trichloroanisole (TCA), which confers organoleptic defects to bottled alcoholic beverages, allowing the proposal of a criterion for cork plank acceptance when meant for stopper production. By analysis of a significant number of samples, it was proved that the presence of TCA, even in very low concentrations, imparts subtle changes to the cork spectra, namely, the growth of two new bands at ∼1417 (νC═C of TCA ring) and 1314 cm–1 (a shifted νCC of TCA) and an increase in the relative intensities of the bands at ∼1039 cm–1 (δCO of polysaccharides) and ∼813 cm–1 (τCH of suberin), the latter by overlapping with intense bands of TCA. These relative intensities were evaluated in comparison to a fingerprint of suberin (νasC–O–C), at 1161 cm–1. On the basis of those spectral variables, a multivariate statistics linear analysis (LDA) was performed to obtain a discriminant function that allows classifying the samples according to whether they contain or not TCA. The methodology proposed consists of a demanding acceptance criterion for cork planks destined for stopper production (with the guarantee of nonexistence of TCA) that results from combining the quantitative results with the absence of the two TCA correlated bands. ATR infrared spectroscopy is a nondestructive and easy to apply technique, both on cork planks and on stoppers, and has proven more restrictive than other techniques used in the cork industry that analyze the cleaning solutions. At the level of proof of concept, the method here proposed is appealing for high-value stopper applications.

Discrimination of the hard keratins animal horn and chelonian shell using attenuated total reflection-infrared spectroscopy.

Science.gov (United States)

Biscardi, Brianna; Welsh, Wendy; Kennedy, Anthony

2012-05-01

The ability to discriminate between objects manufactured from animal horn and chelonian (turtle, tortoise, or terrapin) shell is important from a cultural and archeological perspective such that it may allow conservators to determine the appropriate treatment and long-term care solution. It would also aid curators in identifying and cataloging items manufactured from these materials. Discrimination and classification is also a valuable tool for those involved in tracking the illegal trade in restricted materials of this nature. Attenuated total reflection infrared (ATR-IR) spectroscopy, using a single reflection diamond internal reflection element (IRE), coupled with discrimination analysis was used to analyze a total of thirty-nine samples (29 calibration samples, 10 validation samples). A discrimination analysis model was constructed using Mahalanobis distances to classify spectra into one of two classes. The model was then subsequently used to successfully classify all validation samples and correctly identify them as animal horn or chelonian shell based on second-derivative spectra of the amide I and II regions. This technique requires minimal to no sample preparation and may be used to nondestructively identify very small samples successfully without performing detailed secondary structural curve-fitting routines. This model should be a valuable resource to museums, conservators, and wildlife management programs for rapidly and reliably discriminating between animal horn and chelonian shell.

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

Science.gov (United States)

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.

Direct determination of lycopene content in tomatoes (Lycopersicon esculentum) by attenuated total reflectance infrared spectroscopy and multivariate analysis.

Science.gov (United States)

Halim, Yuwana; Schwartz, Steven J; Francis, David; Baldauf, Nathan A; Rodriguez-Saona, Luis E

2006-01-01

Lycopene is a potent antioxidant that has been shown to play critical roles in disease prevention. Efficient assays for detection and quantification of lycopene are desirable as alternatives to time- and labor-intensive methods. Attenuated total reflectance infrared (ATR-IR) spectroscopy was used for quantification of lycopene in tomato varieties. Calibration models were developed by partial least-squares regression (PLSR) using quantitative measures of lycopene concentration from liquid chromatography as reference method. IR spectra showed a distinct marker band at 957 cm(-1) for trans Carbon-Hydrogen (CH) deformation vibration of lycopene. PLSR models predicted the lycopene content accurately and reproducibly with a correlation coefficient (sigma) of 0.96 and standard error of cross-validation ATR-IR spectroscopy allowed for rapid, simple, and accurate determination of lycopene in tomatoes with minimal sample preparation. Results suggest that the ATR-IR method is applicable for high-throughput quantitative analysis and screening for lycopene in tomatoes.

Magnetoanisotropic spin-triplet Andreev reflection in ferromagnet-Ising superconductor junctions

Science.gov (United States)

Lv, Peng; Zhou, Yan-Feng; Yang, Ning-Xuan; Sun, Qing-Feng

2018-04-01

We theoretically study the electronic transport through a ferromagnet-Ising superconductor junction. A tight-binding Hamiltonian describing the Ising superconductor is presented. Then by combining the nonequilibrium Green's function method, the expressions of Andreev reflection coefficient and conductance are obtained. A strong magnetoanisotropic spin-triplet Andreev reflection is shown, and the magnetoanisotropic period is π instead of 2 π as in the conventional magnetoanisotropic system. We demonstrate a significant increase of the spin-triplet Andreev reflection for the single-band Ising superconductor. Furthermore, the dependence of the Andreev reflection on the incident energy and incident angle are also investigated. A complete Andreev reflection can occur when the incident energy is equal to the superconducting gap, regardless of the Fermi energy (spin polarization) of the ferromagnet. For the suitable oblique incidence, the spin-triplet Andreev reflection can be strongly enhanced. In addition, the conductance spectroscopies of both zero bias and finite bias are studied, and the influence of gate voltage, exchange energy, and spin-orbit coupling on the conductance spectroscopy are discussed in detail. The conductance exhibits a strong magnetoanisotropy with period π as the Andreev reflection coefficient. When the magnetization direction is parallel to the junction plane, a large conductance peak always emerges at the superconducting gap. This work offers a comprehensive and systematic study of the spin-triplet Andreev reflection and has an underlying application of π -periodic spin valve in spintronics.

Synergistic efficacy of salicylic acid with a penetration enhancer on human skin monitored by OCT and diffuse reflectance spectroscopy

Science.gov (United States)

Zhao, Qingliang; Dai, Cuixia; Fan, Shanhui; Lv, Jing; Nie, Liming

2016-10-01

Salicylic acid (SA) has been frequently used as a facial chemical peeling agent (FCPA) in various cosmetics for facial rejuvenation and dermatological treatments in the clinic. However, there is a tradeoff between therapeutic effectiveness and possible adverse effects caused by this agent for cosmetologists. To optimize the cosmetic efficacy with minimal concentration, we proposed a chemical permeation enhancer (CPE) azone to synergistically work with SA on human skin in vivo. The optical properties of human skin after being treated with SA alone and SA combined with azone (SA@azone) were successively investigated by diffuse reflectance spectroscopy (DRS) and optical coherence tomography (OCT). Our results revealed that as the SA concentration increased, the light reflectance decreased and the absorption increased. We also found that SA@azone exhibited a synergistic effect on enhancing light penetration and OCT imaging depth. We demonstrated that the combination of DRS and OCT techniques could be used as a noninvasive, rapid and accurate measurement method to monitor the subtle changes of skin tissue after treatment with FCPA and CPE. The approach will greatly benefit the development of clinical cosmetic surgery, dermatosis diagnosis and therapeutic effect inspection in related biomedical studies.

Differentiation of Body Fluid Stains on Fabrics Using External Reflection Fourier Transform Infrared Spectroscopy (FT-IR) and Chemometrics.

Science.gov (United States)

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.

Determination of oxygen content and carbonate impurity in YBa2Cu3O7-x by diffuse reflectance infrared spectroscopy

International Nuclear Information System (INIS)

Merzbacher, C.I.; Bonner, B.P.

1991-01-01

Samples of YBa 2 Cu 3 O 7-x with x ranging from ∼0 to 0.65 have been analyzed by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) in the midinfrared region (400--6000 cm -1 ). Spectral line shapes vary gradually as a function of oxygen stoichiometry, and the reflectance at 400 and 1000 cm -1 decreases linearly with decreasing oxygen content. Spectra of samples that were incompletely synthesized or exposed to a 4% CO 2 atmosphere at 650 degree C clearly indicated the presence of carbonate. DRIFTS is therefore a quick, nondestructive method for determining oxygen content in YBa 2 Cu 3 O 7-x powders, and for detecting carbonate species due to synthesis error or reaction with CO 2 -bearing atmosphere

Effect of reflective practice education on self-reflection, insight, and reflective thinking among experienced nurses: a pilot study.

Science.gov (United States)

Asselin, Marilyn E; Fain, James A

2013-01-01

A mixed-method study was conducted to determine whether nurses' participation in a reflective practice continuing education program using a structured reflection model makes a difference in nurses' self-reflection, insight, and reflective thinking about clinical practice situations. Findings suggested that use of structured reflection using question cues, written narratives, and peer-facilitated reflection increased nurses' engagement in self-reflection and enhanced reflective thinking in practice. Including reflective practice education in novice orientation and preceptor training may be beneficial.

Re-evaluation of model-based light-scattering spectroscopy for tissue spectroscopy

Science.gov (United States)

Lau, Condon; Šćepanović, Obrad; Mirkovic, Jelena; McGee, Sasha; Yu, Chung-Chieh; Fulghum, Stephen; Wallace, Michael; Tunnell, James; Bechtel, Kate; Feld, Michael

2009-01-01

Model-based light scattering spectroscopy (LSS) seemed a promising technique for in-vivo diagnosis of dysplasia in multiple organs. In the studies, the residual spectrum, the difference between the observed and modeled diffuse reflectance spectra, was attributed to single elastic light scattering from epithelial nuclei, and diagnostic information due to nuclear changes was extracted from it. We show that this picture is incorrect. The actual single scattering signal arising from epithelial nuclei is much smaller than the previously computed residual spectrum, and does not have the wavelength dependence characteristic of Mie scattering. Rather, the residual spectrum largely arises from assuming a uniform hemoglobin distribution. In fact, hemoglobin is packaged in blood vessels, which alters the reflectance. When we include vessel packaging, which accounts for an inhomogeneous hemoglobin distribution, in the diffuse reflectance model, the reflectance is modeled more accurately, greatly reducing the amplitude of the residual spectrum. These findings are verified via numerical estimates based on light propagation and Mie theory, tissue phantom experiments, and analysis of published data measured from Barrett’s esophagus. In future studies, vessel packaging should be included in the model of diffuse reflectance and use of model-based LSS should be discontinued. PMID:19405760

AlGaAs/GaAs two-dimensional electron gas structures studied by photo reflectance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Guillen Cervantes, A; Rivera Alvarez, Z; Hernandez, F; Huerta, J. [Instituto Politecnico Nacional, Mexico, D.F. (Mexico); Mendez Garcia, V. H.; Lastras Martinez, A.; Zamora, L.; Saucedo, N. [Universidad Autonoma de San Luis Potosi, San Luis Potosi (Mexico); Melendez Lira, M; Lopez, M [Instituto Politecnico Nacional, Mexico, D.F. (Mexico)

2001-12-01

Al{sub x} Ga{sub 1}-x As/GaAs two-dimensional electron gas (2-DEG) heterostructures were fabricated by molecular beam epitaxy in three different laboratories. The samples were characterized by room temperature Photo reflectance (PR) spectroscopy and measurements at 77 K. Internal electric fields were detected by the presence of Franz-Keldysh (FK) oscillations in the PR spectra. >From a FK analysis we obtained the GaAs band-gap energy and the built-in electric field strength in each sample. On the other hand, in the energy region corresponding to Al{sub x} Ga{sub 1}-x As a broad PR signal was registered typical of a highly doped material. Using the third derivative theory we obtained the Al{sub x} Ga{sub 1}-x As band-gap energy, and from this value the Al concentration in the samples. Results showed that the sample with highest electron mobility exhibited the lowest internal electric field strength. [Spanish] Se fabricaron heteroestructuras del tipo Al{sub x} Ga{sub 1}-x As/GaAs con un gas de electrones en dos dimensiones por medio de epitaxia de haces moleculares en tres laboratorios diferentes. Las muestras se caracterizaron por fotorreflectancia (FR) a temperatura ambiente y por mediciones del efecto mayor a 77 K. Campos electricos internos se detectaron por la presencia de oscilaciones Franz-Leldysh (FK) en los espectros de FR. Del analisis de las oscilaciones FK obtuvimos la energia de la brecha prohibida del GaAs y la intensidad del campo electrico interno en cada muestra. Por otra parte, en la region de energia correspondiente al Al{sub x} Ga{sub 1}-x As observamos una senal de FR ancha, tipica de un material altamente impurificado. Usando la teoria de la tercera derivada, obtuvimos el valor de la brecha de energia del Al{sub x}Ga{sub 1}-xAs, y de este valor la concentracion de Al en las muestras. Los resultados mostraron que la estructura con el valor de movilidad electronica mas alto tiene la intensidad de campo electrico interno mas baja.

The application of Near Infrared Reflectance Spectroscopy (NIRS for the quantitative analysis of hydrocortisone in primary materials

Directory of Open Access Journals (Sweden)

A. PITTAS

2001-03-01

Full Text Available Near Infrared Reflectance Spectroscopy (NIRS, coupled with fiber optic probes, has been shown to be a quick and reliable analytical tool for quality assurance and quality control in the pharmaceutical industry, both for verifications of raw materials and quantification of the active ingredients in final products. In this paper, a typical pharmaceutical product, hydrocortisone sodium succinate, is used as an example for the application of NIR spectroscopy for quality control. In order to develop an NIRS method with higher precision and accuracy than the official UV/VIS spectroscopic method (BP '99, 19 samples, taken from one year’s production and several prepared in the laboratory, having a hydrocortisone sodium succinate concentration in the range from 89.05%to 95.83 %, were analysed by NIR and UV/VIS spectroscopy. Three frequency ranges: 5939.73–5627.32 cm-1; 4863.64 – 4574.36 cm-1; 4308.23–4200.24 cm-1, with the best positive correlation between the changes in the spectral and concentration data, were chosen. The validity of the developed NIRS chemometric method for the determination of the hydrocortisone sodium succinate concentration, constructed by the partial least squares (PLS regression technique, is discussed. A correlation coefficient of 0.9758 and a standard error of cross validation (RMSECVof 1.06%were found between the UV/VI Sand òhe NIR spectroscopic results of the hydrocortisone sodium succinate concentration in the samples.

A noninvasive assessment of skin carotenoid status through reflection spectroscopy is a feasible and reliable measure of dietary carotenoid consumption in a diverse community sample

Science.gov (United States)

Background: Skin carotenoid status, as assessed by reflection spectroscopy (RS), is a promising means of approximating fruit and vegetable consumption. This study’s purpose was to assess the feasibility, reliability, and validity of RS to assess skin carotenoids in a racially diverse community sampl...

Near-field reflection backscattering apertureless optical microscopy: Application to spectroscopy experiments on opaque samples, comparison between lock-in and digital photon counting detection techniques

International Nuclear Information System (INIS)

Diziain, S.; Bijeon, J.-L.; Adam, P.-M.; Lamy de la Chapelle, M.; Thomas, B.; Deturche, R.; Royer, P.

2007-01-01

An apertureless scanning near-field optical microscope (ASNOM) in reflection backscattering configuration is designed to conduct spectroscopic experiments on opaque samples constituted of latex beads. The ASNOM proposed takes advantage of the depth-discrimination properties of confocal microscopes to efficiently extract the near-field optical signal. Given their importance in a spectroscopic experiment, we systematically compare the lock-in and synchronous photon counting detection methods. Some results of Rayleigh's scattering in the near field of the test samples are used to illustrate the possibilities of this technique for reflection backscattering spectroscopy

Near-field reflection backscattering apertureless optical microscopy: Application to spectroscopy experiments on opaque samples, comparison between lock-in and digital photon counting detection techniques

Energy Technology Data Exchange (ETDEWEB)

Diziain, S. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France); Bijeon, J.-L. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France)]. E-mail: bijeon@utt.fr; Adam, P.-M. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France); Lamy de la Chapelle, M. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France); Thomas, B. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France); Deturche, R. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France); Royer, P. [Institut Charles Delaunay, CNRS FRE 2848, Laboratoire de Nanotechnologie et d' Instrumentation Optique, Universite de technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex (France)

2007-01-15

An apertureless scanning near-field optical microscope (ASNOM) in reflection backscattering configuration is designed to conduct spectroscopic experiments on opaque samples constituted of latex beads. The ASNOM proposed takes advantage of the depth-discrimination properties of confocal microscopes to efficiently extract the near-field optical signal. Given their importance in a spectroscopic experiment, we systematically compare the lock-in and synchronous photon counting detection methods. Some results of Rayleigh's scattering in the near field of the test samples are used to illustrate the possibilities of this technique for reflection backscattering spectroscopy.

Transmission and reflection properties of terahertz fractal metamaterials

DEFF Research Database (Denmark)

Malureanu, Radu; Lavrinenko, Andrei; Cooke, David

2010-01-01

We use THz time-domain spectroscopy to investigate transmission and reflection properties of metallic fractal metamaterial structures. We observe loss of free-space energy at certain resonance frequencies, indicating excitation of surface modes of the metamaterial.......We use THz time-domain spectroscopy to investigate transmission and reflection properties of metallic fractal metamaterial structures. We observe loss of free-space energy at certain resonance frequencies, indicating excitation of surface modes of the metamaterial....

Reflectance spectroscopy of pigmented cutaneous benign and malignant lesions

Science.gov (United States)

Borisova, E.; Jeliazkova, Al.; Pavlova, E.; Troyanova, P.; Kundurdjiev, T.; Pavlova, P.; Avramov, L.

2014-10-01

For the DRS measurements of skin benign, dysplastic and malignant lesions in vivo we applied halogen lamp (LS-1, OceanOptics Inc, Dunedin, Fl, USA) as a continuous light source in the region of 400-900 nm, optical probe (6+1 fibers) for the delivery of illumination and diffuse reflected light from the skin investigated and microspectrometer USB4000 (OceanOptics Inc., Dunedin, Fl, USA) for a storage and display of the spectra detected. As a diffuse reflectance standard Spectralon® plate was used to calibrate the spectrometer. The reflectance spectra obtained from normal skin in identical anatomic sites of different patients have similar spectral shape features, slightly differ by the reflectance intensity at different wavelengths, depending on the particular patient' skin phototype. One could find diagnostically important spectral features, related to specific intensity changes for a given wavelength due to specific pigments appearance, slope changes by value and sign for the reflectance spectra curves in a specific spectral range, disappearance or manifestation of minima, related to hemoglobin absorption at 410-420 nm, 543, 575 nm. Based on the observed peculiarities multispectral analysis of the reflectance spectra of the different lesions was used and diagnostically specific features are found. Discrimination using the DRS data obtained between benign compound and dermal nevi (45 cases), dysplastic nevi (17 cases) and pigmented malignant melanoma (41 cases) lesions is achieved with a diagnostic accuracy of 96 % for the benign nevi vs. MM, and 90 % for the dysplastic nevi vs. MM.

Pressure-modulation dynamic attenuated-total-reflectance (ATR) FT-IR spectroscopy

Science.gov (United States)

Marcott, C.; Story, G. M.; Noda, I.; Bibby, A.; Manning, C. J.

1998-06-01

A single-reflectance attenuated-total-reflectance (ATR) accessory with a diamond internal-reflection element was modified by the addition of a piezoelectric transducer. Initial dynamic pressure-modulation experiments have been performed in the sample compartment of a step-scanning FT-IR spectrometer. A sinusoidal pressure modulation applied to samples of isotactic polypropylene and linear low density polyethylene resulted in dynamic responses which appear to be similar to those observed in previous dynamic 2D IR experiments. Preliminary pressure-modulation dynamic ATR results are also reported for a styrene-butadiene-styrene triblock copolymer. The new method has the advantages that a much wider variety of sample types and geometries can be studied and less sample preparation is required. Dynamic 2D IR experiments carried out by ATR no longer require thin films of large area and sufficient strength to withstand the dynamic strain applied by a rheometer. The ability to obtain dynamic IR spectroscopic information from a wider variety of sample types and thicknesses would greatly expand the amount of useful information that could be extracted from normally complicated, highly overlapped IR spectra.

A comparative study of the enhancement of molecular emission in a spatially confined plume through optical emission spectroscopy and probe beam deflection measurements

Energy Technology Data Exchange (ETDEWEB)

Ding, Dayu; Liang, Peipei; Wu, Jiada; Xu, Ning; Ying, Zhifeng; Sun, Jian, E-mail: jsun@fudan.edu.cn

2013-01-01

The spatial confinement effects of shock wave on the expansion of a carbon plume induced by pulsed laser ablation of graphite in air and the enhancement of the plume emission were studied by optical emission spectroscopy and probe beam deflection measurements. A metal disk was set in the way of the ablation-generated shock wave to block and reflect the supersonically propagating shock wave. The reflected shock wave propagated backwards and confined the expanding plume. The optical emission of CN molecules was enhanced in contrast to the case without the block disk and the emission enhancement was dependent on the position of the disk. Based on the results of time-integrated and -resolved optical emission spectroscopy, and the time- and space-resolved probe beam deflection measurements, the processes occurring in the plume were discussed and the mechanisms responsible for the enhancement of molecular emission in the spatially confined plume were investigated. - Highlights: ► Spatial confinement and optical emission enhancement of carbon plume were studied. ► Ablation-generated shockwave propagating in air was reflected by a block disk. ► The effects of reflected shockwave on the emission enhancement were confirmed. ► The reflect shockwave confined the carbon plume and enhanced the plume emission.

A comparative study of the enhancement of molecular emission in a spatially confined plume through optical emission spectroscopy and probe beam deflection measurements

International Nuclear Information System (INIS)

Ding, Dayu; Liang, Peipei; Wu, Jiada; Xu, Ning; Ying, Zhifeng; Sun, Jian

2013-01-01

The spatial confinement effects of shock wave on the expansion of a carbon plume induced by pulsed laser ablation of graphite in air and the enhancement of the plume emission were studied by optical emission spectroscopy and probe beam deflection measurements. A metal disk was set in the way of the ablation-generated shock wave to block and reflect the supersonically propagating shock wave. The reflected shock wave propagated backwards and confined the expanding plume. The optical emission of CN molecules was enhanced in contrast to the case without the block disk and the emission enhancement was dependent on the position of the disk. Based on the results of time-integrated and -resolved optical emission spectroscopy, and the time- and space-resolved probe beam deflection measurements, the processes occurring in the plume were discussed and the mechanisms responsible for the enhancement of molecular emission in the spatially confined plume were investigated. - Highlights: ► Spatial confinement and optical emission enhancement of carbon plume were studied. ► Ablation-generated shockwave propagating in air was reflected by a block disk. ► The effects of reflected shockwave on the emission enhancement were confirmed. ► The reflect shockwave confined the carbon plume and enhanced the plume emission

Use of polyurethane foam and 3-hydroxy-7,8-benzo-1,2,3,4-tetrahydroquinoline for determination of nitrite by diffuse reflectance spectroscopy and colorimetry.

Science.gov (United States)

Apyari, V V; Dmitrienko, S G; Ostrovskaya, V M; Anaev, E K; Zolotov, Y A

2008-07-01

Polyurethane foam (PUF) has been suggested as a solid polymeric reagent for determination of nitrite. The determination is based on the diazotization of end toluidine groups of PUF with nitrite in acidic medium followed by coupling of polymeric diazonium cation with 3-hydroxy-7,8-benzo-1,2,3,4-tetrahydroquinoline. The intensely colored polymeric azodye formed in this reaction can be used as a convenient analytic form for the determination of nitrite by diffuse reflectance spectroscopy (c (min) = 0.7 ng mL(-1)). The possibility of using a desktop scanner, digital camera, and computer data processing for the numerical evaluation of the color intensity of the polymeric azodye has been investigated. A scanner and digital camera can be used for determination of nitrite with the same sensitivity and reproducibility as with diffuse reflectance spectroscopy. The approach developed was applied for determination of nitrite in river water and human exhaled breath condensate.

Ultraviolet reflectance spectroscopy measurements of planetary materials and their analogs

Science.gov (United States)

Hibbitts, C.; Stockstill-Cahill, K.

2017-12-01

The compositions of airless solar system objects tell us about the origin and evolutionary processes that are responsible for the current state of our solar system and that shape our environment. Spacecraft have obtained UV reflectance measurements of the surfaces of Mercury, the Moon, asteroids, comets, icy satellites, and Pluto from which composition is being inferred. Most minerals absorb in the UV making studying surface composition both informative but also challenging [e.g. 1]. The UV region is sensitive to atomic and molecular electronic absorptions such as the ligand-metal charge transfer band that is present in oxides and silicates and the conduction band at vacuum UV wavelengths. Unfortunately, limited laboratory reflectance measurements in the ultraviolet hampers the interpretation of some of these planetary UV reflectance datasets. However, several laboratory efforts have been developed [e.g. 2,3] to fill the need for laboratory UV measurements. These are difficult measurements to make, being complicated by the absorptive nature of the atmosphere, requiring measurements to be conducted under vacuum or over very short path lengths of a N2-purged system. Also, the lack of a widely accepted UV diffuse reflectance standard is problematic. At the JHU-APL, bidirectional UV reflectance measurements are obtained under vacuum from 140 nm to 570 nm. Sample temperature can be controlled from 100K to 600K, which enables the study of the interaction of water ice and other volatiles with the refractory samples. Results from our laboratory research include the development of a correlation between the spectral nature of the OMCT band and the abundance of iron in low water content lunar analog glasses [3]. Also, the spectral signature of water in the UV has been investigated. While water-ice has a known strong absorption feature near 180 nm [e.g. 4], adsorbed molecular and disassociatively adsorbed OH apparently are not optically active in this spectral region [5]. We

The 129I hyperfine interaction in fatty acids studied by Moessbauer spectroscopy

International Nuclear Information System (INIS)

Burda, K.; Strzalka, K.; Stanek, J.

1993-01-01

Oleic acid substituted by iodine and saponified by Ca 2+ cations has been studied by 129 I Moessbauer spectroscopy. The quadrupole coupling constants and isomer shifts, determined from the γ-resonance spectra recorded at 4.2 K, have been described by 5p and 5s orbital populations of iodine. It was also found that saponification of the fatty acid has no significant influence on the measured iodine bonds. However, the increased order of fatty acids in soap form is reflected by narrowing of the resonant linewidth due to the reduction of the electric field gradient distribution. (orig.)

The FTIR study of uranium oxides by the method of light pipe reflection spectroscopy

International Nuclear Information System (INIS)

Bao Zhu Yu; Hansen, W.N.

1988-01-01

Light pipe infrared reflection spectra of UO 2 , UO 3 , U 3 O 8 have been studied by using an FTIR spectrometer. The uranium oxide powders were ground to ensure fine particle size and distributed on the inner surface of a straight glass pipe with gold coating. The infrared beam from the inter-ferometer was focused into one end of the pipe at 45 0 incidence and then the transmitted beam was refocused by a pair of Cassegrainian type mirrors. The resultant spectra show the infrared characteristics of the ...-U-O-U-O-..., uranyl ion UO 2 2+ bond vibration and the active lattice vibrations predicted by group theory calculations. In comparison to the transmission spectra measured by authors or reported in literature, this 45 0 incident light pipe method as well as the previous light pipe method offer advantages of sensitivity, ease of acquisition and interpretation, and require a very small sample. It confirms the power of the light pipe method for studying powders and its special utility for the infrared studies of hazardous materials. (Author)

In Situ Focused Beam Reflectance Measurement (FBRM, Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR and Raman Characterization of the Polymorphic Transformation of Carbamazepine

Directory of Open Access Journals (Sweden)

Sohrab Rohani

2012-02-01

Full Text Available The objective of this work was to study the polymorphic transformation of carbamazepine from Form II to Form III in 1-propanol during seeded isothermal batch crystallization. First, the pure Form II and Form III were obtained and characterized. Then their solubilities and metastable zone limits were measured by in-situ attenuated total reflectance Fourier transform infrared (ATR-FTIR spectroscopy and focused beam reflectance measurement (FBRM. A transition temperature at about 34.2 °C was deduced suggesting the enantiotropic nature of this compound over the studied temperature range. To quantify the polymorph ratio during the transformation process, a new in-situ quantitative method was developed to measure the fraction of Form II by Raman spectroscopy. Successful tracking of the nucleation of the stable form and the transformation from Form II to Form III during isothermal crystallization was achieved by Raman spectroscopy and FBRM. The results from these three in-situ techniques, FBRM, FTIR and Raman were consistent with each other. The results showed a strong dependency on the amount of seeds added during isothermal crystallization.

Studies of the Reflection, Refraction and Internal Reflection of Light

Science.gov (United States)

Lanchester, P. C.

2014-01-01

An inexpensive apparatus and associated experiments are described for studying the basic laws of reflection and refraction of light at an air-glass interface, and multiple internal reflections within a glass block. In order to motivate students and encourage their active participation, a novel technique is described for determining the refractive…

Multivariate analysis of nystatin and metronidazole in a semi-solid matrix by means of diffuse reflectance NIR spectroscopy and PLS regression.

Science.gov (United States)

Baratieri, Sabrina C; Barbosa, Juliana M; Freitas, Matheus P; Martins, José A

2006-01-23

A multivariate method of analysis of nystatin and metronidazole in a semi-solid matrix, based on diffuse reflectance NIR measurements and partial least squares regression, is reported. The product, a vaginal cream used in the antifungal and antibacterial treatment, is usually, quantitatively analyzed through microbiological tests (nystatin) and HPLC technique (metronidazole), according to pharmacopeial procedures. However, near infrared spectroscopy has demonstrated to be a valuable tool for content determination, given the rapidity and scope of the method. In the present study, it was successfully applied in the prediction of nystatin (even in low concentrations, ca. 0.3-0.4%, w/w, which is around 100,000 IU/5g) and metronidazole contents, as demonstrated by some figures of merit, namely linearity, precision (mean and repeatability) and accuracy.

Quantitative evaluation of multiple adulterants in roasted coffee by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and chemometrics.

Science.gov (United States)

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.

Blood hyperviscosity identification with reflective spectroscopy of tongue tip based on principal component analysis combining artificial neural network.

Science.gov (United States)

Liu, Ming; Zhao, Jing; Lu, XiaoZuo; Li, Gang; Wu, Taixia; Zhang, LiFu

2018-05-10

With spectral methods, noninvasive determination of blood hyperviscosity in vivo is very potential and meaningful in clinical diagnosis. In this study, 67 male subjects (41 health, and 26 hyperviscosity according to blood sample analysis results) participate. Reflectance spectra of subjects' tongue tips is measured, and a classification method bases on principal component analysis combined with artificial neural network model is built to identify hyperviscosity. Hold-out and Leave-one-out methods are used to avoid significant bias and lessen overfitting problem, which are widely accepted in the model validation. To measure the performance of the classification, sensitivity, specificity, accuracy and F-measure are calculated, respectively. The accuracies with 100 times Hold-out method and 67 times Leave-one-out method are 88.05% and 97.01%, respectively. Experimental results indicate that the built classification model has certain practical value and proves the feasibility of using spectroscopy to identify hyperviscosity by noninvasive determination.

Ultrafast pump-probe reflectance spectroscopy: Why sodium makes Cu(In,Ga)Se2 solar cells better

KAUST Repository

Eid, Jessica; Usman, Anwar; Gereige, Issam; Duren, Jeroen Van; Lyssenko, Vadim; Leo, Karl; Mohammed, Omar F.

2015-01-01

Although Cu(In,Ga)Se2 (CIGS) solar cells have the highest efficiency of any thin-film solar cell, especially when sodium is incorporated, the fundamental device properties of ultrafast carrier transport and recombination in such cells remain not fully understood. Here, we explore the dynamics of charge carriers in CIGS absorber layers with varying concentrations of Na by femtosecond (fs) broadband pump-probe reflectance spectroscopy with 120 fs time resolution. By analyzing the time-resolved transient spectra in a different time domain, we show that a small amount of Na integrated by NaF deposition on top of sputtered Cu(In,Ga) prior to selenization forms CIGS, which induces slower recombination of the excited carriers. Here, we provide direct evidence for the elongation of carrier lifetimes by incorporating Na into CIGS.

Ultrafast pump-probe reflectance spectroscopy: Why sodium makes Cu(In,Ga)Se2 solar cells better

KAUST Repository

Eid, Jessica

2015-04-14

Although Cu(In,Ga)Se2 (CIGS) solar cells have the highest efficiency of any thin-film solar cell, especially when sodium is incorporated, the fundamental device properties of ultrafast carrier transport and recombination in such cells remain not fully understood. Here, we explore the dynamics of charge carriers in CIGS absorber layers with varying concentrations of Na by femtosecond (fs) broadband pump-probe reflectance spectroscopy with 120 fs time resolution. By analyzing the time-resolved transient spectra in a different time domain, we show that a small amount of Na integrated by NaF deposition on top of sputtered Cu(In,Ga) prior to selenization forms CIGS, which induces slower recombination of the excited carriers. Here, we provide direct evidence for the elongation of carrier lifetimes by incorporating Na into CIGS.

Application of Solution NMR Spectroscopy to Study Protein Dynamics

Directory of Open Access Journals (Sweden)

Christoph Göbl

2012-03-01

Full Text Available Recent advances in spectroscopic methods allow the identification of minute fluctuations in a protein structure. These dynamic properties have been identified as keys to some biological processes. The consequences of this structural flexibility can be far‑reaching and they add a new dimension to the structure-function relationship of biomolecules. Nuclear Magnetic Resonance (NMR spectroscopy allows the study of structure as well as dynamics of biomolecules in a very broad range of timescales at atomic level. A number of new NMR methods have been developed recently to allow the measurements of time scales and spatial fluctuations, which in turn provide the thermodynamics associated with the biological processes. Since NMR parameters reflect ensemble measurements, structural ensemble approaches in analyzing NMR data have also been developed. These new methods in some instances can even highlight previously hidden conformational features of the biomolecules. In this review we describe several solution NMR methods to study protein dynamics and discuss their impact on important biological processes.

Study of clusters using negative ion photodetachment spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Zhao, Yuexing [Univ. of California, Berkeley, CA (United States)

1995-12-01

The weak van der Waals interaction between an open-shell halogen atom and a closed-shell atom or molecule has been investigated using zero electron kinetic energy (ZEKE) spectroscopy. This technique is also applied to study the low-lying electronic states in GaAs and GaAs^-. In addition, the spectroscopy and electron detachment dynamics of several small carbon cluster anions are studied using resonant multiphoton detachment spectroscopy.

Study of clusters using negative ion photodetachment spectroscopy

International Nuclear Information System (INIS)

Zhao, Yuexing.

1995-12-01

The weak van der Waals interaction between an open-shell halogen atom and a closed-shell atom or molecule has been investigated using zero electron kinetic energy (ZEKE) spectroscopy. This technique is also applied to study the low-lying electronic states in GaAs and GaAs - . In addition, the spectroscopy and electron detachment dynamics of several small carbon cluster anions are studied using resonant multiphoton detachment spectroscopy

Cryogenic Reflectance Spectroscopy in Support of Planetary Missions

Science.gov (United States)

Dalton, J. B.

2002-01-01

Present understanding of planetary composition is based primarily on remotely-sensed data, and in particular upon ultraviolet, visible, and infrared spectroscopy. Spectra acquired by telescopic and spacecraft instruments are compared to laboratory measurements of pure materials in order to identify surface components based on characteristic absorption features. Cryogenic spectral measurements are necessary for the study of worlds beyond the Earth's orbit. While some materials exhibit only small spectral changes as a function of temperature, many others are strongly temperature-dependent. For example, hydrated salts exhibit different spectral behavior under conditions appropriate to Europa than at terrestrial temperatures. The icy satellites of the outer solar system contain significant quantities of volatile ices which do not even exist at standard temperature and pressure (STP). A comprehensive spectral database of ices and minerals covering a wide temperature range will have applications ranging from the study of comets and Kuiper Belt objects to outer planet satellites and the polar regions of Mars. Efforts are presently underway at NASA-Ames to develop capabilities which will contribute to such a database. As spacecraft instruments feature increasing spatial and spectral resolution, appropriate laboratory reference spectra become increasingly critical to accurate interpretation of the spacecraft data.

Wavelength modulation spectroscopy of semiconductors

Energy Technology Data Exchange (ETDEWEB)

Kohn, S.E.

1977-10-01

The use of modulation spectroscopy to study the electronic properties of solids has been very productive. The construction of a wide range Wavelength Modulation Spectrometer to study the optical properties of solids is described in detail. Extensions of the working range of the spectrometer into the vacuum ultraviolet are discussed. Measurements of the reflectivity and derivative reflectivity spectra of the lead chalcogenides, the chalcopyrite ZnGeP/sub 2/, the layer compounds GaSe and GaS and their alloys, the ferroelectric SbSI, layer compounds SnS/sub 2/ and SnSe/sub 2/, and HfS/sub 2/ were made. The results of these measurements are presented along with their interpretation in terms of band structure calculations.

Suitability of faecal near-infrared reflectance spectroscopy (NIRS) predictions for estimating gross calorific value

Energy Technology Data Exchange (ETDEWEB)

De la Roza-Delgado, B.; Modroño, S.; Vicente, F.; Martínez-Fernández, A.; Soldado, A.

2015-07-01

A total of 220 faecal pig and poultry samples, collected from different experimental trials were employed with the aim to demonstrate the suitability of Near Infrared Reflectance Spectroscopy (NIRS) technology for estimation of gross calorific value on faeces as output products in energy balances studies. NIR spectra from dried and grounded faeces samples were analyzed using a Foss NIRSystem 6500 instrument, scanning over the wavelength range 400-2500 nm. Validation studies for quantitative analytical models were carried out to estimate the relevance of method performance associated to reference values to obtain an appropriate, accuracy and precision. The results for prediction of gross calorific value (GCV) of NIRS calibrations obtained for individual species showed high correlation coefficients comparing chemical analysis and NIRS predictions, ranged from 0.92 to 0.97 for poultry and pig. For external validation, the ratio between the standard error of cross validation (SECV) and the standard error of prediction (SEP) varied between 0.73 and 0.86 for poultry and pig respectively, indicating a sufficiently precision of calibrations. In addition a global model to estimate GCV in both species was developed and externally validated. It showed correlation coefficients of 0.99 for calibration, 0.98 for cross-validation and 0.97 for external validation. Finally, relative uncertainty was calculated for NIRS developed prediction models with the final value when applying individual NIRS species model of 1.3% and 1.5% for NIRS global prediction. This study suggests that NIRS is a suitable and accurate method for the determination of GCV in faeces, decreasing cost, timeless and for convenient handling of unpleasant samples.. (Author)

Spectroelectrochemical study of polyphenylene by in situ external reflection FT-IR spectroscopy. Pt. 2

International Nuclear Information System (INIS)

Kvarnstroem, C.; Ivaska, A.

1994-01-01

In situ external reflection FT-IR measurements are performed during cyclic voltammetric scans on electrochemically polymerized polyphenylene films. The films are polymerized either in 0.1 or 0.8 M biphenyl in 0.1 M TBABF 4 in acetonitrile. Changes in the IR spectrum of films of different thicknesses are studied when the films are potentially cycled from the neutral to the oxidized states of the polymer. No differences between films made in high or low dimer concentration can be observed in the spectra. The potential-dependent insertion and expulsion of solvent, residual water, anions and cations in and out of the film have different behaviour in films of different thicknesses. Changes in the structure of the segments in the film, from the benzenoid form into the quinoid form, can be followed. Differences between the first and subsequent cyclic potential scans are observed. (orig.)

Characterisation of InAs-based epilayers by FTIR spectroscopy

International Nuclear Information System (INIS)

Baisitse, T.R.; Forbes, A.; Katumba, G.; Botha, J.R.; Engelbrecht, J.A.A.

2008-01-01

In this paper, infrared reflectance spectroscopy was employed to extract information on the optical and electrical properties of metal organic vapour phase epitaxial (MOVPE) grown InAs and InAsSb epilayers. These epitaxial layers were grown on InAs and GaAs substrates and characterised by infrared reflectance spectroscopy and Hall measurements. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Attenuated total reflectance-FT-IR spectroscopy for gunshot residue analysis: potential for ammunition determination.

Science.gov (United States)

Bueno, Justin; Sikirzhytski, Vitali; Lednev, Igor K

2013-08-06

The ability to link a suspect to a particular shooting incident is a principal task for many forensic investigators. Here, we attempt to achieve this goal by analysis of gunshot residue (GSR) through the use of attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FT-IR) combined with statistical analysis. The firearm discharge process is analogous to a complex chemical process. Therefore, the products of this process (GSR) will vary based upon numerous factors, including the specific combination of the firearm and ammunition which was discharged. Differentiation of FT-IR data, collected from GSR particles originating from three different firearm-ammunition combinations (0.38 in., 0.40 in., and 9 mm calibers), was achieved using projection to latent structures discriminant analysis (PLS-DA). The technique was cross (leave-one-out), both internally and externally, validated. External validation was achieved via assignment (caliber identification) of unknown FT-IR spectra from unknown GSR particles. The results demonstrate great potential for ATR-FT-IR spectroscopic analysis of GSR for forensic purposes.

Laser spectroscopy of francium isotopes at the borders of the region of reflection asymmetry

CERN Document Server

Budinčević, I; Bissell, M L; Cocolios, T E; de Groote, R P; De Schepper, S; Fedosseev, V N; Flanagan, K T; Franchoo, S; Garcia Ruiz, R F; Heylen, H; Lynch, K M; Marsh, B A; Neyens, G; Procter, T J; Rossel, R E; Rothe, S; Strashnov, I; Stroke, H H; Wendt, K D A

2014-01-01

The magnetic dipole moments and changes in mean-square charge radii of the neutron-rich $^{218m,219,229,231}\\text{Fr}$ isotopes were measured with the newly-installed Collinear Resonance Ionization Spectroscopy (CRIS) beam line at ISOLDE, CERN, probing the $7s~^{2}S_{1/2}$ to $8p~^{2}P_{3/2}$ atomic transition. The $\\delta\\langle r^{2}\\rangle^{A,221}$ values for $^{218m,219}\\text{Fr}$ and $^{229,231}\\text{Fr}$ follow the observed increasing slope of the charge radii beyond $N~=~126$. The charge radii odd-even staggering in this neutron-rich region is discussed, showing that $^{220}\\text{Fr}$ has a weakly inverted odd-even staggering while $^{228}\\text{Fr}$ has normal staggering. This suggests that both isotopes reside at the borders of a region of inverted staggering, which has been associated with reflection-asymmetric shapes. The $g(^{219}\\text{Fr}) = +0.69(1)$ value supports a $\\pi 1h_{9/2}$ shell model configuration for the ground state. The $g(^{229,231}\\text{Fr})$ values support the tentative $I^{\\pi}(^...

Layered magnets: polarized neutron reflection studies

Energy Technology Data Exchange (ETDEWEB)

Zabel, H; Schreyer, A [Ruhr-Univ. Bochum, Lehrstuhl fuer Experimentalphysik/Festkoerperphysik, Bochum (Germany)

1996-11-01

Neutron reflectivity measurements from extended surfaces, thin films and superlattices provide information on the chemical profile parallel to the film normal, including film thicknesses, average composition and interfacial roughness parameters. Reflectivity measurements with polarized neutrons are particularly powerful for analyzing the magnetic density profiles in thin films and superlattices in addition to chemical profiles. The basic theory of polarized neutron reflectivity is provided, followed by some examples and more recent applications concerning polarized neutron reflectivity studies from exchange coupled Fe/Cr superlattices. (author) 5 figs., 13 refs.

Total reflection x-ray fluorescence spectroscopy as a tool for evaluation of iron concentration in ferrofluids and yeast samples

Energy Technology Data Exchange (ETDEWEB)

Kulesh, N.A., E-mail: nikita.kulesh@urfu.ru [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Novoselova, I.P. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Immanuel Kant Baltic Federal University, 236041 Kaliningrad (Russian Federation); Safronov, A.P. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Institute of Electrophysics UD RAS, Amundsen 106, 620016 Ekaterinburg (Russian Federation); Beketov, I.V.; Samatov, O.M. [Institute of Electrophysics UD RAS, Amundsen 106, 620016 Ekaterinburg (Russian Federation); Kurlyandskaya, G.V. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); University of the Basque Country UPV-EHU, 48940 Leioa (Spain); Morozova, M. [Ural Federal University, Mira 19, 620002 Ekaterinburg (Russian Federation); Denisova, T.P. [Irkutsk State University, Karl Marks 1, 664003 Irkutsk (Russian Federation)

2016-10-01

In this study, total reflection x-ray fluorescent (TXRF) spectrometry was applied for the evaluation of iron concentration in ferrofluids and biological samples containing iron oxide magnetic nanoparticles obtained by the laser target evaporation technique. Suspensions of maghemite nanoparticles of different concentrations were used to estimate the limitation of the method for the evaluation of nanoparticle concentration in the range of 1–5000 ppm in absence of organic matrix. Samples of single-cell yeasts grown in the nutrient media containing maghemite nanoparticles were used to study the nanoparticle absorption mechanism. The obtained results were analyzed in terms of applicability of TXRF for quantitative analysis in a wide range of iron oxide nanoparticle concentrations for biological samples and ferrofluids with a simple established protocol of specimen preparation. - Highlights: • Ferrofluids and yeasts samples were analysed by TXRF spectroscopy. • Simple protocol for iron quantification by means of TXRF was proposed. • Results were combined with magnetic, structural, and morphological characterization. • Preliminary conclusion on nanoparticles uptake mechanism was made.

Total reflection x-ray fluorescence spectroscopy as a tool for evaluation of iron concentration in ferrofluids and yeast samples

International Nuclear Information System (INIS)

Kulesh, N.A.; Novoselova, I.P.; Safronov, A.P.; Beketov, I.V.; Samatov, O.M.; Kurlyandskaya, G.V.; Morozova, M.; Denisova, T.P.

2016-01-01

In this study, total reflection x-ray fluorescent (TXRF) spectrometry was applied for the evaluation of iron concentration in ferrofluids and biological samples containing iron oxide magnetic nanoparticles obtained by the laser target evaporation technique. Suspensions of maghemite nanoparticles of different concentrations were used to estimate the limitation of the method for the evaluation of nanoparticle concentration in the range of 1–5000 ppm in absence of organic matrix. Samples of single-cell yeasts grown in the nutrient media containing maghemite nanoparticles were used to study the nanoparticle absorption mechanism. The obtained results were analyzed in terms of applicability of TXRF for quantitative analysis in a wide range of iron oxide nanoparticle concentrations for biological samples and ferrofluids with a simple established protocol of specimen preparation. - Highlights: • Ferrofluids and yeasts samples were analysed by TXRF spectroscopy. • Simple protocol for iron quantification by means of TXRF was proposed. • Results were combined with magnetic, structural, and morphological characterization. • Preliminary conclusion on nanoparticles uptake mechanism was made.

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).

Science.gov (United States)

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.

Investigating murals with terahertz reflective tomography

Science.gov (United States)

Yuan, Minjie; Sun, Wenfeng; Wang, Xinke; Wang, Sen; Zhang, Qunxi; Ye, Jiasheng; Zhang, Yan

2015-08-01

Terahertz time-domain spectroscopy (THz-TDS) imaging technology has been proposed to be used in the non-invasive detection of murals. THz-TDS images provide structural data of the sample that cannot be obtained with other complementary techniques. In this paper, two types of defects hidden in the plaster used to simulate the cases of defects in the murals, have been investigated by the terahertz reflected time domain spectroscopy imaging system. These preset defects include a leaf slice and a slit built in the plaster. With the terahertz reflective tomography, information about defects has been determined involving the thickness from the surface of sample to the built-in defect, the profile and distribution of the defect. With this THz tomography, different defects with the changes of optical thickness and their relative refractive index have been identified. The application of reflective pulsed terahertz imaging has been extended to the defect detection of the murals.

Analysis of ewe’s milk by FT Near Infrared spectroscopy: measurement of samples on Petri dishes in reflectance mode

Directory of Open Access Journals (Sweden)

Květoslava Šustová

2006-01-01

Full Text Available Our work deals with a possibility of determination of basic composition (dry matter, fat, protein, casein, lactose and urea nitrogen of ewe’s milk and colostrum by FT NIR spectroscopy. Samples of milk were warmed to 40 °C, agitated, cooled to 20 °C, transferred into Petri dishes and analysed by reference methods and by FT NIR in reflectance mode. The measured area was spaced by a metallic mirror. Statistically significant differences between the reference values and the calculated values of NIR were not found (p=0.05. Results of calibration for ewe’s milk determined the highest correlation coefficients: dry matter 0.983, fat 0.989, true protein 0.997, casein 0.977, lactose 0.980 and urea nitrogen 0.973. The study showed that NIRS method, when samples of milk are measured on Petri dishes, is a useful technique for the prediction of dry matter, fat, protein and casein in ewe’s milk.

Spectroelectrochemical study of polyphenylene by in situ external reflection FT-IR spectroscopy. Pt. 1

International Nuclear Information System (INIS)

Kvarnstroem, C.; Ivaska, A.

1994-01-01

In situ spectroelectrochemical measurements with external reflection FT-IR are performed at different stages of polymerization of 0.05, 0.1 and 0.8 M biphenyl in 0.1 M TBABF 4 in acetonitrile. The biphenyl concentration is not found to have any effect on the structure of the polymer formed. Formation of oligomers and the ratio of ortho/para-substituted polymer chains during film growth are studied. The first coupling of dimers to oligomers is found to take place in the vicinity of the electrode surface and at a later stage of polymerization the oligomers start to form polymer film on the electrode. A mixed para and ortho coupling resulting in crosslinking between chains is observed already at the early stage of polymerization. However, when a lower current density is used a more ordered polymer structure is obtained. A breakdown of the polymer film due to overoxidation can be seen when the potential is increased to 2.0 V. (orig.)

Fourier Transform Infrared Spectroscopy Part III. Applications.

Science.gov (United States)

Perkins, W. D.

1987-01-01

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

Two gap superconductivity in Ba{sub 0.55}K{sub 0.45}Fe{sub 2}As{sub 2} single crystals studied by the directional point-contact Andreev reflection spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Szabo, P.; Pribulova, Z. [Centre of Low Temperature Physics, IEP Slovak Academy of Sciences and P.J.Safarik University, Watsonova 47, SK-04001 Kosice (Slovakia); Pristas, G.; Bud' ko, S.L.; Canfield, P.C. [Ames Laboratory and Iowa State University, Ames, IA 50011 (United States); Samuely, P., E-mail: samuely@saske.s [Centre of Low Temperature Physics, IEP Slovak Academy of Sciences and P.J.Safarik University, Watsonova 47, SK-04001 Kosice (Slovakia)

2009-10-15

First directional point-contact Andreev reflection spectroscopy on the Ba{sub 0.55}K{sub 0.45}Fe{sub 2}As{sub 2} single crystals is presented. The spectra show significant differences when measured in the ab plane in comparison with those measured in the c direction. In the latter case no traces of superconducting energy gap could be found, just a reduced point-contact conductance persisting up to about 100 K and indicating reduced density of states. On the other hand within the ab plane two nodeless superconducting energy gaps DELTA{sub S}approx2-5 meV and DELTA{sub L}approx9-11 meV are detected.

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

Science.gov (United States)

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

Fuji apple storage time rapid determination method using Vis/NIR spectroscopy

Science.gov (United States)

Liu, Fuqi; Tang, Xuxiang

2015-01-01

Fuji apple storage time rapid determination method using visible/near-infrared (Vis/NIR) spectroscopy was studied in this paper. Vis/NIR diffuse reflection spectroscopy responses to samples were measured for 6 days. Spectroscopy data were processed by stochastic resonance (SR). Principal component analysis (PCA) was utilized to analyze original spectroscopy data and SNR eigen value. Results demonstrated that PCA could not totally discriminate Fuji apples using original spectroscopy data. Signal-to-noise ratio (SNR) spectrum clearly classified all apple samples. PCA using SNR spectrum successfully discriminated apple samples. Therefore, Vis/NIR spectroscopy was effective for Fuji apple storage time rapid discrimination. The proposed method is also promising in condition safety control and management for food and environmental laboratories. PMID:25874818

Advantages of infrared transflection micro spectroscopy and paraffin-embedded sample preparation for biological studies

Science.gov (United States)

Yao, Jie; Li, Qian; Zhou, Bo; Wang, Dan; Wu, Rie

2018-04-01

Fourier-Transform Infrared micro-spectroscopy is an excellent method for biological analyses. In this paper, series metal coating films on ITO glass were prepared by the electrochemical method and the different thicknesses of paraffin embedding rat's brain tissue on the substrates were studied by IR micro-spetroscopy in attenuated total reflection (ATR) mode and transflection mode respectively. The Co-Ni-Cu alloy coating film with low cost is good reflection substrates for the IR analysis. The infrared microscopic transflection mode needs not to touch the sample at all and can get the IR spectra with higher signal to noise ratios. The Paraffin-embedding method allows tissues to be stored for a long time for re-analysis to ensure the traceability of the sample. Also it isolates the sample from the metal and avoids the interaction of biological tissue with the metals. The best thickness of the tissues is 4 μm.

Study of carbonate concretions using imaging spectroscopy in the Frontier Formation, Wyoming

Science.gov (United States)

de Linaje, Virginia Alonso; Khan, Shuhab D.; Bhattacharya, Janok

2018-04-01

Imaging spectroscopy is applied to study diagenetic processes of the Wall Creek Member of the Cretaceous Frontier Formation, Wyoming. Visible Near-Infrared and Shortwave-Infrared hyperspectral cameras were used to scan near vertical and well-exposed outcrop walls to analyze lateral and vertical geochemical variations. Reflectance spectra were analyzed and compared with high-resolution laboratory spectral and hyperspectral imaging data. Spectral Angle Mapper (SAM) and Mixture Tuned Matched Filtering (MTMF) classification algorithms were applied to quantify facies and mineral abundances in the Frontier Formation. MTMF is the most effective and reliable technique when studying spectrally similar materials. Classification results show that calcite cement in concretions associated with the channel facies is homogeneously distributed, whereas the bar facies was shown to be interbedded with layers of non-calcite-cemented sandstone.

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

Science.gov (United States)

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.

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

Science.gov (United States)

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.

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

Science.gov (United States)

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.

Quantitative determination of iron, copper, lead, chromium and nickel in electronic waste samples using total reflection x-ray fluorescence spectroscopy

International Nuclear Information System (INIS)

Elaseer, A. S.; Musbah, A. S; Ammar, M. M. G.; Salah, M. A.; Aisha, E. A.

2015-01-01

Total reflection x-ray fluorescence spectroscopy in conjunction with microwave assisted extraction technique was used for the analysis of twenty electronic waste samples. The analysis was limited to the printed circuit boards of electronic devices. Iron, copper, lead, chromium and nickel were quantitatively determined in the samples. The samples were carefully milled to fine powder and 50mg was digested by acid using microwave digestion procedure. The digested samples solution was spread together with gallium as internal standard on the reflection disk and analyzed. The results showed that the cassette recorder boards contain the highest concentration of iron, lead and nickel. The average concentrations of these metals were 78, 73 and 71g/Kg respectively. Computer boards contained the highest copper average concentration 39g/Kg. the highest chromium average concentration 3.6 g/Kg was in mobile phone boards. Measurements were made using PicoTAX portable x-ray device. the instrument was used for quantitative multi-element analysis. An air cooled x-ray tube (40KV, 1 mA) with Mo target and Be window was used as x-ray source. The optics of the device was a multilayer Ni/C, 17.5 keV, 80% reflectivity provides analysis of elements from Si to Zr (K series) and Rh to U (L series). A Si PIN-diode detector (7mm"2, 195eV) was used for the elements detection. In this study heavy metals average concentration in electronic circuit boards in the in the order of iron (35.25g/kg), copper (21.14g/Kg), lead (16.59g/Kg), nickel (16.01g/Kg) and chromium (1.07g/Kg).(author)

[Studies on the brand traceability of milk powder based on NIR spectroscopy technology].

Science.gov (United States)

Guan, Xiao; Gu, Fang-Qing; Liu, Jing; Yang, Yong-Jian

2013-10-01

Brand traceability of several different kinds of milk powder was studied by combining near infrared spectroscopy diffuse reflectance mode with soft independent modeling of class analogy (SIMCA) in the present paper. The near infrared spectrum of 138 samples, including 54 Guangming milk powder samples, 43 Netherlands samples, and 33 Nestle samples and 8 Yili samples, were collected. After pretreatment of full spectrum data variables in training set, principal component analysis was performed, and the contribution rate of the cumulative variance of the first three principal components was about 99.07%. Milk powder principal component regression model based on SIMCA was established, and used to classify the milk powder samples in prediction sets. The results showed that the recognition rate of Guangming milk powder, Netherlands milk powder and Nestle milk powder was 78%, 75% and 100%, the rejection rate was 100%, 87%, and 88%, respectively. Therefore, the near infrared spectroscopy combined with SIMCA model can classify milk powder with high accuracy, and is a promising identification method of milk powder variety.

Rapid, specific determination of iodine and iodide by combined solid-phase extraction/diffuse reflectance spectroscopy

Science.gov (United States)

Arena, Matteo P.; Porter, Marc D.; Fritz, James S.

2002-01-01

A new, rapid methodology for trace analysis using solid-phase extraction is described. The two-step methodology is based on the concentration of an analyte onto a membrane disk and on the determination by diffuse reflectance spectroscopy of the amount of analyte extracted on the disk surface. This method, which is adaptable to a wide range of analytes, has been used for monitoring ppm levels of iodine and iodide in spacecraft water. Iodine is used as a biocide in spacecraft water. For these determinations, a water sample is passed through a membrane disk by means of a 10-mL syringe that is attached to a disk holder assembly. The disk, which is a polystyrene-divinylbenzene composite, is impregnated with poly(vinylpyrrolidone) (PVP), which exhaustively concentrates iodine as a yellow iodine-PVP complex. The amount of concentrated iodine is then determined in only 2 s by using a hand-held diffuse reflectance spectrometer by comparing the result with a calibration curve based on the Kubelka-Munk function. The same general procedure can be used to determine iodide levels after its facile and exhaustive oxidation to iodine by peroxymonosulfate (i.e., Oxone reagent). For samples containing both analytes, a two-step procedure can be used in which the iodide concentration is calculated from the difference in iodine levels before and after treatment of the sample with peroxymonosulfate. With this methodology, iodine and iodide levels in the 0.1-5.0 ppm range can be determined with a total workup time of approximately 60 s with a RSD of approximately 6%.

Plasma surface reflectance spectroscopy for non-invasive and continuous monitoring of extracellular component of blood

Science.gov (United States)

Sakota, Daisuke; Takatani, Setsuo

2012-04-01

To achieve the quantitative optical non-invasive diagnosis of blood during extracorporeal circulation therapies, the instrumental technique to extract extracellular spectra from whole blood was developed. In the circuit, the continuous blood flow was generated by a centrifugal blood pump. The oxygen saturation was maintained 100% by an oxygenator. The developed glass optical flow cell was attached to the outlet tubing of the oxygenator. The halogen lamp including the light from 400 to 900 nm wavelength was used for the light source. The light was guided into an optical fiber. The light emitted by the fiber was collimated and emitted to the flow cell flat surface at the incident angle of 45 degrees. The light just reflected on the boundary between inner surface of the flow cell and plasma at 45 degrees was detected by the detection fiber. The detected light was analyzed by a spectral photometer. The obtained spectrum from 400 to 600nm wavelength was not changed with respect to the hematocrit. In contrast, the signal in the spectral range was changed when the plasma free hemoglobin increased. By using two spectral range, 505+/-5 nm and 542.5+/-2.5 nm, the differential spectrum was correlated with the free hemoglobin at R2=0.99. On the other hand, as for the hematocrit, the differential spectrum was not correlated at R2=0.01. Finally, the plasma free hemoglobin was quantified with the accuracy of 22+/-19mg/dL. The result shows that the developed plasma surface reflectance spectroscopy (PSRS) can extract the plasma spectrum from flowing whole blood.

Exploiting Optical Contrasts for Cervical Precancer Diagnosis via Diffuse Reflectance Spectroscopy

Science.gov (United States)

Chang, Vivide Tuan-Chyan

collagen without altering the amount of collagen present. Further work would be required to elucidate the exact sources of scattering contrast observed. Common confounding variables that limit the accuracy and clinical acceptability of optical spectroscopic systems are calibration requirements and variable probe-tissue contact pressures. Our results suggest that using a real-time self-calibration channel, as opposed to conventional post-experiment diffuse reflectance standard calibration measurements, significantly improved data integrity for the extraction of scattering contrast. Extracted [total Hb] and scattering were also significantly associated with applied contact probe pressure in colposcopically normal sites. Hence, future contact probe spectroscopy or imaging systems should incorporate a self-calibration channel and ensure spectral acquisition at a consistent contact pressure to collect reliable data with enhanced absorption and scattering contrasts. Another method to enhance optical contrast is to selectively interrogate different depths in the dysplastic cervix. For instance, scattering has been shown to increase in the epithelium (increase in nuclear-to-cytoplasmic ratio) while decrease in the stroma (re-organization of the extra-cellular matrix and changes in of collagen fiber cross-links). A fiber-optic probe with 45° illumination and collection fibers with a separation distance of 330 μm was designed and constructed to selectively interrogate the cervical epithelium. Mean extraction errors from liquid phantoms with optical properties mimicking the cervical epithelium for μa and μs' were 11.3 % and 12.7 %, respectively. Diffuse reflectance spectra from 9 sites in four loop electrosurgical excision procedure (LEEP) patients were analyzed. Preliminary data demonstrate the utility of the oblique fiber geometry in extracting scattering contrast in the cervical epithelium. Further work is needed to study the systematic error in optical property extraction and

Bacterial and abiotic decay in waterlogged archaeological Picea abies (L.) Karst studied by confocal Raman imaging and ATR-FTIR spectroscopy

DEFF Research Database (Denmark)

Pedersen, Nanna Bjerregaard; Gierlinger, Notburga; Thygesen, Lisbeth Garbrecht

2015-01-01

Waterlogged archaeological Norway spruce [Picea abies (L.) Karst] poles were studied by means of confocal Raman imaging (CRI) and attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) analysis to determine lignin and polysaccharide composition and distribution in the cell......, and minor oxidation of the lignin polymer compared to recent reference material. This is evidence for abiotic decay in the course of waterlogging....

[In situ diffuse reflectance FTIR spectroscopy study of CO adsorption on Ni2P/mesoporous molecule sieve catalysts].

Science.gov (United States)

Liu, Qian-qian; Ji, Sheng-fu; Wu, Ping-yi; Hu, Lin-hua; Huang, Xiao-fan; Zhu, Ji-qin; Li, Cheng-yue

2009-05-01

Abstract The supported nickel phosphate precursors were prepared by incipient wetness impregnation using nickel nitrate as nickel source, diammonium hydrogen phosphate as phosphorus source, and MCM-41, MCM-48, SBA-15 and SBA-16 as supports, respectively. Then, the supported Ni2 P catalysts were prepared by temperature-programmed reduction in flowing Hz from their nickel phosphate precursors. The in situ diffuse reflectance FTIR spectroscopy (DRIFTS) analysis with the probe molecule CO was carried out to characterize the surface properties. The results indicated that there were significant differences in the spectral features of the samples. The upsilon(CO) absorbances observed for adsorbed CO on mesoporous molecule sieve was attributed to weak physical adsorption. There are four different kinds of upsilon(CO) absorbances observed for adsorbed CO on Ni2 P/MCM-41 catalyst with the following assignments: (1) the formation of Ni(CO)4 at 2055 cm(-1). (2) CO terminally bonded to cus Ni(delta+) (0

Reflectance spectrometry of normal and bruised human skins: experiments and modeling

International Nuclear Information System (INIS)

Kim, Oleg; Alber, Mark; McMurdy, John; Lines, Collin; Crawford, Gregory; Duffy, Susan

2012-01-01

A stochastic photon transport model in multilayer skin tissue combined with reflectance spectroscopy measurements is used to study normal and bruised skins. The model is shown to provide a very good approximation to both normal and bruised real skin tissues by comparing experimental and simulated reflectance spectra. The sensitivity analysis of the skin reflectance spectrum to variations of skin layer thicknesses, blood oxygenation parameter and concentrations of main chromophores is performed to optimize model parameters. The reflectance spectrum of a developed bruise in a healthy adult is simulated, and the concentrations of bilirubin, blood volume fraction and blood oxygenation parameter are determined for different times as the bruise progresses. It is shown that bilirubin and blood volume fraction reach their peak values at 80 and 55 h after contusion, respectively, and the oxygenation parameter is lower than its normal value during 80 h after contusion occurred. The obtained time correlations of chromophore concentrations in developing contusions are shown to be consistent with previous studies. The developed model uses a detailed seven-layer skin approximation for contusion and allows one to obtain more biologically relevant results than those obtained with previous models using one- to three-layer skin approximations. A combination of modeling with spectroscopy measurements provides a new tool for detailed biomedical studies of human skin tissue and for age determination of contusions. (paper)

Process analytical technology (PAT) in insect and mammalian cell culture processes: dielectric spectroscopy and focused beam reflectance measurement (FBRM).

Science.gov (United States)

Druzinec, Damir; Weiss, Katja; Elseberg, Christiane; Salzig, Denise; Kraume, Matthias; Pörtner, Ralf; Czermak, Peter

2014-01-01

Modern bioprocesses demand for a careful definition of the critical process parameters (CPPs) already during the early stages of process development in order to ensure high-quality products and satisfactory yields. In this context, online monitoring tools can be applied to recognize unfavorable changes of CPPs during the production processes and to allow for early interventions in order to prevent losses of production batches due to quality issues. Process analytical technologies such as the dielectric spectroscopy or focused beam reflectance measurement (FBRM) are possible online monitoring tools, which can be applied to monitor cell growth as well as morphological changes. Since the dielectric spectroscopy only captures cells with intact cell membranes, even information about dead cells with ruptured or leaking cell membranes can be derived. The following chapter describes the application of dielectric spectroscopy on various virus-infected and non-infected cell lines with respect to adherent as well as suspension cultures in common stirred tank reactors. The adherent mammalian cell lines Vero (African green monkey kidney cells) and hMSC-TERT (telomerase-immortalized human mesenchymal stem cells) are thereby cultured on microcarrier, which provide the required growth surface and allow the cultivation of these cells even in dynamic culture systems. In turn, the insect-derived cell lines S2 and Sf21 are used as examples for cells typically cultured in suspension. Moreover, the FBRM technology as a further monitoring tool for cell culture applications has been included in this chapter using the example of Drosophila S2 insect cells.

FTIR spectroscopy and reflectance of modern charcoals and fungal decayed woods: implications for studies of inertinite in coals

Energy Technology Data Exchange (ETDEWEB)

Guo, Y.; Bustin, R.M. [University of British Columbia, Vancouver, BC (Canada). Dept. of Earth and Ocean Sciences

1998-09-01

The chemical and physical characteristics of laboratory produced charcoals, natural charcoals, fungal decayed woods and inertinite from a variety of Western Canadian coals were investigated using FTIR and standard petrologic techniques. The studies confirm and extend earlier work in showing that almost all inertinite macerals can be attributed to wildfire in peat swamps, and that variation in the petrological characteristics of inertinite are a product of temperature, duration of heating and the nature of the initial plant material. The relationships between reflectance and temperature, as well as heating duration of charcoal formation are established as a reference for the examination of inertinite, and the probable temperature of inertinite precursor (fossil charcoal) formation in paleo-widlfire. Fungi do not directly contribute to the formation of charcoal and inertinite apart from the fungal bodies themselves (funginite: sclerotia and hyphae) and perhaps by increasing the extent of shrinkage and cracking (increasing surface area) of the plant materials and thus susceptibility to charring. Evidence of fungal activity progressively decreases with increasing degree of charing in response to duration of heating or increased charing temperature. The reflectance values and FTIR spectral characteristics of inertinites in Western Canadian coal suggest that most inertinite formed by wildfires at temperatures over 400{degree}C. The great abundance of semifusinite in Western Canadian coal may reflect frequent but short duration wildfires in precursor peat swamps. 44 refs., 16 figs., 6 tabs.

The electrochemical oxidation of sulfite on gold: UV-Vis reflectance spectroscopy at a rotating disk electrode

International Nuclear Information System (INIS)

Tolmachev, Yuriy V.; Scherson, Daniel A.

2004-01-01

Certain aspects of the electrochemical oxidation of sulfite in buffered, mildly acidic aqueous solutions (pH 5.23) have been examined using in situ near normal incidence UV-Vis reflectance spectroscopy (NNI-UVRS) at a Au rotating disk electrode (RDE). The dependence of the limiting current, i lim , on the rotation rate of the RDE was found to display classical Levich behavior up to potentials well within the range in which Au forms a surface oxide in the neat (sulfite-free) supporting electrolyte. However, simultaneous in situ NNI-UVRS measurements performed at λ=500 nm during sulfite oxidation failed to show any evidence for the presence of oxide on the Au surface within that entire potential range. Polarization of the Au RDE at more positive potentials led to a sudden drop in i lim , ca. an order of magnitude, which correlated with an abrupt decrease in the intensity of the reflected light, consistent with formation of (one or more forms of) Au oxide on the surface. On the basis of these and other observations a model has been proposed in which sulfite reacts chemically with adsorbed oxygen on the surface (oxygen atom transfer) in the region that precedes partial inhibition. As the potential is increased, adsorbed oxygen undergoes Au-O place exchange forming two-dimensional nuclei on the surface, which undergo rapid (autocatalytic) growth, covering an area large enough to block significantly sulfite oxidation

Spectroscopy and DFT studies of uranyl carbonate, rutherfordine, UO2CO3: a model for uranium transport, carbon dioxide sequestration, and seawater species

Science.gov (United States)

Kalashnyk, N.; Perry, D. L.; Massuyeau, F.; Faulques, E.

2017-12-01

Several optical microprobe experiments of the anhydrous uranium carbonate—rutherfordine—are presented in this work and compared to periodic density functional theory results. Rutherfordine is the simplest uranyl carbonate and constitutes an ideal model system for the study of the rich uranium carbonate family relevant for environmental sustainability. Micro-Raman, micro-reflectance, and micro-photoluminescence (PL) spectroscopy studies have been carried out in situ on native, micrometer-sized crystals. The sensitivity of these techniques is sufficient to analyze minute amounts of samples in natural environments without using x-ray analysis. In addition, very intense micro-PL and micro-reflectance spectra that were not reported before add new results on the ground and excited states of this mineral. The optical gap value determined experimentally is found at about 2.6-2.8 eV. Optimized geometry, band structure, and phonon spectra have been calculated. The main vibrational lines are identified and predicted by this theoretical study. This work is pertinent for optical spectroscopy, for identification of uranyl species in various environmental settings, and for nuclear forensic analysis.

Raman and IR-ATR spectroscopy studies of heteroepitaxial structures with a GaN:C top layer

Science.gov (United States)

Cerqueira, M. F.; Vieira, L. G.; Alves, A.; Correia, R.; Huber, M.; Andreev, A.; Bonanni, A.; Vasilevskiy, M. I.

2017-09-01

This work, motivated by the technologically important task of determination of carbon dopant location in the GaN crystal lattice, employed Raman spectroscopy, with both resonant and non-resonant excitation, and infrared (IR) spectroscopy, in the attenuated total reflection (ATR) configuration, to study lattice vibration modes in a set of carbon-doped GaN (GaN:C) epilayers grown by metalorganic vapour phase epitaxy. We analyse Raman and IR-ATR spectra from the point of view of possible effects of the carbon doping, namely: (i) local vibration mode of C atoms in the nitrogen sublattice (whose frequency we theoretically estimate as 768 cm-1 using an isotope defect model), and (ii) shift in the positions of longitudinal modes owing to the phonon-plasmon coupling. We find only indirect hints of the doping effect on the resonant Raman spectra. However, we show theoretically and confirm experimentally that the IR-ATR spectroscopy can be a much more sensitive tool for this purpose, at least for the considered structures. A weak perturbation of the dielectric function of GaN:C, caused by the substitutional carbon impurity, is shown to produce a measurable dip in the ATR reflectivity spectra at  ≈770 cm-1 for both p- and s-polarizations. Moreover, it influences a specific (guided-wave type) mode observed at  ≈737 cm-1, originating from the GaN layer, which appears in the narrow frequency window where the real parts of the two components of the dielectric tensor of the hexagonal crystal have opposite signs. This interpretation is supported by our modelling of the whole multilayer structure, using a transfer matrix formalism.

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

Science.gov (United States)

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

Semiconductor Nonlinear Dynamics Study by Broadband Terahertz Spectroscopy

Science.gov (United States)

Ho, I.-Chen

, electron intervalley scattering and impact ionization of InAs crystals, are observed under the excitation of intense THz field on a sub-picosecond time scale. These two competing mechanisms are demonstrated by changing the impurity doping type of the semiconductors and varying the strength of the THz field. Another investigation of nonlinear carrier dynamics is the observation of coherent polaron oscillation in n-doped semiconductors excited by intense THz pulses. Through modulations of surface reflection with a THz pump/THz probe technique, this work experimentally verifies the interaction between energetic electrons and a phonon field, which has been theoretically predicted by previous publications, and shows that this interaction applies for the acoustic phonon modes. Usually, two transverse acoustic (2TA) phonon responses are inactive in infrared measurement, while they are detectable in second-order Raman spectroscopy. The study of polaron dynamics, with nonlinear THz spectroscopy (in the far-infrared range), provides a unique method to diagnose the overtones of 2TA phonon responses of semiconductors, and therefore incorporates the abilities of both infrared and Raman spectroscopy. This work presents a new milestone in wave-matter interaction and seeks to benefit the industrial applications in high power, small scale devices.

Precise in situ etch depth control of multilayered III−V semiconductor samples with reflectance anisotropy spectroscopy (RAS equipment

Directory of Open Access Journals (Sweden)

Ann-Kathrin Kleinschmidt

2016-11-01

Full Text Available Reflectance anisotropy spectroscopy (RAS equipment is applied to monitor dry-etch processes (here specifically reactive ion etching (RIE of monocrystalline multilayered III–V semiconductors in situ. The related accuracy of etch depth control is better than 16 nm. Comparison with results of secondary ion mass spectrometry (SIMS reveals a deviation of only about 4 nm in optimal cases. To illustrate the applicability of the reported method in every day settings for the first time the highly etch depth sensitive lithographic process to form a film lens on the waveguide ridge of a broad area laser (BAL is presented. This example elucidates the benefits of the method in semiconductor device fabrication and also suggests how to fulfill design requirements for the sample in order to make RAS control possible.

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

Science.gov (United States)

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.

3-D Printed Anti-Reflection Structures for the Terahertz Region

Science.gov (United States)

Bomba, Jarosław; Suszek, Jarosław; Makowski, Michał; Sobczyk, Artur; Sypek, Maciej

2018-01-01

Terahertz radiation has a growing number of applications in material characterization, where spectral fingerprinting and diffractive effects are the carriers of information. On the other hand, electromagnetic waves in the range of millimeters exhibit strong unwanted specular reflections, resulting in uncontrolled interferences. This problem is especially disturbing in the goniometric time-domain spectroscopy (TDS) configuration, where angular distribution of the field modified by the sample is altered by unwanted reflections. For this reason, low-cost anti-reflection layers are desired. Here, we present a simple way of designing and manufacturing one-sided and two-sided anti-reflection polyamide layers for the THz range. The structures were fabricated using 3-D printers based on selective laser sintering. We demonstrate experimentally in the goniometric time-domain spectroscopy the significant reduction of wavelength-dependent oscillations in Fabry-Perot configuration in the range between 0.1 and 0.3 THz. We also examine the influence of the anti-reflection layers on the distribution of THz energy in reflected, transmitted, and diffracted fields.

Quality evaluation of regional forage resources by means of near infrared reflectance spectroscopy

Directory of Open Access Journals (Sweden)

Bruno Ronchi

2010-01-01

Full Text Available Quality parameters of grassland and pasture samples collected during a three-year period at two environmentally andgeographically different areas were analysed by Near Infrared Reflectance Spectroscopy (NIRS. Chemical analysis forcrude protein (CP, crude fibre (CF, neutral detergent fibre (NDF, acid detergent fibre (ADF, acid detergent lignin (ADLand crude ash (ASH carried out on two-thirds of the samples were used in calibration processes. The remaining onethirdof the data was used to validate the best calibrations obtained. Samples selection is discussed. Different math pretreatments(derivative, gap, primary smoothing and secondary smoothing, light scattering correction methods and calibrationalgorithms were tested to achieve the better predictive performances. We obtained the best results using differentregression algorithms to correlate spectral information to chemical data. For CP (R2 = 0.94, SEP=1.3, NDF (R2 =0.95, SEP = 2.14 and ADF (R2 = 0.92, SEP=2.06 Multiple Linear Regression (MLR models fit chemical data better thanMean Partial Least Square (MPLS regression. A molecular basis explanation of wavelengths selected was carried out.MPLS models worked well for CF (R2 = 0.93, SEP=1.57, and ASH (R2 = 0.95, SEP=1.17 while poor calibrations wereobtained for ADL using both algorithms. To confirm the reliability of the models developed, uncertainties of predictionswere compared with findings on nutritional variations and animal performances.

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

Science.gov (United States)

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.

Extending applicability of terahertz spectroscopy for biosensing

Science.gov (United States)

Parthasarathy, Ramakrishnan

Terahertz (THz) vibrational resonance spectroscopy has recently emerged as a promising technique for fingerprinting biological molecules. Absorption spectra in this frequency range (0.1-10 THz) reflect molecular internal vibrations involving the weakest hydrogen bonds and/or non-bonded interactions, which are species specific. Of prime importance is improving detection sensitivity of molecules with low absorption characteristics in the THz gap. Also of importance is the characterization of biological molecules in the THz gap (10-25 cm-1) by physical parameters (refractive index and absorption coefficient) rather than sample dependent parameters (transmission, reflection) and extending spectroscopy to the low THz range where remote sensing is most viable. To address the sensitivity issue, it is shown that periodic arrays of rectangular slots with subwavelength width provide for local electromagnetic field enhancements due to edge effects in the low frequency range of interest, 10-25 cm-1 (300-750 GHz). Periodic structures of Au, doped Si and InSb were studied. InSb is confirmed to offer the highest results with the local power enhancements on the order of 1100 at frequency 14 cm -1. InSb and Si have large skin depths in the frequency range of interest and so the analysis of their structures was done through the Fourier expansion method of field diffracted from gratings. Au however has small skin depths at these frequencies compared to the thickness. Surface impedance boundary conditions were employed to model the Au structure, for which the Fourier expansion method was unsuitable owing to the huge magnitude of Au permittivity. The applications possibly include development of novel bio-sensors, with the strongly enhanced local electromagnetic fields leading to increased detection sensitivity, and monitoring biophysical processes such as DNA denaturation. Transmission and reflection data from parallel, independent experiments are utilized in the Interference

An investigation of Oxygen adsorption on W(110) using reflectance anisotropy spectroscopy

International Nuclear Information System (INIS)

Zeybek, O.

2004-01-01

The probe of metal surface electronic structure and results of the oxidation of a BCC material and the first Joint Density of States interpretation of the spectrum from same metal have been presented. The surface sensitivity of RAS has been exploited when applied to a cubic single crystal to study the surface electronic structure of W(110) and the resulting chemisorption-induced changes upon exposure to oxygen. Oxidation of the surface is monitored until a final exposure of 10 Langmuirs is reached. A decrease of reflectance anisotropy signal is obtained with increasing oxygen coverage on the substrate and a coverage of ∼0.75 ML results in zero anisotropy over the reflectance anisotropy energy range

An investigation of Oxygen adsorption on W(110) using reflectance anisotropy spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Zeybek, O [Department of Physics, Balikesir University, Balikesir (Turkey)

2004-07-01

The probe of metal surface electronic structure and results of the oxidation of a BCC material and the first Joint Density of States interpretation of the spectrum from same metal have been presented. The surface sensitivity of RAS has been exploited when applied to a cubic single crystal to study the surface electronic structure of W(110) and the resulting chemisorption-induced changes upon exposure to oxygen. Oxidation of the surface is monitored until a final exposure of 10 Langmuirs is reached. A decrease of reflectance anisotropy signal is obtained with increasing oxygen coverage on the substrate and a coverage of {approx}0.75 ML results in zero anisotropy over the reflectance anisotropy energy range.

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

Science.gov (United States)

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

2017-12-14

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

Polar phonons in β-Ga2O3 studied by IR reflectance spectroscopy and first-principle calculations

Science.gov (United States)

Azuhata, Takashi; Shimada, Kazuhiro

2017-08-01

IR reflectance spectra of β-Ga2O3 are measured in the range from 400 to 1100 cm-1 using the (\\bar{2}01) and (010) planes for pure transverse Au- and Bu-mode phonons, respectively. The spectra measured using the (010) plane depend remarkably on the polarization direction of the incident light because of the monoclinic symmetry. Reflectance spectra simulated using parameters obtained from first-principle calculations are in good agreement with the experimental spectra. By adjusting the calculated phonon parameters so as to reproduce the experimental spectra, the polar phonon parameters were determined for six modes above 400 cm-1.

Reflectance spectroscopy from TiO2 particles embedded in polyurethane

DEFF Research Database (Denmark)

Gudla, Visweswara Chakravarthy; Canulescu, Stela; Johansen, Villads Egede

2013-01-01

This paper presents the results of a physical simulation carried out using TiO2-Polyurethane composite coating on bright aluminium surface to understand the light scattering effect for designing white surfaces. Polyurethane matrix is selected due to the matching refractive index (1.7) with Al2O3...... layer on anodized aluminium surfaces. Three different TiO2 particle distributions were dispersed in polyurethane and spin coated onto high gloss and caustic etched aluminium substrates. Reflectance spectra of TiO2-polyurethane films of various concentrations were analysed using an integrating sphere....... The results show that the TiO2-polyurethane coatings have a high diffuse reflectance as a result of multiple scattering from TiO2 particles. Diffuse reflectance spectra of TiO2 containing films vary weakly with particle concentration and reach a steady state value at a concentration of 0.75 wt.%. Using...

Analysis of nutrition-relevant trace elements in human blood and serum by means of total reflection X-ray fluorescence (TXRF) spectroscopy

International Nuclear Information System (INIS)

Stosnach, Hagen; Mages, Margarete

2009-01-01

In clinical service laboratories, one of the most common analytical tasks with regard to inorganic traces is the determination of the nutrition-relevant elements Fe, Cu, Zn, and Se. Because of the high numbers of samples and the commercial character of these analyses, a time-consuming sample preparation must be avoided. In this presentation, the results of total reflection X-ray fluorescence measurements with a low-power system and different sample preparation procedures are compared with those derived from analysis with common methods like Atomic Absorption Spectroscopy (AAS) and Inductively Coupled Plasma Mass Spectroscopy (ICP-MS). The results of these investigations indicate that the optimal total reflection X-ray fluorescence analysis of the nutrition-relevant elements Fe, Cu, Zn, and Se can be performed by preparing whole blood and serum samples after dilution with ultrapure water and transferring 10 μl of internally standardized sample to an unsiliconized quartz glass sample carrier with subsequent drying in a laboratory oven. Suitable measurement time was found to be 600 s. The enhanced sample preparation by means of microwave or open digestion, in parts combined with cold plasma ashing, led to an improvement of detection limits by a factor of 2 for serum samples while for whole blood samples an improvement was only observed for samples prepared by means of microwave digestion. As the matrix elements P, S, Cl, and for whole blood Fe have a major influence on the detection limits, most probably a further enhancement of analytical quality requires the removal of the organic matrix. However, for the routine analysis of the nutrition-relevant elements, the dilution preparation was found to be sufficient.

Assessing Pearl Quality Using Reflectance UV-Vis Spectroscopy: Does the Same Donor Produce Consistent Pearl Quality?

Directory of Open Access Journals (Sweden)

Paul C. Southgate

2010-09-01

Full Text Available Two groups of commercial quality (“acceptable” pearls produced using two donors, and a group of “acceptable” pearls from other donors were analyzed using reflectance UV-Vis spectrophotometry. Three pearls with different colors produced by the same donor showed different absorption spectra. Cream and gold colored pearls showed a wide absorption from 320 to about 460 nm, while there was just slight reflectance around 400 nm by the white pearl with a pink overtone. Cream and gold pearls reached a reflectance peak at 560 to 590 nm, while the white pearl with pink overtone showed slightly wider absorption in this region. Both cream and gold pearls showed an absorption peak after the reflectance peak, at about 700 nm for the cream pearl and 750 nm for the gold pearl. Two other pearls produced by the same donor (white with cream overtone and cream with various overtones showed similar spectra, which differed in their intensity. One of these pearls had very high lustre and its spectrum showed a much higher percentage reflectance than the second pearl with inferior lustre. This result may indicate that reflectance is a useful quantitative indicator of pearl lustre. The spectra of two white pearls resulting from different donors with the same color nacre (silver showed a reflectance at 260 nm, followed by absorption at 280 nm and another reflectance peak at 340 nm. After this peak the spectra for these pearls remained flat until a slight absorption peak around 700 nm. Throughout the visible region, all white pearls used in this study showed similar reflectance spectra although there were differences in reflectance intensity. Unlike the spectral results from white pearls, the results from yellow and gold pearls varied according to color saturation of the pearl. The results of this study show that similarities between absorption and reflectance spectra of cultured pearls resulting from the same saibo donor are negligible and could not be detected

Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as an Analytical Method to Investigate the Secondary Structure of a Model Protein Embedded in Solid Lipid Matrices.

Science.gov (United States)

Zeeshan, Farrukh; Tabbassum, Misbah; Jorgensen, Lene; Medlicott, Natalie J

2018-02-01

Protein drugs may encounter conformational perturbations during the formulation processing of lipid-based solid dosage forms. In aqueous protein solutions, attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can investigate these conformational changes following the subtraction of spectral interference of solvent with protein amide I bands. However, in solid dosage forms, the possible spectral contribution of lipid carriers to protein amide I band may be an obstacle to determine conformational alterations. The objective of this study was to develop an ATR FT-IR spectroscopic method for the analysis of protein secondary structure embedded in solid lipid matrices. Bovine serum albumin (BSA) was chosen as a model protein, while Precirol AT05 (glycerol palmitostearate, melting point 58 ℃) was employed as the model lipid matrix. Bovine serum albumin was incorporated into lipid using physical mixing, melting and mixing, or wet granulation mixing methods. Attenuated total reflection FT-IR spectroscopy and size exclusion chromatography (SEC) were performed for the analysis of BSA secondary structure and its dissolution in aqueous media, respectively. The results showed significant interference of Precirol ATO5 with BSA amide I band which was subtracted up to 90% w/w lipid content to analyze BSA secondary structure. In addition, ATR FT-IR spectroscopy also detected thermally denatured BSA solid alone and in the presence of lipid matrix indicating its suitability for the detection of denatured protein solids in lipid matrices. Despite being in the solid state, conformational changes occurred to BSA upon incorporation into solid lipid matrices. However, the extent of these conformational alterations was found to be dependent on the mixing method employed as indicated by area overlap calculations. For instance, the melting and mixing method imparted negligible effect on BSA secondary structure, whereas the wet granulation mixing method promoted

Phase transitions of amorphous solid acetone in confined geometry investigated by reflection absorption infrared spectroscopy.

Science.gov (United States)

Shin, Sunghwan; Kang, Hani; Kim, Jun Soo; Kang, Heon

2014-11-26

We investigated the phase transformations of amorphous solid acetone under confined geometry by preparing acetone films trapped in amorphous solid water (ASW) or CCl4. Reflection absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) were used to monitor the phase changes of the acetone sample with increasing temperature. An acetone film trapped in ASW shows an abrupt change in the RAIRS features of the acetone vibrational bands during heating from 80 to 100 K, which indicates the transformation of amorphous solid acetone to a molecularly aligned crystalline phase. Further heating of the sample to 140 K produces an isotropic solid phase, and eventually a fluid phase near 157 K, at which the acetone sample is probably trapped in a pressurized, superheated condition inside the ASW matrix. Inside a CCl4 matrix, amorphous solid acetone crystallizes into a different, isotropic structure at ca. 90 K. We propose that the molecularly aligned crystalline phase formed in ASW is created by heterogeneous nucleation at the acetone-water interface, with resultant crystal growth, whereas the isotropic crystalline phase in CCl4 is formed by homogeneous crystal growth starting from the bulk region of the acetone sample.

Study of Laser Reflectivity on Skin

International Nuclear Information System (INIS)

Oidor-Garcia, J. J. J.; Trevino-Palacios, C. G.

2008-01-01

The response to the light on the skin can be manifested as temperature increase or creation of biochemical byproducts, in which further studies are required to asset the light effect. This response changes the average response over time and can produce discrepancies between similar studies. In this work we present a Low Level Laser Therapy (LLLT) study with feedback. We study the time response reflectivity of a 980 nm laser diode of 25 mW modulated at frequencies close to 40 kHz and detect the reflected light on a silicon photodiode, finding no direct correlation between different test points or individuals, while finding reproducible responses within the same individual and test point

Noninvasive particle sizing using camera-based diffuse reflectance spectroscopy

DEFF Research Database (Denmark)

Abildgaard, Otto Højager Attermann; Frisvad, Jeppe Revall; Falster, Viggo

2016-01-01

Diffuse reflectance measurements are useful for noninvasive inspection of optical properties such as reduced scattering and absorption coefficients. Spectroscopic analysis of these optical properties can be used for particle sizing. Systems based on optical fiber probes are commonly employed...

Hollow waveguide cavity ringdown spectroscopy

Science.gov (United States)

Dreyer, Chris (Inventor); Mungas, Greg S. (Inventor)

2012-01-01

Laser light is confined in a hollow waveguide between two highly reflective mirrors. This waveguide cavity is used to conduct Cavity Ringdown Absorption Spectroscopy of loss mechanisms in the cavity including absorption or scattering by gases, liquid, solids, and/or optical elements.

Influence of composition and roughness on the pigment mapping of paintings using mid-infrared fiberoptics reflectance spectroscopy (mid-IR FORS) and multivariate calibration.

Science.gov (United States)

Sessa, Clarimma; Bagán, Héctor; García, Jose Francisco

2014-10-01

Mid-infrared fiberoptics reflectance spectroscopy (mid-IR FORS) is a very interesting technique for artwork characterization purposes. However, the fact that the spectra obtained are a mixture of surface (specular) and volume (diffuse) reflection is a significant drawback. The physical and chemical features of the artwork surface may produce distortions in the spectra that hinder comparison with reference databases acquired in transmission mode. Several studies attempted to understand the influence of the different variables and propose procedures to improve the interpretation of the spectra. This article is focused on the application of mid-IR FORS and multivariate calibration to the analysis of easel paintings. The objectives are the evaluation of the influence of the surface roughness on the spectra, the influence of the matrix composition for the classification of unknown spectra, and the capability of obtaining pigment composition mappings. A first evaluation of a fast procedure for spectra management and pigment discrimination is discussed. The results demonstrate the capability of multivariate methods, principal component analysis (PCA), and partial least squares discrimination analysis (PLS-DA), to model the distortions of the reflectance spectra and to delimitate and discriminate areas of uniform composition. The roughness of the painting surface is found to be an important factor affecting the shape and relative intensity of the spectra. A mapping of the major pigments of a painting is possible using mid-IR FORS and PLS-DA when the calibration set is a palette that includes the potential pigments present in the artwork mixed with the appropriate binder and that shows the different paint textures.

'Combined reflectance stratigraphy' - subdivision of loess successions by diffuse reflectance spectrometry (DRS)

Science.gov (United States)

Szeberényi, Jozsef; Bradak-Hayashi, Balázs; Kiss, Klaudia; Kovács, József; Varga, György; Balázs, Réka; Szalai, Zoltán; Viczián, István

2016-04-01

The different varieties of loess (and intercalated paleosol layers) together constitute one of the most widespread terrestrial sediments, which was deposited, altered, and redeposited in the course of the changing climatic conditions of the Pleistocene. To reveal more information about Pleistocene climate cycles and/or environments the detailed lithostratigraphical subdivision and classification of the loess variations and paleosols are necessary. Beside the numerous method such as various field measurements, semi-quantitative tests and laboratory investigations, diffuse reflectance spectroscopy (DRS) is one of the well applied method on loess/paleosol sequences. Generally, DRS has been used to separate the detrital and pedogenic mineral component of the loess sections by the hematite/goethite ratio. DRS also has been applied as a joint method of various environmental magnetic investigations such as magnetic susceptibility- and isothermal remanent magnetization measurements. In our study the so-called "combined reflectance stratigraphy method" were developed. At First, complex mathematical method was applied to compare the results of the spectral reflectance measurements. One of the most preferred multivariate methods is cluster analysis. Its scope is to group and compare the loess variations and paleosol based on the similarity and common properties of their reflectance curves. In the Second, beside the basic subdivision of the profiles by the different reflectance curves of the layers, the most characteristic wavelength section of the reflectance curve was determined. This sections played the most important role during the classification of the different materials of the section. The reflectance value of individual samples, belonged to the characteristic wavelength were depicted in the function of depth and well correlated with other proxies like grain size distribution and magnetic susceptibility data. The results of the correlation showed the significance of

Determining the mineral composition in Cucurbita pepo fruit using near infrared reflectance spectroscopy.

Science.gov (United States)

Martínez-Valdivieso, Damián; Font, Rafael; Gómez, Pedro; Blanco-Díaz, Teresa; Del Río-Celestino, Mercedes

2014-12-01

Efforts through conventional breeding to improve the mineral content in horticultural crops have not always been successful mainly due to the fact that standard analytical methods are both costly and time-consuming. We investigated the feasibility of applying near infrared reflectance spectroscopy (NIRS) to the estimation of essential mineral composition in the skin and flesh of summer squash fruits (Cucurbita pepo subsp. pepo) using a 200-sample set from diverse morphotypes. The coefficients of determination in the external validation (R(2) VAL) obtained for the skin and flesh of the fruit were: total mineral content, 0.84 and 0.70; P, 0.74 and 0.62; K, 0.83 and 0.67; Ca, 0.57 and 0.60; Mg, 0.78 and 0.45; Fe, 0.78 and 0.65; Cu, 0.67 and 0.66; Mn, 0.67 and 0.64; Zn, 0.80 and 0.79 and Na, 0.33 and 0.33; respectively. NIRS combined with different spectral transformations by modified partial least-squares (MPLS) regression has shown to be useful in determining the mineral composition of summer squash fruit, being a fast and low-cost analytical technique. Components such as chlorophyll, starch and lipids were used by MPLS for modelling the predicting equations. The promotion of micronutrient-rich summer squash varieties could have a significant long-term beneficial impact on the health of mineral deficient human populations. © 2014 Society of Chemical Industry.

First combined total reflection X-ray fluorescence and grazing incidence X-ray absorption spectroscopy characterization of aeolian dust archived in Antarctica and Alpine deep ice cores

Energy Technology Data Exchange (ETDEWEB)

Cibin, G. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxon OX110DE (United Kingdom); IMONT/EIM, Ente Italiano della Montagna, P.za dei Caprettari 70, 00176 Roma (Italy); Universita' degli Studi di Roma Tre, Dipartimento di Scienze Geologiche, L.go S. Leonardo Murialdo 1, 00146 Roma (Italy)], E-mail: giannantonio.cibin@diamond.ac.uk; Marcelli, A. [INFN - Laboratori Nazionali di Frascati, P.O. Box 13, 00044 Frascati (Roma) (Italy); Maggi, V. [Universita degli Studi di Milano-Bicocca, Dipartimento di Scienze dell' Ambiente e del Territorio, Piazza della Scienza 1, 20126 Milano (Italy); Sala, M. [Universita degli Studi di Milano-Bicocca, Dipartimento di Scienze dell' Ambiente e del Territorio, Piazza della Scienza 1, 20126 Milano (Italy); Universita degli Studi di Milano, Dipartimento di Scienze della Terra ' A. Desio' , Sez. Mineralogia, Via Mangiagalli 34, 20133 Milano (Italy); Marino, F.; Delmonte, B. [Universita degli Studi di Milano-Bicocca, Dipartimento di Scienze dell' Ambiente e del Territorio, Piazza della Scienza 1, 20126 Milano (Italy); Albani, S. [Universita degli Studi di Milano-Bicocca, Dipartimento di Scienze dell' Ambiente e del Territorio, Piazza della Scienza 1, 20126 Milano (Italy); Universita degli Studi di Siena, Dottorato in Scienze Polari, via Laterina 8, 53100 Siena (Italy); Pignotti, S. [IMONT/EIM, Ente Italiano della Montagna, P.za dei Caprettari 70, 00176 Roma (Italy)

2008-12-15

Aeolian mineral dust archived in polar and mid latitude ice cores represents a precious proxy for assessing environmental and climatic variations at different timescales. In this respect, the identification of dust mineralogy plays a key role. In this work we performed the first preliminary X-ray absorption spectroscopy (XAS) experiments on mineral dust particles extracted from Antarctic and from Alpine firn cores using grazing incidence geometry at the Fe K-edge. A dedicated high vacuum experimental chamber was set up for normal-incidence and total-reflection X-Ray Fluorescence and Absorption Spectroscopy analyses on minor amounts of mineral materials at the Stanford Synchrotron Radiation Laboratory. Results show that this experimental technique and protocol allows recognizing iron inclusion mineral fraction on insoluble dust in the 1-10 {mu}g range.

First combined total reflection X-ray fluorescence and grazing incidence X-ray absorption spectroscopy characterization of aeolian dust archived in Antarctica and Alpine deep ice cores

International Nuclear Information System (INIS)

Cibin, G.; Marcelli, A.; Maggi, V.; Sala, M.; Marino, F.; Delmonte, B.; Albani, S.; Pignotti, S.

2008-01-01

Aeolian mineral dust archived in polar and mid latitude ice cores represents a precious proxy for assessing environmental and climatic variations at different timescales. In this respect, the identification of dust mineralogy plays a key role. In this work we performed the first preliminary X-ray absorption spectroscopy (XAS) experiments on mineral dust particles extracted from Antarctic and from Alpine firn cores using grazing incidence geometry at the Fe K-edge. A dedicated high vacuum experimental chamber was set up for normal-incidence and total-reflection X-Ray Fluorescence and Absorption Spectroscopy analyses on minor amounts of mineral materials at the Stanford Synchrotron Radiation Laboratory. Results show that this experimental technique and protocol allows recognizing iron inclusion mineral fraction on insoluble dust in the 1-10 μg range

Penning ionization processes studied by electron spectroscopy

International Nuclear Information System (INIS)

Yencha, A.J.

1978-01-01

The technique of measuring the kinetic energy of electrons ejected from atomic or molecular species as a result of collisional energy transfer between a metastable excited rare gas atom and an atom or molecule is known as Penning ionization spectroscopy. Like the analogous photoionization process of photoelectron spectroscopy, a considerable amount of information has been gained about the ionization potentials of numerous molecular systems. It is, in fact, through the combined analyses of photoelectron and Penning electron spectra that affords a probe of the particle-particle interactions that occur in the Penning process. In this paper a short survey of the phenomenon of Penning ionization, as studied by electron spectroscopy, will be presented as it pertains to the ionization processes of simple molecules by metastable excited atoms. (author)

Optical spectroscopy techniques can accurately distinguish benign and malignant renal tumours.

Science.gov (United States)

Couapel, Jean-Philippe; Senhadji, Lotfi; Rioux-Leclercq, Nathalie; Verhoest, Grégory; Lavastre, Olivier; de Crevoisier, Renaud; Bensalah, Karim

2013-05-01

WHAT'S KNOWN ON THE SUBJECT? AND WHAT DOES THE STUDY ADD?: There is little known about optical spectroscopy techniques ability to evaluate renal tumours. This study shows for the first time the ability of Raman and optical reflectance spectroscopy to distinguish benign and malignant renal tumours in an ex vivo environment. We plan to develop this optical assistance in the operating room in the near future. To evaluate the ability of Raman spectroscopy (RS) and optical reflectance spectroscopy (ORS) to distinguish benign and malignant renal tumours at surgery. Between March and October 2011, RS and ORS spectra were prospectively acquired on surgical renal specimens removed for suspicion of renal cell carcinoma (RCC). Optical measurements were done immediately after surgery. Optical signals were normalised to ensure comparison between spectra. Initial and final portions of each spectrum were removed to avoid artefacts. A support vector machine (SVM) was built and tested using a leave-one-out cross-validation. Classification scores, including accuracy, sensitivity and specificity were calculated on the entire population and in patients with tumours of 700 optical spectra were obtained and submitted to SVM classification. The SVM could recognise benign and malignant renal tumours with an accuracy of 96% (RS) and 88% (ORS) in the whole population and with an accuracy of 93% (RS) and 95% (ORS) in the present subset of small renal tumours (Benign and malignant renal tumours can be accurately discriminated by a combination of RS and ORS. In vivo experiments are needed to further assess the value of optical spectroscopy techniques. © 2012 BJU International.

Auger electron spectroscopy, ionization loss spectroscopy, appearance potential spectroscopy

International Nuclear Information System (INIS)

Riwan, R.

1973-01-01

The spectroscopy of surfaces using an incident electron beam is studied. The fundamental mechanisms are discussed together with the parameters involved in Auger emission: excitation of the atom, de-excitation by electron emission, and the migration of electrons towards the surface and their ejection. Some examples of applications are given (surface structures, metallurgy, chemical information). Two new techniques for analyzing surfaces are studied: ionization spectroscopy, and appearance potential spectroscopy [fr

Anti-reflection textured structures by wet etching and island lithography for surface-enhanced Raman spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Chao, Bo-Kai [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Cheng, Hsin-Hung [Department of Marine Engineering, Taipei College of Maritime Technology, Taipei 11174, Taiwan (China); Nien, Li-Wei; Chen, Miin-Jang [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Nagao, Tadaaki [Center for Materials Nanoarchitectonics, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044 (Japan); Li, Jia-Han [Department of Engineering Science and Ocean Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Hsueh, Chun-Hway, E-mail: hsuehc@ntu.edu.tw [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China)

2015-12-01

Graphical abstract: - Highlights: • We fabricated textured SERS substrate with a high surface area and low reflectance. • Large surface area of substrate contains more gold nanodroplets to absorb analytes. • Low reflectance of textured SERS substrate enabled multiple reflections of incident laser light. • We obtained strong SERS enhancement from nanopillar-on-pyramid SERS substrate. - Abstract: A high surface area and low reflection textured surface-enhanced Raman scattering (SERS) substrate with plasmonic gold nanodroplets fabricated by wet etching and island lithography was reported in the present study. Specifically, four textured substrates, planar, pyramid, nanopillar, and nanopillar-on-pyramid, were fabricated. The fabricated structures were simulated using the finite-difference time-domain method and the results agreed with the reflection and dark-field scattering measurements. Although the SERS signals varied in different measured regions because of the random nanostructure, the SERS substrates with nanopillar-on-pyramid structure always have the stronger enhancement factor than the SERS substrates with only pyramids or nanopillars. Based on the atomic force microscope and reflection measurements, the nanopillar-on-pyramid structure provided a large surface area and multiple reflections for SERS enhancement, which was about 3 orders of magnitude larger than that of the planar substrate. Our results can be applied to fabricate the inexpensive, large surface area, and high SERS enhancement substrates.

Prediction of purine derivatives, creatinine and total nitrogen concentrations in urine by FT-Near-lnfrared Reflectance spectroscopy (FT-NIR)

International Nuclear Information System (INIS)

Susmel, P.; Piani, B.; Toso, B.; Stefanon, B.

2004-01-01

The objective of this study was to provide an alternative method for the determination of purine derivatives (PD, which include allantoin, uric acid, hypoxanthine and xanthine), creatinine and total nitrogen (N) concentrations in urine. About 180 urine samples from cattle, buffaloes and rabbit were collected and analyzed for PD by HPLC, creatinine by spectrophotometry and N by Kjeldahl method. The urine samples were then analyzed by Fourier Transformed Near Infrared Reflectance Spectroscopy (FT-NIR) to find conformity between this technique and the HPLC and colorimetric methods. FT-NIR can predict allantoin, uric acid, hypoxanthine, xanthine, creatinine, total N and sum of N in both allantoin and uric acid with a satisfactory level of accuracy: the determination coefficient (r 2 ) of validation ranged from 0.888% for uric acid to 0.982% for total N. The coefficients of determination for allantoin, creatinine and sum of N in both allantoin and uric acid were 0.92, 0.894 and 0.90%, respectively. Hypoxanthine and xanthine in urine samples were not detectable by NIRS, probably because of their low concentrations, and therefore they were not considered for instrumental calibration. (author)

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

Science.gov (United States)

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.

Reflectance spectroscopy of indoor settled dust in Tel Aviv, Israel: comparison between the spring and the summer seasons

Directory of Open Access Journals (Sweden)

A. A. Chudnovsky

2007-07-01

Full Text Available The influence of mineral and anthropogenic dust components on the VIS-NIR-SWIR spectral reflectance of artificial laboratory dust mixtures was evaluated and used in combination with Partial Least Squares (PLS regression to construct a model that correlates the dust content with its reflectance. Small amounts of dust (0.018–0.33 mg/cm² were collected using glass traps placed in different indoor environments in Tel Aviv, Israel during the spring and summer of 2005. The constructed model was applied to reflectance spectroscopy measurements derived from the field dust samples to assess their mineral content. Additionally, field samples were examined using Principal Component Analysis (PCA to identify the most representative spectral pattern for each season. Across the visible range of spectra two main spectral shapes were observed, convex and concave, though spectra exhibiting hybrid shapes were also seen. Spectra derived from spring season dust samples were characterized mostly by a convex shape, which indicates a high mineral content. In contrast, the spectra generated from summer samples were characterized generally by a concave shape, which indicates a high organic matter content. In addition to this seasonal variation in spectral patterns, spectral differences were observed associated with the dwelling position in the city. Samples collected in the city center showed higher organic content, whereas samples taken from locations at the city margins, near the sea and next to open areas, exhibited higher mineral content. We conclude that mineral components originating in the outdoor environment influence indoor dust loads, even when considering relatively small amounts of indoor settled dust. The sensitive spectral-based method developed here has potentially many applications for environmental researchers and policy makers concerned with dust pollution.

Fourier transform infrared-attenuated total reflectance (FTIR-ATR spectroscopy and chemometric techniques for the determination of adulteration in petrodiesel/biodiesel blends

Directory of Open Access Journals (Sweden)

Armando Guerrero Peña

2014-06-01

Full Text Available We propose an analytical method based on fourier transform infrared-attenuated total reflectance (FTIR-ATR spectroscopy to detect the adulteration of petrodiesel and petrodiesel/palm biodiesel blends with African crude palm oil. The infrared spectral fingerprints from the sample analysis were used to perform principal components analysis (PCA and to construct a prediction model using partial least squares (PLS regression. The PCA results separated the samples into three groups, allowing identification of those subjected to adulteration with palm oil. The obtained model shows a good predictive capacity for determining the concentration of palm oil in petrodiesel/biodiesel blends. Advantages of the proposed method include cost-effectiveness and speed; it is also environmentally friendly.

Visible and near-infrared spectroscopic analysis of raw milk for cow health monitoring: reflectance or transmittance?

Science.gov (United States)

Aernouts, B; Polshin, E; Lammertyn, J; Saeys, W

2011-11-01

The composition of produced milk has great value for the dairy farmer. It determines the economic value of the milk and provides valuable information about the metabolism of the corresponding cow. Therefore, online measurement of milk components during milking 2 or more times per day would provide knowledge about the current health and nutritional status of each cow individually. This information provides a solid basis for optimizing cow management. The potential of visible and near-infrared (Vis/NIR) spectroscopy for predicting the fat, crude protein, lactose, and urea content of raw milk online during milking was, therefore, investigated in this study. Two measurement modes (reflectance and transmittance) and different wavelength ranges for Vis/NIR spectroscopy were evaluated and their ability to measure the milk composition online was compared. The Vis/NIR reflectance measurements allowed for very accurate monitoring of the fat and crude protein content in raw milk (R(2)>0.95), but resulted in poor lactose predictions (R(2)milk samples gave accurate fat and crude protein predictions (R(2)>0.90) and useful lactose predictions (R(2)=0.88). Neither Vis/NIR reflectance nor transmittance spectroscopy lead to an acceptable prediction of the milk urea content. Transmittance spectroscopy can thus be used to predict the 3 major milk components, but with lower accuracy for fat and crude protein than the reflectance mode. Moreover, the small sample thickness (1mm) required for NIR transmittance measurement considerably complicates its online use. Copyright © 2011 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Neutron spectroscopy for confinement studies

International Nuclear Information System (INIS)

Zorn, R.

2010-01-01

Neutron spectroscopy is an important method for the study of microscopic dynamics because it captures the spatial as well as the temporal aspects of the atomic or molecular motion. In this article techniques will be presented which are of special importance for the study of confined systems. Many of these are based on the fact that neutron scattering is isotope-dependent. Possible sources of systematic errors in measurements of confined systems will be pointed out. (author)

Characterization and quantitation of aprepitant drug substance polymorphs by attenuated total reflectance fourier transform infrared spectroscopy.

Science.gov (United States)

Helmy, Roy; Zhou, George X; Chen, Yadan W; Crocker, Louis; Wang, Tao; Wenslow, Robert M; Vailaya, Anant

2003-02-01

In this study, we report the use of attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FT-IR) for the identification and quantitation of two polymorphs of Aprepitant, a substance P antagonist for chemotherapy-induced emesis. Mixtures of the polymorph pair were prepared by weight and ATR-FT-IR spectra of the powdered samples were obtained over the wavelength range of 700-1500 cm(-1). Significant spectral differences between the two polymorphs at 1140 cm(-1) show that ATR-FT-IR can provide definitive identification of the polymorphs. To investigate the feasibility of ATR-FT-IR for quantitation of polymorphic forms of Aprepitant, a calibration plot was constructed with known mixtures of the two polymorphs by plotting the peak ratio of the second derivative of absorbance spectra against the weight percent of form II in the polymorphic mixture. Using this novel approach, 3 wt % of one crystal form could be detected in mixtures of the two polymorphs. The accuracy of ATR-FT-IR in determining polymorph purity of the drug substance was tested by comparing the results with those obtained by X-ray powder diffractometry (XRPD). Indeed, polymorphic purity results obtained by ATR-FT-IR were found to be in good agreement with the predictions made by XRPD and compared favorably with actual values in the known mixtures. The present study clearly demonstrates the potential of ATR-FT-IR as a quick, easy, and inexpensive alternative to XRPD for the determination of polymorphic identity and purity of solid drug substances. The technique is ideally suited for polymorph analysis, because it is precise, accurate, and requires minimal sample preparation.

Simultaneous determination of CRP and D-dimer in human blood plasma samples with White Light Reflectance Spectroscopy.

Science.gov (United States)

Koukouvinos, Georgios; Petrou, Panagiota; Misiakos, Konstantinos; Drygiannakis, Dimitris; Raptis, Ioannis; Stefanitsis, Gerasimos; Martini, Spyridoula; Nikita, Dimitra; Goustouridis, Dimitrios; Moser, Isabella; Jobst, Gerhard; Kakabakos, Sotirios

2016-10-15

A dual-analyte assay for the simultaneous determination of C-reactive protein (CRP) and D-dimer in human blood plasma based on a white light interference spectroscopy sensing platform is presented. Measurement is accomplished in real-time by scanning the sensing surface, on which distinct antibody areas have been created, with a reflection probe used both for illumination of the surface and collection of the reflected interference spectrum. The composition of the transducer, the sensing surface chemical activation and biofunctionalization procedures were optimized with respect to signal magnitude and repeatability. The assay format involved direct detection of CRP whereas for D-dimer a two-site immunoassay employing a biotinylated reporter antibody and reaction with streptavidin was selected. The assays were sensitive with detection limits of 25ng/mL for both analytes, precise with intra- and inter-assay CV values ranging from 3.6% to 7.7%, and from 4.8% to 9.5%, respectively, for both assays, and accurate with recovery values ranging from 88.5% to 108% for both analytes. Moreover, the values determined for the two analytes in 35 human plasma samples were in excellent agreement with those received for the same samples by standard diagnostic laboratory instrumentation employing commercial kits. The excellent agreement of the results supported the validity of the proposed system for clinical application for the detection of multiple analytes since it was demonstrated that up to seven antibody areas can be created on the sensing surface and successfully interrogated with the developed optical set-up. Copyright © 2015. Published by Elsevier B.V.

Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Hellman, Hal

1968-01-01

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

Views of Nursing Students about Reflection: A Qualitative Study

Directory of Open Access Journals (Sweden)

Marrzieh Moattari

2009-06-01

Full Text Available Background and purpose: The phenomenon of knowledge explosion has led teachers to feel the necessity of training students so that they become reflective thinkers. This issue is particularly important for nursing students who are responsible for providing care for patients. The purpose ofthis study is exploration of nursing students’ views on reflection on practice.Methods: Twenty senior nursing students participated in this study. They were asked to reflect on their clinical experiences for 10 weeks of their final clinical course. They were also asked to write their reflection in their weekly journals. The journals were studied by the researcher and appropriatefeedback was given to the student regarding their reflective writing. At the end of the clinical course, they were divided into 2 groups to participate in 2 separate focus group session and to discuss the issues regarding 9 proposed open – ended questions. The students’ responses were tape – recorded and a transcript was made and analyzed qualitatively. The data were coded and categorized. Then each category was named to elicit the related constructs.Results: Qualitative data analysis showed that refection as a learning strategy has impact on 5 different elements of teaching learning process: caring, thinking, theory practice integration, selfregulatory mechanisms and motivation.Conclusion: Nursing students evaluated their experience on reflection on practice as an effective and valuable strategy. They believe that reflection through 5 different but related elements make them to consolidate their learning and plan their future experiences. Four out of the five emergedconstructs in this study are very similar to elements of cyclic learning proposed by Kolb (1984 and are capable of being integrated into experiential learning cycle. Motivation can be integrated into this cycle. Based on the result of this study reflection is suggested to be integrated in Iranian nursing curriculum

[Fast determination of contents of nutrients and stone powder in compound fertilizer using near infrared diffuse reflectance spectroscopy].

Science.gov (United States)

Guo, Zheng; Yuan, Hong-Fu; Zhang, Xian; Song, Chun-Feng; Li, Xiao-Yu; Xie, Jin-Chun

2011-06-01

In the present paper, a new approach to fast determination of contents of nutrients, including total nitrogen content (N), P2O5 content (P) and K2O content (K), and of stone powder content in compound fertilizer composed of urea, ammonium dihydrogen phosphate, potassium chloride and stone powder was proposed using near infrared diffuse reflectance spectroscopy. PLS models of N, P and stone powder content were built with the SEP values of 0.8, 0.8 and 1.4 respectively. The information on which stone powder content model was built is the spectrum of crystal water existing in stone powder. K content was calculated using other ingredientcontents by normalization principle with a SEP value of 1.5. Although the SEP values are a little larger than the reproducibility errors of the GB/T methods which are conventional methods, the new method can be accepted by situ quality control in the production process of compound fertilizer.

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

DEFF Research Database (Denmark)

Knadel, Maria; Gislum, René; Hermansen, Cecilie

2017-01-01

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

Proton MR spectroscopy in solitary pulmonary nodules: a preliminary study

International Nuclear Information System (INIS)

Yang Chunshan; Xiao Xiangsheng; Li Huimin; Liu Shiyuan; Li Chengzhou; Li Shenjiang

2005-01-01

Objective: To study the characteristics and the regularities of the metabolites in solitary pulmonary nodules with proton MR spectroscopy, and to investigate the clinical value of MR spectroscopy in differentiating benign from malignant pulmonary nodules. Methods: Sixty-nine patients with solitary pulmonary nodules underwent routine MRI and single-voxel MR spectroscopy using Siemens Vision 1.5 T MR system. MR spectroscopy characteristics and parameters of the metabolites were observed and recorded. Ten pathologic specimens were examined with single-voxel MR spectroscopy. The MR spectroscopy results of the pathologic specimens were compared with those of the solitary pulmonary nodules in vivo. Results: The Cho peak (2.86 ± 1.89) of the malignant nodules was higher than that of the inflammatory (0.87 ± 0.74), tuberculous nodules (0.97 ± 1.09), and hamartoma (0.42 ± 0.53) (P 0.05). Conclusion: MR spectroscopy is reliable in evaluating pulmonary nodules in vivo. The Cho peak, Cho/Cr, and Lac peak of the malignant nodules were higher than those of inflammatory, tuberculous nodules, and hamartoma. MR spectroscopy is helpful in differentiating benign from malignant pulmonary nodules. (authors)

The application of Near-Infrared Reflectance Spectroscopy (NIRS) to detect melamine adulteration of soya bean meal.

Science.gov (United States)

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.

Using visible reflectance spectroscopy to reconstruct historical changes in chlorophyll a concentration in East Antarctic ponds

Directory of Open Access Journals (Sweden)

Qianqian Chen

2013-12-01

Full Text Available The visible reflectance spectroscopy (VRS and chlorophyll a concentration were determined in three sediment profiles collected from East Antarctica to investigate the potential application of VRS in reconstructing historical changes in Antarctic lake primary productivity. The results showed that the appearance of a trough at 650–700 nm is an important marker for chlorophyll a concentration and can therefore be used to distinguish the sedimentary organic matter source from guano and algae. The measured chlorophyll a content had significant positive correlations with the trough area between 650 and 700 nm, and no distinct trough was found in the sediments with organic matter completely derived from guano. Modelling results showed that the spectra spectrally inferred chlorophyll a content, and the measured data exhibit consistent trends with depth, showing that the dimensionless trough area can serve as an independent proxy for reconstructing historical fluctuations in the primary production of Antarctic ponds. The correlation of phosphorus (P with measured and inferred chlorophyll a contents in ornithogenic sediments near penguin colonies indicates that the change in primary productivity in the Antarctic ponds investigated was closely related to the amount of guano input from these birds.

Noninvasive method for the assessment of dermal uptake of pesticides using attenuated total reflectance infrared spectroscopy.

Science.gov (United States)

Carden, Angela; Yost, Michael G; Fenske, Richard A

2005-03-01

Dermal absorption of pesticides is a primary exposure route for agricultural workers, but is not well characterized. Current measurement techniques are either invasive, such as tape-stripping, or require extensive sample preparation or analysis time, such as urinary metabolite monitoring or wipe sampling followed by gas chromatography analysis. We present the application of a noninvasive, spectroscopic approach for the measurement of pesticide absorption into skin. Attenuated total reflectance infrared spectroscopy (ATR-IR) was used to monitor directly the absorption of two pesticides--captan and azinphos-methyl--in ten volunteers over 20 min under occlusive conditions. We found substantial variability in absorption across subjects. Our results were comparable to those measured by the more traditional method of wipe-sampling followed by extraction and gas chromatography analysis. Multivariate data analysis, in the form of multivariate curve resolution (MCR), is a novel addition to this type of experiment, yielding time-resolved information unachievable by standard methods. These data are potentially more informative than the monitoring of blood or urinary metabolites because they can be acquired in essentially real-time, allowing observations of pesticide absorption on a rapid timescale rather than over hours or days.

Discrimination of Transgenic Rice Based on Near Infrared Reflectance Spectroscopy and Partial Least Squares Regression Discriminant Analysis

Directory of Open Access Journals (Sweden)

ZHANG Long

2015-09-01

Full Text Available Near infrared reflectance spectroscopy (NIRS, a non-destructive measurement technique, was combined with partial least squares regression discrimiant analysis (PLS-DA to discriminate the transgenic (TCTP and mi166 and wild type (Zhonghua 11 rice. Furthermore, rice lines transformed with protein gene (OsTCTP and regulation gene (Osmi166 were also discriminated by the NIRS method. The performances of PLS-DA in spectral ranges of 4 000–8 000 cm-1 and 4 000–10 000 cm-1 were compared to obtain the optimal spectral range. As a result, the transgenic and wild type rice were distinguished from each other in the range of 4 000–10 000 cm-1, and the correct classification rate was 100.0% in the validation test. The transgenic rice TCTP and mi166 were also distinguished from each other in the range of 4 000–10 000 cm-1, and the correct classification rate was also 100.0%. In conclusion, NIRS combined with PLS-DA can be used for the discrimination of transgenic rice.

A new Density Functional Theory (DFT) based method for supporting the assignment of vibrational signatures of mannan and cellulose—Analysis of palm kernel cake hydrolysis by ATR-FT-IR spectroscopy as a case study

DEFF Research Database (Denmark)

Barsberg, Søren Talbro; Sanadi, Anand Ramesh; Jørgensen, Henning

2011-01-01

Attenuated Total Reflectance (ATR) FT-IR spectroscopy gives in situ information on molecular concentration, organization and interactions in plant cell walls. We demonstrate its potential for further developments by a case study which combines ATR-FT-IR spectroscopy with a recently published DFT...... a decreasing degree of polymerization to be a plausible cause, although others may interfere. Keywords: Cellulose; Mannan; FT-IR; DFT; Molecular modelling; Palm kernel...

PC operated acoustic transient spectroscopy of deep levels in MIS structures

International Nuclear Information System (INIS)

Bury, P.; Jamnicky, I.

1996-01-01

A new version of acoustic deep-level transient spectroscopy is presented to study the traps at the insulator-semiconductor interface. The acoustic deep-level transient spectroscopy uses an acoustoelectric response signal produced by the MIS structure interface when a longitudinal acoustic wave propagates through a structure. The acoustoelectric response signal is extremely sensitive to external conditions of the structure and reflects any changes in the charge distribution, connected also with charged traps. In comparison with previous version of acoustic deep-level transient spectroscopy that closely coincides with the principle of the original deep-level transient spectroscopy technique, the present technique is based on the computer-evaluated isothermal transients and represents an improved, more efficient and time saving technique. Many tests on the software used for calculation as well as on experimental setup have been performed. The improved acoustic deep-level transient spectroscopy method has been applied for the Si(p) MIS structures. The deep-level parameters as activation energy and capture cross-section have been determined. (authors)

Reflective Self-Regenerative Systems Architecture Study

National Research Council Canada - National Science Library

Pu, Carlton; Blough, Douglas

2006-01-01

In this study, we develop the Reflective Self-Regenerative Systems (RSRS) architecture in detail, describing the internal structure of each component and the mutual invocations among the components...

Positron Annihilation Ratio Spectroscopy (PsARS) Applied to Positronium Formation Studies

Science.gov (United States)

2010-03-01

Positron Annihilation Ratio Spectroscopy (PsARS). These experimental techniques have been used for a variety of military and civilian applications ... POSITRON ANNIHILATION RATIO SPECTROSCOPY (PsARS) APPLIED TO POSITRONIUM FORMATION STUDIES THESIS...of Defense, or the United States Government. AFIT/GNE/ENP/10-M07 POSITRON ANNIHILATION RATIO SPECTROSCOPY

Theoretical study of sum-frequency vibrational spectroscopy on limonene surface

International Nuclear Information System (INIS)

Zheng, Ren-Hui; Liu, Hao; Jing, Yuan-Yuan; Wang, Bo-Yang; Shi, Qiang; Wei, Wen-Mei

2014-01-01

By combining molecule dynamics (MD) simulation and quantum chemistry computation, we calculate the surface sum-frequency vibrational spectroscopy (SFVS) of R-limonene molecules at the gas-liquid interface for SSP, PPP, and SPS polarization combinations. The distributions of the Euler angles are obtained using MD simulation, the ψ-distribution is between isotropic and Gaussian. Instead of the MD distributions, different analytical distributions such as the δ-function, Gaussian and isotropic distributions are applied to simulate surface SFVS. We find that different distributions significantly affect the absolute SFVS intensity and also influence on relative SFVS intensity, and the δ-function distribution should be used with caution when the orientation distribution is broad. Furthermore, the reason that the SPS signal is weak in reflected arrangement is discussed

Theoretical study of sum-frequency vibrational spectroscopy on limonene surface

Energy Technology Data Exchange (ETDEWEB)

Zheng, Ren-Hui, E-mail: zrh@iccas.ac.cn; Liu, Hao; Jing, Yuan-Yuan; Wang, Bo-Yang; Shi, Qiang [Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Zhongguancun, Beijing 100190 (China); Wei, Wen-Mei [Department of Chemistry, College of Basic Medicine, Anhui Medical University, Hefei, Anhui 230032 (China)

2014-03-14

By combining molecule dynamics (MD) simulation and quantum chemistry computation, we calculate the surface sum-frequency vibrational spectroscopy (SFVS) of R-limonene molecules at the gas-liquid interface for SSP, PPP, and SPS polarization combinations. The distributions of the Euler angles are obtained using MD simulation, the ψ-distribution is between isotropic and Gaussian. Instead of the MD distributions, different analytical distributions such as the δ-function, Gaussian and isotropic distributions are applied to simulate surface SFVS. We find that different distributions significantly affect the absolute SFVS intensity and also influence on relative SFVS intensity, and the δ-function distribution should be used with caution when the orientation distribution is broad. Furthermore, the reason that the SPS signal is weak in reflected arrangement is discussed.

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

Science.gov (United States)

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

Moessbauer Spectroscopy study of Quimsachata Volcano materials

International Nuclear Information System (INIS)

Dominguez, A.G.B.

1988-01-01

It has been studied volcanic lava from Quimsachata Volcano in Pem. Moessbauer Spectroscopy, X-ray diffraction, electronic and optical microscopy allowed the identification of different mineralogical phases. (A.C.AS.) [pt

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

Science.gov (United States)

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

2008-10-15

Near-infrared (NIR) spectroscopy is a well-established technique for solid-state analysis, providing fast, noninvasive measurements. The use of NIR spectroscopy for polymorph screening and the associated advantages have recently been demonstrated. The objective of this work was to evaluate the analytical potential of NIR spectroscopy for cocrystal screening using Raman spectroscopy as a comparative method. Indomethacin was used as the parent molecule, while saccharin and l-aspartic acid were chosen as guest molecules. Molar ratios of 1:1 for each system were subjected to two types of preparative methods. In the case of saccharin, liquid-assisted cogrinding as well as cocrystallization from solution resulted in a stable 1:1 cocrystalline phase termed IND-SAC cocrystal. For l-aspartic acid, the solution-based method resulted in a polymorphic transition of indomethacin into the metastable alpha form retained in a physical mixture with the guest molecule, while liquid-assisted cogrinding did not induce any changes in the crystal lattice. The good chemical peak selectivity of Raman spectroscopy allowed a straightforward interpretation of sample data by analyzing peak positions and comparing to those of pure references. In addition, Raman spectroscopy provided additional information on the crystal structure of the IND-SAC cocrystal. The broad spectral line shapes of NIR spectra make visual interpretation of the spectra difficult, and consequently, multivariate modeling by principal component analysis (PCA) was applied. Successful use of NIR/PCA was possible only through the inclusion of a set of reference mixtures of parent and guest molecules representing possible solid-state outcomes from the cocrystal screening. The practical hurdle related to the need for reference mixtures seems to restrict the applicability of NIR spectroscopy in cocrystal screening.

Rapid determination of free fatty acid content in waste deodorizer distillates using single bounce-attenuated total reflectance-FTIR spectroscopy.

Science.gov (United States)

Naz, Saba; Sherazi, Sayed Tufail Hussain; Talpur, Farah N; Mahesar, Sarfaraz A; Kara, Huseyin

2012-01-01

A simple, rapid, economical, and environmentally friendly analytical method was developed for the quantitative assessment of free fatty acids (FFAs) present in deodorizer distillates and crude oils by single bounce-attenuated total reflectance-FTIR spectroscopy. Partial least squares was applied for the calibration model based on the peak region of the carbonyl group (C=O) from 1726 to 1664 cm(-1) associated with the FFAs. The proposed method totally avoided the use of organic solvents or costly standards and could be applied easily in the oil processing industry. The accuracy of the method was checked by comparison to a conventional standard American Oil Chemists' Society (AOCS) titrimetric procedure, which provided good correlation (R = 0.99980), with an SD of +/- 0.05%. Therefore, the proposed method could be used as an alternate to the AOCS titrimetric method for the quantitative determination of FFAs especially in deodorizer distillates.

Advances in quantitative UV-visible spectroscopy for clinical and pre-clinical application in cancer.

Science.gov (United States)

Brown, J Quincy; Vishwanath, Karthik; Palmer, Gregory M; Ramanujam, Nirmala

2009-02-01

Methods of optical spectroscopy that provide quantitative, physically or physiologically meaningful measures of tissue properties are an attractive tool for the study, diagnosis, prognosis, and treatment of various cancers. Recent development of methodologies to convert measured reflectance and fluorescence spectra from tissue to cancer-relevant parameters such as vascular volume, oxygenation, extracellular matrix extent, metabolic redox states, and cellular proliferation have significantly advanced the field of tissue optical spectroscopy. The number of publications reporting quantitative tissue spectroscopy results in the UV-visible wavelength range has increased sharply in the past three years, and includes new and emerging studies that correlate optically measured parameters with independent measures such as immunohistochemistry, which should aid in increased clinical acceptance of these technologies.

Application of Terahertz Attenuated Total Reflection Spectroscopy to Detect Changes in the Physical Properties of Lactose during the Lubrication Process Required for Drug Formulation.

Science.gov (United States)

Dohi, Masafumi; Momose, Wataru; Yamashita, Kazunari; Hakomori, Tadashi; Sato, Shusaku; Noguchi, Shuji; Terada, Katsuhide

2017-02-01

Manufacturing the solid dosage form of an orally administered drug requires lubrication to enhance manufacturability, ensuring that critical quality attributes such as disintegration and dissolution of the drug product are maintained during manufacture. Here, to evaluate lubrication performance during manufacture, we used terahertz attenuated total reflection (THz-ATR) spectroscopy to detect differences in the physical characteristics of the lubricated powder. We applied a simple formulation prepared by blending granulated lactose as filler with magnesium stearate as lubricant. A flat tablet was prepared using the lubricated powder to acquire sharp THz-ATR absorption peaks of the samples. First, we investigated the effects of lubricant concentration and compression pressure on preparation of the tablet and then determined the effect of the pressure applied to samples in contact with the ATR prism on sample absorption amplitude. We focused on the differences in the magnitudes of spectra at the lactose-specific frequency. Second, we conducted the dynamic lubrication process using a 120-L mixer to investigate differences in the magnitudes of absorption corresponding to the lactose-specific frequency during lubrication. In both studies, enriching the lubricated powder with a higher concentration of magnesium stearate or prolonging blending time correlated with higher magnitudes of spectra at the lactose-specific frequency. Further, in the dynamic lubrication study, the wettability and disintegration time of the tablets were compared with the absorption spectra amplitudes at the lactose-specific frequency. We conclude that THz-ATR spectroscopy is useful for detecting differences in densities caused by a change in the physical properties of lactose during lubrication.

Forensic Hair Differentiation Using Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy.

Science.gov (United States)

Manheim, Jeremy; Doty, Kyle C; McLaughlin, Gregory; Lednev, Igor K

2016-07-01

Hair and fibers are common forms of trace evidence found at crime scenes. The current methodology of microscopic examination of potential hair evidence is absent of statistical measures of performance, and examiner results for identification can be subjective. Here, attenuated total reflection (ATR) Fourier transform-infrared (FT-IR) spectroscopy was used to analyze synthetic fibers and natural hairs of human, cat, and dog origin. Chemometric analysis was used to differentiate hair spectra from the three different species, and to predict unknown hairs to their proper species class, with a high degree of certainty. A species-specific partial least squares discriminant analysis (PLSDA) model was constructed to discriminate human hair from cat and dog hairs. This model was successful in distinguishing between the three classes and, more importantly, all human samples were correctly predicted as human. An external validation resulted in zero false positive and false negative assignments for the human class. From a forensic perspective, this technique would be complementary to microscopic hair examination, and in no way replace it. As such, this methodology is able to provide a statistical measure of confidence to the identification of a sample of human, cat, and dog hair, which was called for in the 2009 National Academy of Sciences report. More importantly, this approach is non-destructive, rapid, can provide reliable results, and requires no sample preparation, making it of ample importance to the field of forensic science. © The Author(s) 2016.

Feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS) to quantify iron-cyanide (Fe-CN) complexes in soil

Science.gov (United States)

Sut-Lohmann, Magdalena; Raab, Thomas

2017-04-01

Contaminated sites create a significant risk to human health, by poisoning drinking water, soil, air and as a consequence food. Continuous release of persistent iron-cyanide (Fe-CN) complexes from various industrial sources poses a high hazard to the environment and indicates the necessity to analyze considerable amount of samples. At the present time quantitative determination of Fe-CN concentration in soil usually requires a time consuming two step process: digestion of the sample (e.g., micro distillation system) and its analytical detection performed, e.g., by automated spectrophotometrical flow injection analysis (FIA). In order to determine the feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS) to quantify the Fe-CN complexes in soil matrix, 42 soil samples were collected (8 to 12.520 mg kg-1CN) indicating single symmetrical CN band in the range 2092 - 2084 cm-1. Partial least squares (PLS) calibration-validation model revealed IR response to CNtot exceeding 1268 mg kg-1 (limit of detection, LOD). Subsequently, leave-one-out cross-validation (LOO-CV) was performed on soil samples containing low CNtot (900 mg kg-1 resulted in LOD equal to 3494 mg kg-1. Our results indicate that spectroscopic data in combination with PLS statistics can efficiently be used to predict Fe-CN concentrations in soil. We conclude that the protocol applied in this study can strongly reduce the time and costs essential for the spatial and vertical screening of the site affected by complexed Fe-CN.

Raman Spectroscopy Differentiates Each Tissue From the Skin to the Spinal Cord: A Novel Method for Epidural Needle Placement?

Science.gov (United States)

Anderson, T. Anthony; Kang, Jeon Woong; Gubin, Tatyana; Dasari, Ramachandra R.; So, Peter T. C.

2016-01-01

BACKGROUND Neuraxial anesthesia and epidural steroid injection techniques require precise anatomical targeting to ensure successful and safe analgesia. Previous studies suggest that only some of the tissues encountered during these procedures can be identified by spectroscopic methods, and no previous study has investigated the use of Raman, diffuse reflectance, and fluorescence spectroscopies. The authors hypothesized that real-time needle-tip spectroscopy may aid epidural needle placement and tested the ability of spectroscopy to distinguish each of the tissues in the path of neuraxial needles. METHODS For comparison of detection methods, the spectra of individual, dissected ex vivo paravertebral and neuraxial porcine tissues were collected using Raman spectroscopy (RS), diffuse reflectance spectroscopy (DRS), and fluorescence spectroscopy (FS). Real-time spectral guidance was tested using a 2 mm inner diameter fiber optic probe-in-needle device. Raman spectra were collected during the needle’s passage through intact paravertebral and neuraxial porcine tissue and analyzed afterward. The RS tissue signatures were verified as mapping to individual tissue layers using histochemical staining and widefield microscopy. RESULTS Raman spectroscopy revealed a unique spectrum for all ex vivo paravertebral and neuraxial tissue layers; DRS and FS spectra were not distinct for all tissues. Moreover, when accounting for the expected order of tissues, real-time Raman spectra recorded during needle insertion also permitted identification of each paravertebral and neuraxial porcine tissue. CONCLUSIONS This study demonstrates Raman spectroscopy can distinguish the tissues encountered during epidural needle insertion. This technology may prove useful during needle placement by providing evidence of its anatomical localization. PMID:27466032

$\\beta$-decay studies using total-absorption spectroscopy

CERN Document Server

Algora, A; García-Borge, M J; Cano-Ott, D; Collatz, R; Courtin, S; Dessagne, P; Fraile-Prieto, L M; Gadea, A; Gelletly, W; Hellström, M; Janas, Z; Jungclaus, A; Kirchner, R; Karny, M; Le Scornet, G; Miehé, C; Maréchal, F; Moroz, F; Nacher, E; Poirier, E; Roeckl, E; Rubio, B; Rykaczewski, K; Taín, J L; Tengblad, O; Wittmann, V

2004-01-01

$\\beta$-decay experiments are a primary source of information for nuclear-structure studies and at the same time complementary to in- beam investigations of nuclei far from stability. Although both types of experiment are mainly based on $\\gamma$-ray spectroscopy, they face different experimental problems. The so-called " Pandemonium effect " is a critical problem in $\\beta$-decay if we are to test theoretically calculated transition probabilities. In this contribution we will present a solution to this problem using total absorption spectroscopy methods. We will also present some examples of experiments carried out with the Total Absorption Spectrometer (TAS) at GSI and describe a new device LUCRECIA recently installed at CERN.

Production of high temperature superconductors and characteristics by infrared and Raman spectroscopy

International Nuclear Information System (INIS)

Thomsen, C.

1991-01-01

This final report, which is partly kept short, is concerned with electron/phonon interaction and the determination of the band gap in high temperature superconductors (YBa 2 Cu 3 O 7 ). The final report is divided into four parts, which reflect the individual working groups: 1. Raman spectroscopy, 2. IR spectroscopy (reflection measurements, isotope effect, superconducting energy gap, behaviour of infrared active phonons), 3. Magnetic field measurements, and 4. Theory (initial calculation of the metal/isolator transfer in BaBiO 3 ). (MM) [de

Incorporation of Trace Elements in Ancient and Modern Human Bone: An X-Ray Absorption Spectroscopy Study

Science.gov (United States)

Pingitore, N. E.; Cruz-Jimenez, G.; Price, T. D.

2001-12-01

X-ray absorption spectroscopy (XAS) affords the opportunity to probe the atomic environment of trace elements in human bone. We are using XAS to investigate the mode(s) of incorporation of Sr, Zn, Pb, and Ba in both modern and ancient (and thus possibly altered) human and animal bone. Because burial and diagenesis may add trace elements to bone, we performed XAS analysis on samples of pristine contemporary and ancient, buried human and animal bone. We assume that deposition of these elements during burial occurs by processes distinct from those in vivo, and this will be reflected in their atomic environments. Archaeologists measure strontium in human and animal bone as a guide to diet. Carnivores show lower Sr/Ca ratios than their herbivore prey due to discrimination against Sr relative to Ca up the food chain. In an initial sample suite no difference was observed between modern and buried bone. Analysis of additional buried samples, using a more sensitive detector, revealed significant differences in the distance to the second and third neighbors of the Sr in some of the buried samples. Distances to the first neighbor, oxygen, were similar in all samples. Zinc is also used in paleo-diet studies. Initial x-ray absorption spectroscopy of a limited suite of bones did not reveal any differences between modern and buried samples. This may reflect the limited number of samples examined or the low levels of Zn in typical aqueous solutions in soils. Signals from barium and lead were too low to record useful XAS spectra. Additional samples will be studied for Zn, Ba, and Pb. We conducted our XAS experiments on beam lines 4-1 and 4-3 at the Stanford Synchrotron Radiation Laboratory. Data were collected in the fluorescence mode, using a Lytle detector and appropriate filter, and a solid state, 13-element Ge-detector.

Multispectral detection of cutaneous lesions using spectroscopy and microscopy approaches

Science.gov (United States)

Borisova, E.; Genova-Hristova, Ts.; Troyanova, P.; Pavlova, E.; Terziev, I.; Semyachkina-Glushkovskaya, O.; Lomova, M.; Genina, E.; Stanciu, G.; Tranca, D.; Avramov, L.

2018-02-01

Autofluorescence, diffuse-reflectance and transmission spectral, and microscopic measurements were made on different cutaneous neoplastic lesions, namely basal cell carcinoma, squamous cell carcinoma, malignant melanoma, and dysplastic and benign lesions related. Spectroscopic measurements were made on ex vivo tissue samples, and confocal microscopy investigations were made on thin tissue slices. Fluorescence spectra obtained reveal statistically significant differences between the different benign, dysplastic and malignant lesions by the level of emission intensity, as well by spectral shape, which are fingerprints applicable for differentiation algorithms. In reflectance mode the most significant differences are related to the influence of skin pigments - melanin and hemoglobin. Transmission spectroscopy mode gave complementary optical properties information about the tissue samples investigated to that one of reflectance and absorption spectroscopy. Using autofluorescence detection of skin lesions we obtain very good diagnostic performance for distinguishing of nonmelanoma lesions. Using diffuse reflectance and transmission spectroscopy we obtain significant tool for pigmented pathologies differentiation, but it is a tool with moderate sensitivity for non-melanoma lesions detection. One could rapidly increase the diagnostic accuracy of the received combined "optical biopsy" method when several spectral detection techniques are applied in common algorithm for lesions' differentiation. Specific spectral features observed in each type of lesion investigated on micro and macro level would be presented and discussed. Correlation between the spectral data received and the microscopic features observed would be discussed in the report.

Study of wide band-gap crystal LiCaAlF6 by IR-reflection spectroscopy and ab initio calculations

International Nuclear Information System (INIS)

Novikova, N.N.; Klimin, S.A.; Mavrin, B.N.

2017-01-01

Polarized IR-reflection spectra and results of ab initio calculations of vibrational and electronic properties of LiCaAlF6 single crystal are presented. It is shown that the crystal band gap is direct. Experimental and theoretical parameters are obtained for dipole-active and all phonons, respectively, including silent modes. Experimental IR-reflection and Raman spectra are well described in the frame of results obtained by ab initio calculations. The peculiarities are discussed concerning the structure of electronic bands, the interatomic interactions, the character of lattice vibrations, and the phonon dispersion.

Time evolution studies of laser induced chemical changes in InAs nanowire using Raman spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Pal, Suparna; Aggarwal, R.; Kumari Gupta, Vandna; Ingale, Alka [Laser Physics Application Section, Raja Ramanna Centre for Advanced Technology, Indore 452013, MP (India)

2014-07-07

We report the study of time evolution of chemical changes on the surface of an InAs nanowire (NW) on laser irradiation in different power density regime, using Raman spectroscopy for a time span of 8–16 min. Mixture of metastable oxides like InAsO{sub 4,} As{sub 2}O{sub 3} are formed upon oxidation, which are reflected as sharp Raman peaks at ∼240–254 and 180–200 cm{sup −1}. Evidence of removal of arsenic layer by layer is also observed at higher power density. Position controlled laser induced chemical modification on a nanometer scale, without changing the core of the NW, can be useful for NW based device fabrication.

Detection of premature browning in ground beef with an integrated optical-fibre based sensor using reflection spectroscopy and fibre Bragg grating technology

International Nuclear Information System (INIS)

O'Farrell, M; Sheridan, C; Lewis, E

2007-01-01

This paper reports on an optical fibre based sensor system to detect the occurrence of premature browning in ground beef. Premature browning (PMB) occurs when, at a temperature below the pasteurisation temperature of 71 deg. C, there are no traces of pink meat left in the patty. PMB is more frequent if poorer quality beef or beef that has been stored under imperfect conditions. The experimental work pertaining to this paper involved cooking fresh meat and meat that has been stored in a freezer for, 1 week, 1 month and 3 months and recording the reflected spectra and temperature at the core of the product, during the cooking process, in order to develop a classifier based on the spectral response and using a Self-Organising Map (SOM) to classify the patties into one of four categories, based on their colour. Further tests were also carried out on developing an all-optical fibre sensor for measuring both the temperature and colour in a single integrated probe. The integrated probe contains two different sensor concepts, one to monitor temperature, based on Fibre Bragg Grating (FBG) technology and a second for meat quality, based on reflection spectroscopy in the visible wavelength range

Modeling and Forecasting of Depletion of Additives in Car Engine Oils Using Attenuated Total Reflectance Fast Transform Infrared Spectroscopy

Directory of Open Access Journals (Sweden)

Ronald Nguele

2014-11-01

Full Text Available On average, additives make up to 7% of a typical lubricant base. Commonly, they are blended with lube oils to enhance specific features thereby improving their qualities. Ultimately, additives participate in the performance of car engine oils. Using an analytical tool, attenuated total reflectance fast transform infrared spectroscopy, various grades of car engine oils, at different mileages, were analyzed. Sulfate oxidation and wear were found to trigger chemical processes which, in the long run, cause lubricant degradation while carbonyl oxidation was observed to occur only at a slow rate. Based upon data obtained from infrared spectra and using a curve fitting technique, mathematical equations predicting the theoretical rates of chemical change due to the aforementioned processes were examined. Additive depletions were found to obey exponential regression rather than polynomial. Moreover, breakpoint (breakpoint is used here to denote the initiation of deterioration of additives and critical mileage (critical mileage defines the distance at which the lubricant is chemically unusable of both samples were determined.

Study of optical and electronic properties of nickel from reflection electron energy loss spectra

Science.gov (United States)

Xu, H.; Yang, L. H.; Da, B.; Tóth, J.; Tőkési, K.; Ding, Z. J.

2017-09-01

We use the classical Monte Carlo transport model of electrons moving near the surface and inside solids to reproduce the measured reflection electron energy-loss spectroscopy (REELS) spectra. With the combination of the classical transport model and the Markov chain Monte Carlo (MCMC) sampling of oscillator parameters the so-called reverse Monte Carlo (RMC) method was developed, and used to obtain optical constants of Ni in this work. A systematic study of the electronic and optical properties of Ni has been performed in an energy loss range of 0-200 eV from the measured REELS spectra at primary energies of 1000 eV, 2000 eV and 3000 eV. The reliability of our method was tested by comparing our results with the previous data. Moreover, the accuracy of our optical data has been confirmed by applying oscillator strength-sum rule and perfect-screening-sum rule.

Determinação não destrutiva do nitrogênio total em plantas por espectroscopia de reflectância difusa no infravermelho próximo Non-destructive determination of total nitrogen in plants by diffuse reflectance near infrared spectroscopy

Directory of Open Access Journals (Sweden)

Kássio M. G. Lima

2008-01-01

Full Text Available Diffuse reflectance near-infrared (DR-NIR spectroscopy associated with partial least squares (PLS multivariate calibration is proposed for a direct, non-destructive, determination of total nitrogen in wheat leaves. The procedure was developed for an Analytical Instrumental Analysis course, carried out at the Institute of Chemistry of the State University of Campinas. The DR-NIR results are in good agreement with those obtained by the Kjeldhal standard procedure, with a relative error of less than ± 3% and the method may be used for teaching purposes as well as for routine analysis.

Implementation of 350-2500 nm diffuse reflectance spectroscopy and High-Performance Thin-Layer Chromatography to rapidly assess manufacturing consistency and quality of cotrimoxazole tablets in Tanzania.

Science.gov (United States)

Kaale, Eliangiringa; Hope, Samuel M; Jenkins, David; Layloff, Thomas

2016-01-01

To assess the quality of cotrimoxazole tablets produced by a Tanzanian manufacturer by a newly instituted quality assurance programme. Tablets underwent a diffuse reflectance spectroscopy procedure with periodic quality assessment confirmation by assay and dissolution testing using validated HPTLC techniques (including weight variation and disintegration evaluations). Based on results from the primary test methods, the first group of product was 99% compliance. This approach provides a model for rapidly assuring product quality of future procurements of other products that is more cost-effective than traditional pharmaceutical testing techniques. © 2015 John Wiley & Sons Ltd.

Cavity-enhanced Raman spectroscopy with optical feedback cw diode lasers for gas phase analysis and spectroscopy.

Science.gov (United States)

Salter, Robert; Chu, Johnny; Hippler, Michael

2012-10-21

A variant of cavity-enhanced Raman spectroscopy (CERS) is introduced, in which diode laser radiation at 635 nm is coupled into an external linear optical cavity composed of two highly reflective mirrors. Using optical feedback stabilisation, build-up of circulating laser power by 3 orders of magnitude occurs. Strong Raman signals are collected in forward scattering geometry. Gas phase CERS spectra of H(2), air, CH(4) and benzene are recorded to demonstrate the potential for analytical applications and fundamental molecular studies. Noise equivalent limits of detection in the ppm by volume range (1 bar sample) can be achieved with excellent linearity with a 10 mW excitation laser, with sensitivity increasing with laser power and integration time. The apparatus can be operated with battery powered components and can thus be very compact and portable. Possible applications include safety monitoring of hydrogen gas levels, isotope tracer studies (e.g., (14)N/(15)N ratios), observing isotopomers of hydrogen (e.g., radioactive tritium), and simultaneous multi-component gas analysis. CERS has the potential to become a standard method for sensitive gas phase Raman spectroscopy.

CO 2 Capture Capacity and Swelling Measurements of Liquid-like Nanoparticle Organic Hybrid Materials via Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

KAUST Repository

Park, Youngjune

2012-01-12

Novel nanoparticle organic hybrid materials (NOHMs), which are comprised of organic oligomers or polymers tethered to an inorganic nanosized cores of various sizes, have been synthesized, and their solvating property for CO 2 was investigated using attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy. Simultaneous measurements of CO 2 capture capacity and swelling behaviors of polyetheramine (Jeffamine M-2070) and its corresponding NOHMs (NOHM-I-PE2070) were reported at temperatures of (298, 308, 323 and 353) K and CO 2 pressure conditions ranging from (0 to 5.5) MPa. The polymeric canopy, or polymer bound to the nanoparticle surface, showed significantly less swelling behavior with enhanced or comparable CO 2 capture capacity compared to pure unbound polyetheramine. © 2011 American Chemical Society.

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

Science.gov (United States)

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

2018-01-09

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.

Study of Kerogen Maturity using Transmission Fourier Transform Infrared Spectroscopy (FTIR)

Science.gov (United States)

Dang, S. T.

2014-12-01

Maturity of kerogen in shale governs the productivity and generation hydrocarbon type. There are generally two accepted methods to measure kerogen maturity; one is the measurement of vitrinite reflectance, %Ro, and another is the measurement of Tmax through pyrolysis. However, each of these techniques has its own limits; vitrinite reflectance measurement cannot be applied to marine shale and pre-Silurian shales, which lack plant materials. Furthermore, %Ro, requires the isolation and identification of vitrinite macerals and statistical measurements of at least 50 macerals. Tmax measurement is questionable for mature and post-mature samples. In addition, there are questions involving the effects of solvents on Tmax determinations. Fourier Transmission Infrared Spectroscopy, FTIR, can be applied for both qualitative and quantitative assessment on organics maturity in shale. The technique does not require separating organic matter or identifying macerals. A CH2/CH3 index, RCH, calculated from FTIR spectra is more objective than other measurements. The index increases with maturity (both natural maturation and synthetic maturation through hydrous and dry pyrolysis). The new maturity index RCH can be calibrated to vitrinite reflectance which allows the definition of the following values for levels of maturity: 1) immature—RCH > 1.6±0.2; 2) oil window-- 1.6±0.2 1.3±0.3; 3) wet gas window--1.3±0.3 1.13±0.05; and 4) dry gas window RCH < 1.13±0.05.

A Catalytic Path for Electrolyte Reduction in Lithium-Ion Cells Revealed by in Situ Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy

KAUST Repository

Shi, Feifei; Ross, Philip N.; Zhao, Hui; Liu, Gao; Somorjai, Gabor A.; Komvopoulos, Kyriakos

2015-01-01

© 2015 American Chemical Society. Although controlling the interfacial chemistry of electrodes in Li-ion batteries (LIBs) is crucial for maintaining the reversibility, electrolyte decomposition has not been fully understood. In this study, electrolyte decomposition on model electrode surfaces (Au and Sn) was investigated by in situ attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy. Simultaneously obtained ATR-FTIR spectra and cyclic voltammetry measurements show that lithium ethylene dicarbonate and lithium propionate form on the Au electrode at 0.6 V, whereas diethyl 2,5-dioxahexane dicarboxylate and lithium propionate form on the Sn electrode surface at 1.25 V. A noncatalytic reduction path on the Au surface and a catalytic reduction path on the Sn surface are introduced to explain the surface dependence of the overpotential and product selectivity. This represents a new concept for explaining electrolyte reactions on the anode of LIBs. The present investigation shows that catalysis plays a dominant role in the electrolyte decomposition process and has important implications in electrode surface modification and electrolyte recipe selection, which are critical factors for enhancing the efficiency, durability, and reliability of LIBs.

A Catalytic Path for Electrolyte Reduction in Lithium-Ion Cells Revealed by in Situ Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy

KAUST Repository

Shi, Feifei

2015-03-11

© 2015 American Chemical Society. Although controlling the interfacial chemistry of electrodes in Li-ion batteries (LIBs) is crucial for maintaining the reversibility, electrolyte decomposition has not been fully understood. In this study, electrolyte decomposition on model electrode surfaces (Au and Sn) was investigated by in situ attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy. Simultaneously obtained ATR-FTIR spectra and cyclic voltammetry measurements show that lithium ethylene dicarbonate and lithium propionate form on the Au electrode at 0.6 V, whereas diethyl 2,5-dioxahexane dicarboxylate and lithium propionate form on the Sn electrode surface at 1.25 V. A noncatalytic reduction path on the Au surface and a catalytic reduction path on the Sn surface are introduced to explain the surface dependence of the overpotential and product selectivity. This represents a new concept for explaining electrolyte reactions on the anode of LIBs. The present investigation shows that catalysis plays a dominant role in the electrolyte decomposition process and has important implications in electrode surface modification and electrolyte recipe selection, which are critical factors for enhancing the efficiency, durability, and reliability of LIBs.

Characterization of superconducting thin films by infrared reflection

International Nuclear Information System (INIS)

Gervais, F.

1988-01-01

Infrared reflectivity spectroscopy is shown to be a powerful tool to characterize the new high-Tc oxide superconductors since it gives information about the superconducting gap, phonons, plasmon and possibly low-energy electronic excitations such as excitons, information relevant to understand the mechanism of superconductivity [fr

Vibrational and electronic spectroscopy of ion-implantation-induced defects in fused silica and crystalline quartz

International Nuclear Information System (INIS)

Arnold, G.W.

1978-01-01

Defects produced by implantation of various atomic species in fused and crystalline SiO 2 were studied using infrared reflection spectroscopy (IRS) with UV-visible spectroscopy. We observe a new vibrational band at 830 cm -1 which is tentatively associated with the creation of two nonbridging O atoms in SiO 4 units. Numerous chemical effects were also observed, including evidence for chemical incorporation of Li and anomalously large O-vacancy production for Al + , B + and Si + implantation

Classification of pumpkin seed oils according to their species and genetic variety by attenuated total reflection Fourier-transform infrared spectroscopy.

Science.gov (United States)

Saucedo-Hernández, Yanelis; Lerma-García, María Jesús; Herrero-Martínez, José Manuel; Ramis-Ramos, Guillermo; Jorge-Rodríguez, Elisa; Simí-Alfonso, Ernesto F

2011-04-27

Attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR), followed by multivariate treatment of the spectral data, was used to classify seed oils of the genus Cucurbita (pumpkins) according to their species as C. maxima, C. pepo, and C. moschata. Also, C. moschata seed oils were classified according to their genetic variety as RG, Inivit C-88, and Inivit C-2000. Up to 23 wavelength regions were selected on the spectra, each region corresponding to a peak or shoulder. The normalized absorbance peak areas within these regions were used as predictors. Using linear discriminant analysis (LDA), an excellent resolution among all categories concerning both Cucurbita species and C. moschata varieties was achieved. The proposed method was straightforward and quick and can be easily implemented. Quality control of pumpkin seed oils is important because Cucurbita species and genetic variety are both related to the pharmaceutical properties of the oils.

Investigation on H-containing shallow trap of hydrogenated TiO2 with in situ Fourier transform infrared diffuse reflection spectroscopy.

Science.gov (United States)

Han, Bing; Hang Hu, Yun

2017-07-28

A novel technique, high temperature high pressure in situ Fourier transform infrared diffuse reflection spectroscopy, was successfully used to investigate the formation and stability of shallow trap states in P25 TiO 2 nanoparticles. Two types of shallow traps (with and without H atoms) were identified. The H-containing shallow trap can be easily generated by heating in H 2 atmosphere. However, the trap is unstable in vacuum at 600 °C. In contrast, the H-free shallow trap, which can be formed by heating in vacuum, is stable even at 600 °C. The energy gaps between shallow trap states and the conduction band are 0.09 eV for H-containing shallow trap and 0.13 eV for H-free shallow trap, indicating that the H-containing shallow trap state is closer to the conduction band than that without H.

Prediction of water content in game trophies by near infrared reflectance spectroscopy

Czech Academy of Sciences Publication Activity Database

Kamler, Jiří; Dvořák, J.

2007-01-01

Roč. 15, č. 6 (2007), s. 401-404 ISSN 0967-0335 R&D Projects: GA ČR GP206/03/P134 Institutional research plan: CEZ:AV0Z60930519 Keywords : bone * NIR spectroscopy * roe deer * moisture Subject RIV: GK - Forestry Impact factor: 1.218, year: 2007

Extreme Ultraviolet Bragg mirrors with suppressed infrared reflectivity properties

NARCIS (Netherlands)

Medvedev, Viacheslav; Yakshin, Andrey; Louis, Eric; van de Kruijs, Robbert Wilhelmus Elisabeth; van den Boogaard, Toine; Krivtsun, V.M.; Yakinun, A.M.; Bijkerk, Frederik

2013-01-01

Many optical applications demand high reflectivity in a particular wavelength range while simultaneously requiring suppression of radiation outside this range. Such parasitic radiation can for instance lead to image distortions in imaging applications or poor signal-noise ratios in spectroscopy. The

Extreme Ultraviolet Bragg mirrors with suppressed infrared reflectivity properties

NARCIS (Netherlands)

Medvedev, Viacheslav; Yakshin, Andrey; Louis, Eric; van de Kruijs, Robbert Wilhelmus Elisabeth; van den Boogaard, Toine; Krivtsun, V.M.; Yakunin, A.M.; Bijkerk, Frederik

2012-01-01

Many optical applications demand high reflectivity in a particular wavelength range while simultaneously requiring suppression of radiation outside this range. Such parasitic radiation can for instance lead to image distortions in imaging applications or poor signal-noise ratios in spectroscopy. The

Adsorption of benzyldimethylhexadecylammonium chloride at the hydrophobic silica-water interface studied by total internal reflection Raman spectroscopy: effects of silica surface properties and metal salt addition.

Science.gov (United States)

Grenoble, Zlata; Baldelli, Steven

2013-08-29

The adsorption of the cationic surfactant benzyldimethylhexadecylammonium (BDMHA(+)) chloride was studied at an octadecyltrichlorosilane (OTS)-monolayer-modified silica-water interface by Raman spectroscopy in total internal reflection (TIR) geometry. The present study demonstrates the capabilities of this spectroscopic technique to evaluate thermodynamic and kinetic BDMHA(+)Cl(-) adsorption properties at the hydrophobic silica surface. The surface coverage of BDMHA(+) decreased by 50% at the hydrophobic OTS-silica surface relative to the surface coverage on bare silica; the dominating driving mechanisms for surfactant adsorption were identified as hydrophobic effects and head group charge screening by the electrolyte counterions. Addition of magnesium metal salt (MgCl2) to the aqueous solution (∼ neutral pH) lowered the surface coverage and moderately increased the Langmuir adsorption constants relative to those of the pure surfactant. These trends were previously observed at the hydrophilic, negatively charged silica surface but with a smaller change in the Gibbs free energy of adsorption at the hydrophobic silica surface. The hydrophobic OTS-silica surface properties resulted in shorter times for the surfactant to reach steady-state adsorption conditions compared to the slow adsorption kinetics previously seen with the surfactant at the hydrophilic surface. Adsorption isotherms, based on Raman signal intensities from spectral analysis, were developed according to the Langmuir adsorption model for the pure surfactant at the OTS-silica-water interface; the modified Langmuir model was applied to the surfactant adsorption in the presence of 5, 10, 50, and 100 mM magnesium chloride. Spectral analysis of the Raman scattering intensities and geometric considerations suggests a hemimicelle-type surface aggregate as the most likely surfactant structure at the OTS-silica surface. The different kinetics observed at the hydrophilic versus the hydrophobic silica surface

THz time domain spectroscopy of biomolecular conformational modes

International Nuclear Information System (INIS)

Markelz, Andrea; Whitmire, Scott; Hillebrecht, Jay; Birge, Robert

2002-01-01

We discuss the use of terahertz time domain spectroscopy for studies of conformational flexibility and conformational change in biomolecules. Protein structural dynamics are vital to biological function with protein flexibility affecting enzymatic reaction rates and sensory transduction cycling times. Conformational mode dynamics occur on the picosecond timescale and with the collective vibrational modes associated with these large scale structural motions in the 1-100 cm -1 range. We have performed THz time domain spectroscopy (TTDS) of several biomolecular systems to explore the sensitivity of TTDS to distinguish different molecular species, different mutations within a single species and different conformations of a given biomolecule. We compare the measured absorbances to normal mode calculations and find that the TTDS absorbance reflects the density of normal modes determined by molecular mechanics calculations, and is sensitive to both conformation and mutation. These early studies demonstrate some of the advantages and limitations of using TTDS for the study of biomolecules

Determination of nutritional parameters of yoghurts by FT Raman spectroscopy

Science.gov (United States)

Czaja, Tomasz; Baranowska, Maria; Mazurek, Sylwester; Szostak, Roman

2018-05-01

FT-Raman quantitative analysis of nutritional parameters of yoghurts was performed with the help of partial least squares models. The relative standard errors of prediction for fat, lactose and protein determination in the quantified commercial samples equalled to 3.9, 3.2 and 3.6%, respectively. Models based on attenuated total reflectance spectra of the liquid yoghurt samples and of dried yoghurt films collected with the single reflection diamond accessory showed relative standard errors of prediction values of 1.6-5.0% and 2.7-5.2%, respectively, for the analysed components. Despite a relatively low signal-to-noise ratio in the obtained spectra, Raman spectroscopy, combined with chemometrics, constitutes a fast and powerful tool for macronutrients quantification in yoghurts. Errors received for attenuated total reflectance method were found to be relatively higher than those for Raman spectroscopy due to inhomogeneity of the analysed samples.

Library search with regular reflectance IR spectra

International Nuclear Information System (INIS)

Staat, H.; Korte, E.H.; Lampen, P.

1989-01-01

Characterisation in situ for coatings and other surface layers is generally favourable, but a prerequisite for precious items such as art objects. In infrared spectroscopy only reflection techniques are applicable here. However for attenuated total reflection (ATR) it is difficult to obtain the necessary optical contact of the crystal with the sample, when the latter is not perfectly plane or flexible. The measurement of diffuse reflectance demands a scattering sample and usually the reflectance is very poor. Therefore in most cases one is left with regular reflectance. Such spectra consist of dispersion-like feature instead of bands impeding their interpretation in the way the analyst is used to. Furthermore for computer search in common spectral libraries compiled from transmittance or absorbance spectra a transformation of the reflectance spectra is needed. The correct conversion is based on the Kramers-Kronig transformation. This somewhat time - consuming procedure can be speeded up by using appropriate approximations. A coarser conversion may be obtained from the first derivative of the reflectance spectrum which resembles the second derivative of a transmittance spectrum. The resulting distorted spectra can still be used successfully for the search in peak table libraries. Experiences with both transformations are presented. (author)

A Complex Approach to Noninvasive Estimation of Microcirculatory Tissue Impairments in Feet of Patients with Diabetes Mellitus using Spectroscopy

Science.gov (United States)

Potapova, E. V.; Dremin, V. V.; Zherebtsov, E. A.; Makovik, I. N.; Zharkikh, E. V.; Dunaev, A. V.; Pilipenko, O. V.; Sidorov, V. V.; Krupatkin, A. I.

2017-12-01

The possibility of a complex approach for studying changes in the system of blood microcirculation and metabolic processes in the biotissue of lower extremities using optical noninvasive methods of laser doppler flowmetry (LDF), fluorescence spectroscopy, and diffuse reflectance spectroscopy in combination with different modes of heating tests has been assessed. Seventy-six patients with type 2 diabetes mellitus, with 14 patients having visible trophic foot impairments, and 48 healthy volunteers have been examined. The parameters of LDF signals and spectra of fluorescence intensity and diffuse reflectance for foot skin have been analyzed. Statistically significant differences in the recorded parameters between the groups under study have been found. It has been concluded that combined application of noninvasive methods of spectroscopy could be used for diagnostics of complications both upon the occurrence of preliminary symptoms of diabetes, when pathological changes are still reversible, and in the presence of impairments to prevent aggravation of the disease and select an adequate correction of the treatment.

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

Energy Technology Data Exchange (ETDEWEB)

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

1996-10-01

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

Application of FTIR-ATR Spectroscopy for the quality control of wine spirits, brandies and grape marc spirits

OpenAIRE

Anjos, O.; Caldeira, I.

2013-01-01

This study attempted to apply a rapid method for the determination of methanol, acetaldehyde and ethyl acetate in wine spirits, brandies and grape marc spirits, using Fourier Transform Infrared – Attenuated Total Reflectance (ATR) Spectroscopy.

Positron annihilation spectroscopy in materials structure studies

International Nuclear Information System (INIS)

Grafutin, Viktor I; Prokop'ev, Evgenii P

2002-01-01

A relatively new method of materials structure analysis - positron annihilation spectroscopy (PAS) - is reviewed. Measurements of positron lifetimes, the determination of positron 3γ- and 2γ-annihilation probabilities, and an investigation of the effects of different external factors on the fundamental characteristics of annihilation constitute the basis for this promising method. The ways in which the positron annihilation process operates in ionic crystals, semiconductors, metals and some condensed matter systems are analyzed. The scope of PAS is described and its prospects for the study of the electronic and defect structures are discussed. The applications of positron annihilation spectroscopy in radiation physics and chemistry of various substances as well as in physics and chemistry of solutions are exemplified. (instruments and methods of investigation)

Predicting foliar biochemistry of tea (Camellia sinensis) using reflectance spectra measured at powder, leaf and canopy levels

NARCIS (Netherlands)

Bian, B.M.; Skidmore, A.K.; Schlerf, M.; Wang, T.; Liu, X.; Zeng, R.; Fei, T.

2013-01-01

Some biochemical compounds are closely related with the quality of tea (Camellia sinensis (L.)). In this study, the concentration of these compounds including total tea polyphenols, free amino acids and soluble sugars were estimated using reflectance spectroscopy at three different levels: powder,

Accessibility of nucleic acid-complexed biomolecules to hydroxyl radicals correlates with their conformation: a fluorescence polarization spectroscopy study

International Nuclear Information System (INIS)

Makrigiorgos, G.M.; Bump, E.; Huang, C.; Kassis, A.I.; Baranowska-Kortylewicz, J.

1994-01-01

A fluorescence methodology has been developed to examine the relationship between the conformational state of specific biomolecules in simple chromatin models and their accessibility to hydroxyl radicals ( . OH). Polylysine and histone H1 were labelled with SECCA, the succinimidyl ester of coumarin-3-carboxylic acid, which generates the fluorescent derivative 7-OH-SECCA following its interaction with radiation-induced . OH in aqueous solution. The fluorescence induced per unit γ-ray dose reflecting the accessibility of . OH to such SECCA-conjugated biomolecules was recorded. The biomolecules were also labelled with the fluorescent derivative 7-OH-SECCA in trace amounts to study their conformation under identical conditions via fluorescence polarization spectroscopy. (author)

Room-temperature near-field reflection spectrocopy of semiconductor nanostructures

DEFF Research Database (Denmark)

Langbein, Wolfgang; Hvam, Jørn Märcher; Madsen, Steen

1999-01-01

We investigate the properties of near-field reflection spectroscopy in different polarization and detection modes using uncoated fiber probes. The results show, that cross-polarized detection suppresses to a large extent far-field contributions. Using the fiber dithering as a modulation source fo...

Electrochemical, atomic force microscopy and infrared reflection absorption spectroscopy studies of pre-formed mussel adhesive protein films on carbon steel for corrosion protection

Energy Technology Data Exchange (ETDEWEB)

Zhang, Fan, E-mail: fanzhang@kth.se [KTH Royal Institute of Technology, School of Chemical Science and Engineering, Department of Chemistry, Div. of Surface and Corrosion Science, Drottning Kristinas vaeg.51, SE-100 44 Stockholm (Sweden); Pan, Jinshan [KTH Royal Institute of Technology, School of Chemical Science and Engineering, Department of Chemistry, Div. of Surface and Corrosion Science, Drottning Kristinas vaeg.51, SE-100 44 Stockholm (Sweden); Claesson, Per Martin [KTH Royal Institute of Technology, School of Chemical Science and Engineering, Department of Chemistry, Div. of Surface and Corrosion Science, Drottning Kristinas vaeg.51, SE-100 44 Stockholm (Sweden); Institute for Surface Chemistry, P.O. Box 5607, SE-114 86 Stockholm (Sweden); Brinck, Tore [KTH Royal Institute of Technology, School of Chemical Science and Engineering, Department of Physical Chemistry, Division of Physical Chemistry, Teknikringen 36, SE-10044 Stockholm (Sweden)

2012-10-01

Electrochemical measurements, in situ and ex situ atomic force microscopy (AFM) experiments and infrared reflection absorption spectroscopy (IRAS) analysis were performed to investigate the formation and stability as well as corrosion protection properties of mussel adhesive protein (Mefp-1) films on carbon steel, and the influence of cross-linking by NaIO{sub 4} oxidation. The in situ AFM measurements show flake-like adsorbed protein aggregates in the film formed at pH 9. The ex situ AFM images indicate multilayer-like films and that the film becomes more compact and stable in NaCl solution after the cross-linking. The IRAS results reveal the absorption bands of Mefp-1 on carbon steel before and after NaIO{sub 4} induced oxidation of the pre-adsorbed protein. Within a short exposure time, a certain corrosion protection effect was noted for the pre-formed Mefp-1 film in 0.1 M NaCl solution. Cross-linking the pre-adsorbed film by NaIO{sub 4} oxidation significantly enhanced the protection efficiency by up to 80%. - Highlights: Black-Right-Pointing-Pointer Mussel protein was tested as 'green' corrosion protection strategy for steel. Black-Right-Pointing-Pointer At pH 9, the protein adsorbs on carbon steel and forms a multilayer-like film. Black-Right-Pointing-Pointer NaIO{sub 4} leads to structural changes and cross-linking of the protein film. Black-Right-Pointing-Pointer Cross-linking results in a dense and compact film with increased stability. Black-Right-Pointing-Pointer Cross-linking of preformed film significantly enhances the corrosion protection.

On the origin of reflectance-anisotropy oscillations during GaAs (0 0 1) homoepitaxy

Science.gov (United States)

Ortega-Gallegos, J.; Guevara-Macías, L. E.; Ariza-Flores, A. D.; Castro-García, R.; Lastras-Martínez, L. F.; Balderas-Navarro, R. E.; López-Estopier, R. E.; Lastras-Martínez, A.

2018-05-01

We report on the first spectroscopic study of reflectance-anisotropy (RA) oscillations during molecular beam epitaxy (MBE) GaAs homoepitaxy. Real-time RA spectra measured during epitaxial growth were carried out with a recently developed rapid RA multichannel spectrometer with 100 ms per spectrum acquisition time. An analysis of the time-resolved RA spectra shows that RA oscillations are mostly due to the periodic modulation of the surface orthorhombic strain associated to surface reconstruction. Results reported here demonstrate the power of real-time RA spectroscopy as a probe for the study of epitaxial growth processes. In particular, given its sub monolayer surface-strain sensitivity, RA spectroscopy results a very convenient tool to study epitaxial growth mechanisms in real-time with sub monolayer resolution. This capability allows for real-time RA spectroscopy to be used as a probe for the in situ, real-time control of epitaxial growth, with the additional advantage of operating in higher pressure systems such as CVD, where RHEED monitoring cannot be implemented.

Study of tin amalgam mirrors by {sup 119}Sn Mössbauer spectroscopy and other analytical methods

Energy Technology Data Exchange (ETDEWEB)

Lerf, A. [Bavarian Academy of Sciences, Walther Meißner Institute (Germany); Wagner, F. E., E-mail: fwagner@tum.de [Technical University of Munich, Physics Department E15 (Germany); Herrera, L. K. [Universidad Nacional de Colombia. Dpto. de Ingeniería Mecánica y Mecatrónica (Colombia); Justo, A.; Mu noz-Páez, A.; Pérez-Rodríguez, J. L. [University of Sevilla-CSIC, ICMSE (Spain)

2016-12-15

From the beginning of the 16 {sup th} until the end of the 19 {sup th} century the most widely used mirrors consisted of a pane of glass backed with a reflecting layer of tin-mercury amalgam. They were made by sliding the glass pane over a tin foil covered with liquid mercury. After removal of the superfluous mercury, tin amalgam formed slowly at ambient temperature and yielded a reflecting layer adhering to the surface of the glass. Such mirrors often deteriorate in the course of time by oxidation of the tin in the amalgam to stannous or stannic oxide. {sup 119}Sn Mössbauer spectroscopy, scanning electron microscopy, micro-XRF and X-ray diffraction have been used to study this deterioration process. The studied specimens were a modern mirror made for the reconstruction of the Green Vault in Dresden in the early 2000s, two rather well preserved German mirrors from the 17 {sup th} and 19 {sup th} centuries and several strongly deteriorated specimens of Baroque mirrors from the south of Spain. The modern mirror consists mainly of a Sn{sub 0.9}Hg{sub 0.1} amalgam with only 2 % of SnO{sub 2}. The older German mirrors showed more pronounced oxidation, containing 12 and 15 % of SnO{sub 2}, which did not noticeably impair their reflectivity. In the samples from the Spanish mirrors at best a few percent of metallic phase was left. The majority of the tin had oxidised to SnO{sub 2}, but between 8 and 20 % of the tin was present as SnO. X-ray diffraction yielded similar results and micro-XRF mapping using synchrotron radiation for excitation gave information on the distribution of Sn and Hg in the reflecting layer of the mirrors.

Study on the prediction of soil heavy metal elements content based on visible near-infrared spectroscopy

Science.gov (United States)

Liu, Jinbao; Zhang, Yang; Wang, Huanyuan; Du, Yichun

2018-06-01

The estimation of soils heavy metal content can reflect the impending surroundings of surface, which lays theoretical foundation for using covered vegetation to monitor environment and investigate resource. In this study, the contents of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb in 44 soil samples were collected from Fufeng County, Yangling County and Wugong County, Shaanxi Province and were used as data sources. ASD FieldSpec HR (350-2500 nm), and then the NOR, MSC and SNV of the reflectance were pretreated, the first deviation, second deviation and reflectance reciprocal logarithmic transformation were carried out. The optimal spectroscopy estimation model of nine heavy metal elements of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb was established by regression method. Comparing the diffuse reflectance characteristics of different heavy metal contents and the effect of different pretreatment methods on the establishment of soil heavy metal spectral inversion model. The results of chemical analysis show that there was a serious Hg pollution in the study area, and the Cd content was close to the critical value. The results show that: (1) NOR, MSC and SNV were adopted for the acquisition of visible near-infrared. Combining differential transformation can improve the information of heavy metal elements in the soil, and use the correlation band energy Significantly improve the stability and predictability of the model. (2) The modeling accuracy of the optimal model of nine heavy metal spectra of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb by PLSR method were 0.70, 0.79, 0.69, 0.81, 0.86, 0.58, 0.55, 0.99, 0.62. (3) The optimal estimation model of different elements using different treatment methods has better stability and higher precision, and can realize the rapid prediction of nine kinds of heavy metal elements in this region.

Analysis of petroleum-contaminated soils by diffuse reflectance spectroscopy and sequential ultrasonic solvent extraction–gas chromatography

International Nuclear Information System (INIS)

Okparanma, Reuben N.; Coulon, Frederic; Mouazen, Abdul M.

2014-01-01

In this study, we demonstrate that partial least-squares regression analysis with full cross-validation of spectral reflectance data estimates the amount of polycyclic aromatic hydrocarbons in petroleum-contaminated tropical rainforest soils. We applied the approach to 137 field-moist intact soil samples collected from three oil spill sites in Ogoniland in the Niger Delta province (5.317°N, 6.467°E), Nigeria. We used sequential ultrasonic solvent extraction–gas chromatography as the reference chemical method. We took soil diffuse reflectance spectra with a mobile fibre-optic visible and near-infrared spectrophotometer (350–2500 nm). Independent validation of combined data from studied sites showed reasonable prediction precision (root-mean-square error of prediction = 1.16–1.95 mg kg −1 , ratio of prediction deviation = 1.86–3.12, and validation r 2 = 0.77–0.89). This suggests that the methodology may be useful for rapid assessment of the spatial variability of polycyclic aromatic hydrocarbons in petroleum-contaminated soils in the Niger Delta to inform risk assessment and remediation. -- Highlights: • We model NIR diffuse reflectance spectra for PAH prediction in contaminated soils. • Soil diffuse reflectance decreases with increasing PAH concentration. • Mechanism of prediction relies on co-variation of PAH with other soil properties. • Positions of important wavelengths are largely similar for studied sites. • Positive regression coefficients around 1647 nm show a link to PAH. -- This approach may be used to collect large spatial data at reduced cost and time to assess the variability of polycyclic aromatic hydrocarbons in petroleum release sites

White light emitting diode as potential replacement of tungsten-halogen lamp for visible spectroscopy system: a case study in the measurement of mango qualities

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Chiong, W. L.; Omar, A. F.

2017-07-01

Non-destructive technique based on visible (VIS) spectroscopy using light emitting diode (LED) as lighting was used for evaluation of the internal quality of mango fruit. The objective of this study was to investigate feasibility of white LED as lighting in spectroscopic instrumentation to predict the acidity and soluble solids content of intact Sala Mango. The reflectance spectra of the mango samples were obtained and measured in the visible range (400-700 nm) using VIS spectroscopy illuminated under different white LEDs and tungsten-halogen lamp (pro lamp). Regression models were developed by multiple linear regression to establish the relationship between spectra and internal quality. Direct calibration transfer procedure was then applied between master and slave lighting to check on the acidity prediction results after transfer. Determination of mango acidity under white LED lighting was successfully performed through VIS spectroscopy using multiple linear regression but otherwise for soluble solids content. Satisfactory results were obtained for calibration transfer between LEDs with different correlated colour temperature indicated this technique was successfully used in spectroscopy measurement between two similar light sources in prediction of internal quality of mango.

White light emitting diode as potential replacement of tungsten-halogen lamp for visible spectroscopy system: a case study in the measurement of mango qualities

International Nuclear Information System (INIS)

Chiong, W.L.; Omar, A.F.

2017-01-01

Non-destructive technique based on visible (VIS) spectroscopy using light emitting diode (LED) as lighting was used for evaluation of the internal quality of mango fruit. The objective of this study was to investigate feasibility of white LED as lighting in spectroscopic instrumentation to predict the acidity and soluble solids content of intact Sala Mango. The reflectance spectra of the mango samples were obtained and measured in the visible range (400–700 nm) using VIS spectroscopy illuminated under different white LEDs and tungsten-halogen lamp (pro lamp). Regression models were developed by multiple linear regression to establish the relationship between spectra and internal quality. Direct calibration transfer procedure was then applied between master and slave lighting to check on the acidity prediction results after transfer. Determination of mango acidity under white LED lighting was successfully performed through VIS spectroscopy using multiple linear regression but otherwise for soluble solids content. Satisfactory results were obtained for calibration transfer between LEDs with different correlated colour temperature indicated this technique was successfully used in spectroscopy measurement between two similar light sources in prediction of internal quality of mango.

Quantitative determination of polyphosphate in sediments using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy and partial least squares regression.

Science.gov (United States)

Khoshmanesh, Aazam; Cook, Perran L M; Wood, Bayden R

2012-08-21

Phosphorus (P) is a major cause of eutrophication and subsequent loss of water quality in freshwater ecosystems. A major part of the flux of P to eutrophic lake sediments is organically bound or of biogenic origin. Despite the broad relevance of polyphosphate (Poly-P) in bioremediation and P release processes in the environment, its quantification is not yet well developed for sediment samples. Current methods possess significant disadvantages because of the difficulties associated with using a single extractant to extract a specific P compound without altering others. A fast and reliable method to estimate the quantitative contribution of microorganisms to sediment P release processes is needed, especially when an excessive P accumulation in the form of polyphosphate (Poly-P) occurs. Development of novel approaches for application of emerging spectroscopic techniques to complex environmental matrices such as sediments significantly contributes to the speciation models of P mobilization, biogeochemical nutrient cycling and development of nutrient models. In this study, for the first time Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy in combination with partial least squares (PLS) was used to quantify Poly-P in sediments. To reduce the high absorption matrix components in sediments such as silica, a physical extraction method was developed to separate sediment biological materials from abiotic particles. The aim was to achieve optimal separation of the biological materials from sediment abiotic particles with minimum chemical change in the sample matrix prior to ATR-FTIR analysis. Using a calibration set of 60 samples for the PLS prediction models in the Poly-P concentration range of 0-1 mg g(-1) d.w. (dry weight of sediment) (R(2) = 0.984 and root mean square error of prediction RMSEP = 0.041 at Factor-1) Poly-P could be detected at less than 50 μg g(-l) d.w. Using this technique, there is no solvent extraction or chemical

Operando Spectroscopy of the Gas-Phase Aldol Condensation of Propanal over Solid Base Catalysts

NARCIS (Netherlands)

Hernández-giménez, Ana M.; Ruiz-martínez, Javier; Puértolas, Begoña; Pérez-ramírez, Javier; Bruijnincx, Pieter C. A.; Weckhuysen, Bert M.

2017-01-01

The gas-phase aldol condensation of propanal, taken as model for the aldehyde components in bio-oils, has been studied with a combined operando set-up allowing to perform FT-IR & UV–Vis diffuse reflectance spectroscopy (DRS) with on-line mass spectrometry (MS). The selected solid base catalysts, a

In vitro terahertz spectroscopy of gelatin-embedded human brain tumors: a pilot study

Science.gov (United States)

Chernomyrdin, N. V.; Gavdush, A. A.; Beshplav, S.-I. T.; Malakhov, K. M.; Kucheryavenko, A. S.; Katyba, G. M.; Dolganova, I. N.; Goryaynov, S. A.; Karasik, V. E.; Spektor, I. E.; Kurlov, V. N.; Yurchenko, S. O.; Komandin, G. A.; Potapov, A. A.; Tuchin, V. V.; Zaytsev, K. I.

2018-04-01

We have performed the in vitro terahertz (THz) spectroscopy of human brain tumors. In order to fix tissues for the THz measurements, we have applied the gelatin embedding. It allows for preserving tissues from hydration/dehydration and sustaining their THz response similar to that of the freshly-excised tissues for a long time after resection. We have assembled an experimental setup for the reflection-mode measurements of human brain tissues based on the THz pulsed spectrometer. We have used this setup to study in vitro the refractive index and the amplitude absorption coefficient of 2 samples of malignant glioma (grade IV), 1 sample of meningioma (grade I), and samples of intact tissues. We have observed significant differences between the THz responses of normal and pathological tissues of the brain. The results of this paper highlight the potential of the THz technology in the intraoperative neurodiagnosis of tumors relying on the endogenous labels of tumorous tissues.

Reflectance degradation of a secondary concentrator by nitrate salt vapor deposition in an open volumetric receiver configuration

Science.gov (United States)

Lahlou, Radia; Armstrong, Peter R.; Calvet, Nicolas; Shamim, Tariq

2017-06-01

Nitrate salt vapor deposition on the reflecting surface of a secondary concentrator placed on top of an open molten salt tank at 500 °C is investigated using a lab-scale setup over an 8h-exposure cycle. Deposition, consisting of mostly spherical particles, is characterized in terms of chemical composition using energy dispersive X-ray spectroscopy. The corresponding specular reflectance degradation both temporary (before washing off the salt deposits) and permanent (residual reflectance loss after cleaning), is measured at different incidence angles and at reference points located at different heights. Reflectance drop due to salt deposits is compared to the one resulting from dust deposition. Long-term reflectance degradation by means of corrosion needs to be further studied through suitable accelerated aging tests.

ROLE OF MAGNETIC RESONANCE SPECTROSCOPY IN INTRACRANIAL LESIONS- A STUDY OF 75 CASES

Directory of Open Access Journals (Sweden)

Rajendra N. Solank

2017-10-01

Full Text Available BACKGROUND Our study have shown the role of MR spectroscopy in lesions whenever results are equivocal or non-conclusive even on MRI. MR spectroscopy can differentiate the lesions, particularly intracranial lesions on the basis of various metabolites. The aims of this study is to diagnose the intracranial lesions and to show the advantage of MR spectroscopy over the conventional MRI, to differentiate the neoplastic from non-neoplastic lesion, to prove the reliability of MR spectroscopy in identifying the different grades of glioma with histopathological correlation as well as to differentiate recurrent tumour from post-operative changes or radiation necrosis. MATERIALS AND METHODS During the period of August 2009 to July 2011, a prospective study of 75 patients was carried out at Department of Radiodiagnosis, Civil Hospital and BJ Medical College, Ahmedabad, Gujarat. MRI was performed on 1.5 Tesla MR scanner (GE HDXT using dedicated head coil. Conventional MR imaging was performed followed by MR spectroscopy using point resolved spectroscopy. After deciding the region of interest voxel was kept and 2D multivoxel proton spectroscopy (TR- 1000 msec, TE- 144 msec, voxel size 20 x 20 mm or single voxel proton spectroscopy (TR- 1500 msec, TE- 35 msec, voxel size 20 x 20 mm was performed and spectra obtained. RESULTS In the present study of 75 patients, the maximum number of patients were between 31 to 50 years of age. The approximate ratio of male: female was 2: 1. In our study sensitivity, specificity, positive predictive value, negative predictive value of MRI are 89%, 87%, 87% and 89% respectively and of MRI + MRS are 100%, 97%, 97% and 100% respectively in tumours. CONCLUSION MRS (Magnetic Resonance Spectroscopy is a non-invasive imaging technique that studies the chemical activity in the brain and detects the presence of certain chemical substances. Through this imaging technique, images and graphs of the brain can be obtained.

Mathematics teachers’ reflective practice within the context of adapted lesson study

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Barbara Posthuma

2012-11-01

Full Text Available There seems to be paucity of research in South Africa on mathematics teachers’ reflective practice. In order to study this phenomenon, the context of lesson study (in an adapted form was introduced to five mathematics teachers in a rural school in the Free State. The purpose was to investigate their reflective practice whilst they collaboratively planned mathematics lessons and reflected on the teaching of the lessons. Data were obtained through interviews, video-recorded lesson observations, field notes taken during the lesson study group meetings and document analyses (lesson plans and reflective writings. The adapted lesson study context provided a safe space for teachers to reflect on their teaching and they reported an increase in self-knowledge and finding new ways of teaching mathematics to learners. This finding has some potential value for planning professional learning programmes in which teachers are encouraged to talk about their classroom experiences, share their joys and challenges with one another and strive to build a community of reflective practitioners to enhance their learners’ understanding of mathematics.

A novel combined approach of diffuse reflectance UV-Vis-NIR spectroscopy and multivariate analysis for non-destructive examination of blue ballpoint pen inks in forensic application.

Science.gov (United States)

Kumar, Raj; Sharma, Vishal

2017-03-15

The present research is focused on the analysis of writing inks using destructive UV-Vis spectroscopy (dissolution of ink by the solvent) and non-destructive diffuse reflectance UV-Vis-NIR spectroscopy along with Chemometrics. Fifty seven samples of blue ballpoint pen inks were analyzed under optimum conditions to determine the differences in spectral features of inks among same and different manufacturers. Normalization was performed on the spectroscopic data before chemometric analysis. Principal Component Analysis (PCA) and K-mean cluster analysis were used on the data to ascertain whether the blue ballpoint pen inks could be differentiated by their UV-Vis/UV-Vis NIR spectra. The discriminating power is calculated by qualitative analysis by the visual comparison of the spectra (absorbance peaks), produced by the destructive and non-destructive methods. In the latter two methods, the pairwise comparison is made by incorporating the clustering method. It is found that chemometric method provides better discriminating power (98.72% and 99.46%, in destructive and non-destructive, respectively) in comparison to the qualitative analysis (69.67%). Copyright © 2016 Elsevier B.V. All rights reserved.

Band gap and defect states of MgO thin films investigated using reflection electron energy loss spectroscopy

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Sung Heo

2015-07-01

Full Text Available The band gap and defect states of MgO thin films were investigated by using reflection electron energy loss spectroscopy (REELS and high-energy resolution REELS (HR-REELS. HR-REELS with a primary electron energy of 0.3 keV revealed that the surface F center (FS energy was located at approximately 4.2 eV above the valence band maximum (VBM and the surface band gap width (EgS was approximately 6.3 eV. The bulk F center (FB energy was located approximately 4.9 eV above the VBM and the bulk band gap width was about 7.8 eV, when measured by REELS with 3 keV primary electrons. From a first-principles calculation, we confirmed that the 4.2 eV and 4.9 eV peaks were FS and FB, induced by oxygen vacancies. We also experimentally demonstrated that the HR-REELS peak height increases with increasing number of oxygen vacancies. Finally, we calculated the secondary electron emission yields (γ for various noble gases. He and Ne were not influenced by the defect states owing to their higher ionization energies, but Ar, Kr, and Xe exhibited a stronger dependence on the defect states owing to their small ionization energies.

Evaluation of ethical reflections in community healthcare: a mixed-methods study.

Science.gov (United States)

Söderhamn, Ulrika; Kjøstvedt, Helga Tofte; Slettebø, Åshild

2015-03-01

Ethical reflections over care practices are important. In order to be able to perform such reflections, healthcare professionals must learn to think critically about their care practice. The aim of this study was to evaluate whether an introduction to and practice in ethical reflections in community healthcare have consequences for the healthcare personnel's practice. A mixed-methods design was adopted with five focus group interviews and an electronic questionnaire based on results from the interviews. A total of 29 community healthcare personnel with experience in ethical reflections participated in the interviews. The electronic questionnaire was sent via email to 2382 employees in community healthcare services in 13 municipalities in southern part of Norway. The study was guided by the intentions of the Declaration of Helsinki and ethical standard principles and approved by the Norwegian Social Science Data Services. An introduction to and practice in performing ethical reflections brought about an ethical awareness with understanding and respect for both colleagues and patients. The leader had a key role. Lack of time was a hindrance for ethical reflections. Three factors could predict meaningful ethical reflections: higher age of personnel, higher percentage of employment and longer experience with ethical reflections. According to other studies, ethical reflections may enhance moral development of colleagues and their actions as advocates for the patients. A deepened ethical awareness, professional competency and sufficient time resources will guarantee proper caregiving. A supportive environment that prioritizes participation in reflection meetings is decisive. To practice ethical reflections will provide better care for patients. A challenge for the community healthcare system is to offer adequate positions that provide the personnel an opportunity to be involved as caregivers and to participate in ethical reflections. © The Author(s) 2014.

Continuous-wave cavity ringdown spectroscopy based on the control of cavity reflection.

Science.gov (United States)

Li, Zhixin; Ma, Weiguang; Fu, Xiaofang; Tan, Wei; Zhao, Gang; Dong, Lei; Zhang, Lei; Yin, Wangbao; Jia, Suotang

2013-07-29

A new type of continuous-wave cavity ringdown spectrometer based on the control of cavity reflection for trace gas detection was designed and evaluated. The technique separated the acquisitions of the ringdown event and the trigger signal to optical switch by detecting the cavity reflection and transmission, respectively. A detailed description of the time sequence of the measurement process was presented. In order to avoid the wrong extraction of ringdown time encountered accidentally in fitting procedure, the laser frequency and cavity length were scanned synchronously. Based on the statistical analysis of measured ringdown times, the frequency normalized minimum detectable absorption in the reflection control mode was 1.7 × 10(-9)cm(-1)Hz(-1/2), which was 5.4 times smaller than that in the transmission control mode. However the signal-to-noise ratio of the absorption spectrum was only 3 times improved since the etalon effect existed. Finally, the peak absorption coefficients of the C(2)H(2) transition near 1530.9nm under different pressures showed a good agreement with the theoretical values.

Femtosecond infrared spectroscopy: study, development and applications

International Nuclear Information System (INIS)

Bonvalet, Adeline

1997-01-01

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

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

Science.gov (United States)

Martinez, Nicole

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

Piezomodulated reflectivity on CdMnTe/CdTe quantum well structures as a new standard characterization method

Energy Technology Data Exchange (ETDEWEB)

Kurtz, E.; Schmitt, K.; Hommel, D.; Waag, A.; Bicknell-Tassius, R.N.; Landwehr, G. (Physikalisches Inst., Univ. Wuerzburg (Germany))

1993-01-30

Piezomodulated reflectivity (PZR) measurements are reported for the first time as a standard characterization method for CdMnTe/CdTe single (SQW) and multiple (MQW) quantum wells grown by molecular beam epitaxy on CdTe substrates 1 mm thick. Previously, modulation spectroscopy studies of II-VI structures required thin substrates which needed special preparation. In this paper we present studies of optical properties of CdMnTe/CdTe SQWs and MWQs using the PZR technique. The samples, mounted on a sinusoidally driven piezoelectric transducer are subjected to an alternating strain. Exploiting ''lock-in'' techniques, the first derivative of the reflectivity is measured directly. Specific electronic transitions, e.g. excitons, are well resolved in the modulated spectrum and can be easily identified. This makes PZR a very sensitive and powerful tool for the characterization of quantum well structures, and a useful complement to other standard techniques such as photoluminescence and excitation spectroscopy. (orig.).

NATO Advanced Study Institute on Low Temperature Molecular Spectroscopy

CERN Document Server

1996-01-01

Molecular spectroscopy has achieved rapid and significant progress in recent years, the low temperature techniques in particular having proved very useful for the study of reactive species, phase transitions, molecular clusters and crystals, superconductors and semiconductors, biochemical systems, astrophysical problems, etc. The widening range of applications has been accompanied by significant improvements in experimental methods, and low temperature molecular spectroscopy has been revealed as the best technique, in many cases, to establish the connection between experiment and theoretical calculations. This, in turn, has led to a rapidly increasing ability to predict molecular spectroscopic properties. The combination of an advanced tutorial standpoint with an emphasis on recent advances and new perspectives in both experimental and theoretical molecular spectroscopy contained in this book offers the reader insight into a wide range of techniques, particular emphasis being given to supersonic jet and matri...

Spectroscopy of Atomic Vapors in Nanometer Cells: Dicke Narrowing and Beyond

International Nuclear Information System (INIS)

Vartanyan, T A; Khromov, V V

2012-01-01

Sub-Doppler spectroscopy of gaseous media confined in thin pillbox-shaped cells was pioneered by R.H. Dicke. In the past, this idea attracted much less attention compared to 'Dicke narrowing' in buffer gas where the atoms or molecules perform a diffusive motion instead of being bounced back and forth between the walls of the cell in a completely predetermined nature. The situation is going to be changed as atomic spectroscopy becoming an essential part of mobile devices for civil and military applications that require tiny spectroscopic cells. In the pillbox shaped cells, the role of the fast moving atoms is diminished, while the slowly moving atoms contribute most to the absorption as well as to the fluorescence. The role of the slowly moving atoms and their transient polarization in selective reflection spectroscopy was highlighted by J.L. Cojan. By merging these two approaches we have developed a theoretical description of optical reflection from and transmission through the narrow slice of atomic vapours.

Two-dimensional correlation spectroscopy in polymer study

Science.gov (United States)

Park, Yeonju; Noda, Isao; Jung, Young Mee

2015-01-01

This review outlines the recent works of two-dimensional correlation spectroscopy (2DCOS) in polymer study. 2DCOS is a powerful technique applicable to the in-depth analysis of various spectral data of polymers obtained under some type of perturbation. The powerful utility of 2DCOS combined with various analytical techniques in polymer studies and noteworthy developments of 2DCOS used in this field are also highlighted. PMID:25815286

In-vivo studies of reflectance pulse oximeter sensor

Science.gov (United States)

Ling, Jian; Takatani, Setsuo; Noon, George P.; Nose, Yukihiko

1993-08-01

Reflectance oximetry can offer an advantage of being applicable to any portion of the body. However, the major problem of reflectance oximetry is low pulsatile signal level which prevents prolonged clinical application during extreme situations, such as hypothermia and vasoconstriction. In order to improve the pulsatile signal level of reflectance pulse oximeter and thus its accuracy, three different sensors, with the separation distances (SPD) between light emitting diode (LED) and photodiode being 3, 5, and 7 mm respectively, were studied on nine healthy volunteers. With the increase of the SPD, it was found that both the red (660 nm) and near-infrared (830 nm) pulsatile to average signal ratio (AC/DC) increased, and the standard deviations of (AC/DC)red/(AC/DC)infrared ratio decreased, in spite of the decrease of the absolute signal level. Further clinical studies of 3 mm and 7 mm SPD sensors on seven patients also showed that the (AC/DC)red/(AC/DC)infrared ratio measured by the 7 mm sensor were less disturbed than the 3 mm sensor during the surgery. A theoretical study based on the three-dimensional photon diffusion theory supports the experimental and clinical results. As a conclusion, the 7 mm sensor has the highest signal-to- noise ratio among three different sensors. A new 7 mm SPD reflectance sensor, with the increased number of LEDs around the photodiode, was designed to increase the AC/DC ratio, as well as to increase the absolute signal level.

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

Science.gov (United States)

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

2006-05-01

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

A fecal near-infrared reflectance spectroscopy-aided methodology to determine goat dietary composition in a Mediterranean shrubland.

Science.gov (United States)

Glasser, T; Landau, S; Ungar, E D; Perevolotsky, A; Dvash, L; Muklada, H; Kababya, D; Walker, J W

2008-06-01

An ecologically sound approach to the problem of brush encroachment onto Israeli rangeland might be their utilization by goats, but better knowledge of the feeding selectivity and ability of goats to thrive in encroached areas is required to devise viable production systems. Direct observation of bites could provide precise and accurate estimates of diet selection, but construction of a sufficiently large database would require too much time. The present study describes the first attempt to construct fecal near-infrared reflectance spectroscopy (NIRS) calibrations of the botanical and nutritional composition of the diet, and of the total intake of free-ranging goats, based on reference values determined with bite-count procedures. Calibration of fecal NIRS was based on 43 observations encompassing 3 goat breeds and 4 periods (spring, summer, and fall of 2004, and spring of 2005). Each observation comprised 242 min of continuous recording of the species and bite-type category selected by a single animal, on each of 2 consecutive days. The mass and chemical quality of each species and bite-type category-a total of more than 200,000 bites-were determined by using the simulated bite technique. Associated feces were scanned in the 1,100- to 2,500-nm range with a reflectance monochromator. Fecal NIRS calibrations had reasonable precision for dietary percentages of the 3 main botanical components: herbaceous vegetation (as one category; R(2) = 0.85), Phillyrea latifolia (R(2) = 0.89), and tannin-rich Pistacia lentiscus (R(2) = 0.77), with SE of cross-validation (SECV) of 7.8, 6.3, and 5.6% of DM, respectively. The R(2) values for dietary percentages of CP, NDF, IVDMD, and polyethylene glycol-binding tannins were 0.93, 0.88, 0.91, and 0.74, respectively, with SECV values of 0.9, 2.1, 4.3, and 0.9% of DM, respectively. The R(2) values for intakes of herbaceous vegetation, P. latifolia, and P. lentiscus were 0.80, 0.75, and 0.65, with SECV values of 71, 64, and 46 g of DM

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

Science.gov (United States)

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.

Cow-specific diet digestibility predictions based on near-infrared reflectance spectroscopy scans of faecal samples.

Science.gov (United States)

Mehtiö, T; Rinne, M; Nyholm, L; Mäntysaari, P; Sairanen, A; Mäntysaari, E A; Pitkänen, T; Lidauer, M H

2016-04-01

This study was designed to obtain information on prediction of diet digestibility from near-infrared reflectance spectroscopy (NIRS) scans of faecal spot samples from dairy cows at different stages of lactation and to develop a faecal sampling protocol. NIRS was used to predict diet organic matter digestibility (OMD) and indigestible neutral detergent fibre content (iNDF) from faecal samples, and dry matter digestibility (DMD) using iNDF in feed and faecal samples as an internal marker. Acid-insoluble ash (AIA) as an internal digestibility marker was used as a reference method to evaluate the reliability of NIRS predictions. Feed and composite faecal samples were collected from 44 cows at approximately 50, 150 and 250 days in milk (DIM). The estimated standard deviation for cow-specific organic matter digestibility analysed by AIA was 12.3 g/kg, which is small considering that the average was 724 g/kg. The phenotypic correlation between direct faecal OMD prediction by NIRS and OMD by AIA over the lactation was 0.51. The low repeatability and small variability estimates for direct OMD predictions by NIRS were not accurate enough to quantify small differences in OMD between cows. In contrast to OMD, the repeatability estimates for DMD by iNDF and especially for direct faecal iNDF predictions were 0.32 and 0.46, respectively, indicating that developing of NIRS predictions for cow-specific digestibility is possible. A data subset of 20 cows with daily individual faecal samples was used to develop an on-farm sampling protocol. Based on the assessment of correlations between individual sample combinations and composite samples as well as repeatability estimates for individual sample combinations, we found that collecting up to three individual samples yields a representative composite sample. Collection of samples from all the cows of a herd every third month might be a good choice, because it would yield a better accuracy. © 2015 Blackwell Verlag GmbH.

Report of the Study Group on Complete Spectroscopy

International Nuclear Information System (INIS)

Garrett, J.D.

1989-01-01

This report summarizes the topics considered in four discussions of about two hours each attended by most of the workshop participants. The contents of the lectures of David Radford, Fumihiko Sakata, Ben Mottelson, and Jerry Garret pertaining to Complete Spectroscopy are contained elsewhere in this proceedings. Most detailed nuclear structure information is derived from measurements of the spectroscopic properties (e.g. excitation energies, angular momenta, parities, lifetimes, magnetic moments, population cross sections, methods of decay, etc.) of discrete nuclear eigenstates. The present instrumentation allows in the best cases such measurements to approach the angular momentum limit imposed by fission and to as many as fifteen different excited bands. In anticipation of the new generation of detection equipment, such as the EUROBall and the GAMMASPHERE, the Complete Spectroscopy Study Group attempted to define the limits to such studies imposed by physical considerations and to consider some of the new, interesting physics that can be addressed from more complete discrete spectroscopic studies. 28 refs

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

Science.gov (United States)

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

2011-04-01

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

Application of multivariate chemometric techniques for simultaneous determination of five parameters of cottonseed oil by single bounce attenuated total reflectance Fourier transform infrared spectroscopy.

Science.gov (United States)

Talpur, M Younis; Kara, Huseyin; Sherazi, S T H; Ayyildiz, H Filiz; Topkafa, Mustafa; Arslan, Fatma Nur; Naz, Saba; Durmaz, Fatih; Sirajuddin

2014-11-01

Single bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) spectroscopy in conjunction with chemometrics was used for accurate determination of free fatty acid (FFA), peroxide value (PV), iodine value (IV), conjugated diene (CD) and conjugated triene (CT) of cottonseed oil (CSO) during potato chips frying. Partial least square (PLS), stepwise multiple linear regression (SMLR), principal component regression (PCR) and simple Beer׳s law (SBL) were applied to develop the calibrations for simultaneous evaluation of five stated parameters of cottonseed oil (CSO) during frying of French frozen potato chips at 170°C. Good regression coefficients (R(2)) were achieved for FFA, PV, IV, CD and CT with value of >0.992 by PLS, SMLR, PCR, and SBL. Root mean square error of prediction (RMSEP) was found to be less than 1.95% for all determinations. Result of the study indicated that SB-ATR FTIR in combination with multivariate chemometrics could be used for accurate and simultaneous determination of different parameters during the frying process without using any toxic organic solvent. Copyright © 2014 Elsevier B.V. All rights reserved.

Contrast and Raman spectroscopy study of single- and few-layered charge density wave material: 2H-TaSe2

Science.gov (United States)

Hajiyev, Parviz; Cong, Chunxiao; Qiu, Caiyu; Yu, Ting

2013-01-01

In this article, we report the first successful preparation of single- and few-layers of tantalum diselenide (2H-TaSe2) by mechanical exfoliation technique. Number of layers is confirmed by white light contrast spectroscopy and atomic force microscopy (AFM). Vibrational properties of the atomically thin layers of 2H-TaSe2 are characterized by micro-Raman spectroscopy. Room temperature Raman measurements demonstrate MoS2-like spectral features, which are reliable for thickness determination. E1g mode, usually forbidden in backscattering Raman configuration is observed in the supported TaSe2 layers while disappears in the suspended layers, suggesting that this mode may be enabled because of the symmetry breaking induced by the interaction with the substrate. A systematic in-situ low temperature Raman study, for the first time, reveals the existence of incommensurate charge density wave phase transition in single and double-layered 2H-TaSe2 as reflected by a sudden softening of the second-order broad Raman mode resulted from the strong electron-phonon coupling (Kohn anomaly). PMID:24005335

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

Science.gov (United States)

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

2018-01-01

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

ATR-FTIR Spectroscopy Highlights the Problem of Distinguishing Between Exophiala dermatitidis and E. phaeomuriformis Using MALDI-TOF MS

NARCIS (Netherlands)

Ergin, C.; Gok, Y.; Baygu, Y.; Gumral, R.; Ozhak-Baysan, B.; Dogen, A.; Ogunc, D.; Ilkit, M.; Seyedmousavi, S.

2016-01-01

The present study compared two chemical-based methods, namely, matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry (MALDI-TOF MS) and attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, to understand the misidentification of Exophiala

Study of tin amalgam mirrors by "1"1"9Sn Mössbauer spectroscopy and other analytical methods

International Nuclear Information System (INIS)

Lerf, A.; Wagner, F. E.; Herrera, L. K.; Justo, A.; Mu noz-Páez, A.; Pérez-Rodríguez, J. L.

2016-01-01

From the beginning of the 16 "t"h until the end of the 19 "t"h century the most widely used mirrors consisted of a pane of glass backed with a reflecting layer of tin-mercury amalgam. They were made by sliding the glass pane over a tin foil covered with liquid mercury. After removal of the superfluous mercury, tin amalgam formed slowly at ambient temperature and yielded a reflecting layer adhering to the surface of the glass. Such mirrors often deteriorate in the course of time by oxidation of the tin in the amalgam to stannous or stannic oxide. "1"1"9Sn Mössbauer spectroscopy, scanning electron microscopy, micro-XRF and X-ray diffraction have been used to study this deterioration process. The studied specimens were a modern mirror made for the reconstruction of the Green Vault in Dresden in the early 2000s, two rather well preserved German mirrors from the 17 "t"h and 19 "t"h centuries and several strongly deteriorated specimens of Baroque mirrors from the south of Spain. The modern mirror consists mainly of a Sn_0_._9Hg_0_._1 amalgam with only 2 % of SnO_2. The older German mirrors showed more pronounced oxidation, containing 12 and 15 % of SnO_2, which did not noticeably impair their reflectivity. In the samples from the Spanish mirrors at best a few percent of metallic phase was left. The majority of the tin had oxidised to SnO_2, but between 8 and 20 % of the tin was present as SnO. X-ray diffraction yielded similar results and micro-XRF mapping using synchrotron radiation for excitation gave information on the distribution of Sn and Hg in the reflecting layer of the mirrors.

Plasmonic reflectance anisotropy spectroscopy of metal nanoparticles on a semiconductor surface

Science.gov (United States)

Kosobukin, V. A.; Korotchenkov, A. V.

2016-12-01

A theory of plasmonic differential anisotropic reflection of light from nanoparticles located near the interface between media is developed. The model of a monolayer consisting of identical ellipsoidal metal particles occupying sites of a rectangular lattice is investigated. Effective plasmonic polarizabilities of nanoparticles in the layer are calculated self-consistently using the Green's function technique in the quasipoint dipole approximation. The local-field effect caused by anisotropic dipole plasmons of particles in the layer and their image dipoles is taken into account. The lately observed resonant reflectance anisotropy spectra of indium nanoclusters on InAs surface are explained by the difference between frequencies of plasmons with the orthogonal polarizations in the surface plane. The difference between the plasmon frequencies is attributed to anisotropy of the particles shape or/and the layer structure; the signs of frequency difference for the two types of anisotropy being different.

Agricultural applications of NIR reflectance and transmittance

DEFF Research Database (Denmark)

Gislum, René

2009-01-01

There has been a considerable increase in the use of near infrared (NIR) reflectance and transmittance spectroscopy technologies for rapid determination of quality parameters in agriculture, including applications within crop product quality, feed and food quality, manure quality, soil analyses etc....... As a result it was decided to arrange a seminar within the Nordic Association of Agricultural Scientists. This is a report of the meeting....

NuSTAR SPECTROSCOPY OF MULTI-COMPONENT X-RAY REFLECTION FROM NGC 1068

Energy Technology Data Exchange (ETDEWEB)

Bauer, Franz E. [Pontificia Universidad Católica de Chile, Instituto de Astrofísica, Casilla 306, Santiago 22 (Chile); Arévalo, Patricia [EMBIGGEN Anillo, Concepción (Chile); Walton, Dominic J.; Baloković, Mislav; Brightman, Murray; Harrison, Fiona A. [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, Pasadena, CA 91125 (United States); Koss, Michael J. [Institute for Astronomy, Department of Physics, ETH Zurich, Wolfgang-Pauli-Strasse 27, CH-8093 Zurich (Switzerland); Puccetti, Simonetta [ASDC-ASI, Via del Politecnico, I-00133 Roma (Italy); Gandhi, Poshak [School of Physics and Astronomy, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom); Stern, Daniel [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States); Alexander, David M.; Moro, Agnese Del [Department of Physics, Durham University, South Road, Durham, DH1 3LE (United Kingdom); Boggs, Steve E.; Craig, William W. [Space Sciences Laboratory, University of California, Berkeley, CA 94720 (United States); Brandt, William N.; Luo, Bin [Department of Astronomy and Astrophysics, The Pennsylvania State University, 525 Davey Lab, University Park, PA 16802 (United States); Christensen, Finn E. [DTU Space, National Space Institute, Technical University of Denmark, Elektrovej 327, DK-2800 Lyngby (Denmark); Comastri, Andrea [INAF-Osservatorio Astronomico di Bologna, via Ranzani 1, I-40127 Bologna (Italy); Hailey, Charles J. [Columbia Astrophysics Laboratory, Columbia University, New York, NY 10027 (United States); Hickox, Ryan [Department of Physics and Astronomy, Dartmouth College, 6127 Wilder Laboratory, Hanover, NH 03755 (United States); and others

2015-10-20

We report on high-energy X-ray observations of the Compton-thick Seyfert 2 galaxy NGC 1068 with NuSTAR, which provide the best constraints to date on its >10 keV spectral shape. The NuSTAR data are consistent with those from past and current instruments to within cross-calibration uncertainties, and we find no strong continuum or line variability over the past two decades, which is in line with its X-ray classification as a reflection-dominated Compton-thick active galactic nucleus. The combined NuSTAR, Chandra, XMM-Newton, and Swift BAT spectral data set offers new insights into the complex secondary emission seen instead of the completely obscured transmitted nuclear continuum. The critical combination of the high signal-to-noise NuSTAR data and the decomposition of the nuclear and extranuclear emission with Chandra allow us to break several model degeneracies and greatly aid physical interpretation. When modeled as a monolithic (i.e., a single N{sub H}) reflector, none of the common Compton reflection models are able to match the neutral fluorescence lines and broad spectral shape of the Compton reflection hump without requiring unrealistic physical parameters (e.g., large Fe overabundances, inconsistent viewing angles, or poor fits to the spatially resolved spectra). A multi-component reflector with three distinct column densities (e.g., with best-fit values of N{sub H} of 1.4 × 10{sup 23}, 5.0 × 10{sup 24}, and 10{sup 25} cm{sup −2}) provides a more reasonable fit to the spectral lines and Compton hump, with near-solar Fe abundances. In this model, the higher N{sub H} component provides the bulk of the flux to the Compton hump, while the lower N{sub H} component produces much of the line emission, effectively decoupling two key features of Compton reflection. We find that ≈30% of the neutral Fe Kα line flux arises from >2″ (≈140 pc) and is clearly extended, implying that a significant fraction (and perhaps most) of the <10 keV reflected component

Study of biological fluids by nuclear magnetic resonance spectroscopy

International Nuclear Information System (INIS)

Kriat, M.; Vion-Dury, J.; Confort-Gouny, S.; Sciaky, M.; Cozzone, P.J.

1991-01-01

The use of nuclear magnetic resonance (NMR) spectroscopy in the study of biofluids is rapidly developing and might soon constitute a new major medical application of this technique which benefits from technological and methodological progress such as higher magnetic fields, new probe design, solvent suppression sequences and advanced data processing routines. In this overview, the clinical and pharmacological impact of this new approach is examined, with emphasis on the NMR spectroscopy of plasma, cerebrospinal fluid and urine. Applications to pharmacokinetics and toxicology are illustrated. Interestingly, a number of biochemical components of fluids which are not usually assayed by conventional biochemical methods are readily detected by NMR spectroscopy which is clearly a new competitive entrant among the techniques used in clinical biology. Its ease-of-use, cost effectiveness and high informational content might turn it into a major diagnostic tool in the years to come [fr

Magnetic excitations studied with time-of-flight spectroscopy

International Nuclear Information System (INIS)

Rainford, B.

1996-01-01

An introduction to time-of-flight neutron spectroscopy is presented in the context of the study of magnetic materials. Examples are taken from the class of rare earth and actinide magnetic materials known as 'strongly correlated electron' systems. (author) 11 figs., 24 refs

Magnetic excitations studied with time-of-flight spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Rainford, B [Southampton Univ. (United Kingdom). Dept. of Physics

1996-11-01

An introduction to time-of-flight neutron spectroscopy is presented in the context of the study of magnetic materials. Examples are taken from the class of rare earth and actinide magnetic materials known as `strongly correlated electron` systems. (author) 11 figs., 24 refs.

Analysis of H2O in silicate glass using attenuated total reflectance (ATR) micro-FTIR spectroscopy

Science.gov (United States)

Lowenstern, Jacob B.; Pitcher, Bradley W.

2013-01-01

We present a calibration for attenuated total reflectance (ATR) micro-FTIR for analysis of H2O in hydrous glass. A Ge ATR accessory was used to measure evanescent wave absorption by H2O within hydrous rhyolite and other standards. Absorbance at 3450 cm−1 (representing total H2O or H2Ot) and 1630 cm−1 (molecular H2O or H2Om) showed high correlation with measured H2O in the glasses as determined by transmission FTIR spectroscopy and manometry. For rhyolite, wt%H2O=245(±9)×A3450-0.22(±0.03) and wt%H2Om=235(±11)×A1630-0.20(±0.03) where A3450 and A1630 represent the ATR absorption at the relevant infrared wavelengths. The calibration permits determination of volatiles in singly polished glass samples with spot size down to ~5 μm (for H2O-rich samples) and detection limits of ~0.1 wt% H2O. Basaltic, basaltic andesite and dacitic glasses of known H2O concentrations fall along a density-adjusted calibration, indicating that ATR is relatively insensitive to glass composition, at least for calc-alkaline glasses. The following equation allows quantification of H2O in silicate glasses that range in composition from basalt to rhyolite: wt%H2O=(ω×A3450/ρ)+b where ω = 550 ± 21, b = −0.19 ± 0.03, ρ = density, in g/cm3, and A3450 is the ATR absorbance at 3450 cm−1. The ATR micro-FTIR technique is less sensitive than transmission FTIR, but requires only a singly polished sample for quantitative results, thus minimizing time for sample preparation. Compared with specular reflectance, it is more sensitive and better suited for imaging of H2O variations in heterogeneous samples such as melt inclusions. One drawback is that the technique can damage fragile samples and we therefore recommend mounting of unknowns in epoxy prior to polishing. Our calibration should hold for any Ge ATR crystals with the same incident angle (31°). Use of a different crystal type or geometry would require measurement of several H2O-bearing standards to provide a crystal

Interfacial structure of soft matter probed by SFG spectroscopy.

Science.gov (United States)

Ye, Shen; Tong, Yujin; Ge, Aimin; Qiao, Lin; Davies, Paul B

2014-10-01

Sum frequency generation (SFG) vibrational spectroscopy, an interface-specific technique in contrast to, for example, attenuated total reflectance spectroscopy, which is only interface sensitive, has been employed to investigate the surface and interface structure of soft matter on a molecular scale. The experimental arrangement required to carry out SFG spectroscopy, with particular reference to soft matter, and the analytical methods developed to interpret the spectra are described. The elucidation of the interfacial structure of soft matter systems is an essential prerequisite in order to understand and eventually control the surface properties of these important functional materials. Copyright © 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Direct band gap measurement of Cu(In,Ga)(Se,S)2 thin films using high-resolution reflection electron energy loss spectroscopy

International Nuclear Information System (INIS)

Heo, Sung; Lee, Hyung-Ik; Park, Jong-Bong; Ko, Dong-Su; Chung, JaeGwan; Kim, KiHong; Kim, Seong Heon; Yun, Dong-Jin; Ham, YongNam; Park, Gyeong Su; Song, Taewon; Lee, Dongho; Nam, Junggyu; Kang, Hee Jae; Choi, Pyung-Ho; Choi, Byoung-Deog

2015-01-01

To investigate the band gap profile of Cu(In 1−x ,Ga x )(Se 1−y S y ) 2 of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respect to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth

Photothermal microfluidic cantilever deflection spectroscopy reflecting clustering mechanism of ethanol water mixtures

Science.gov (United States)

Ghoraishi, Maryam; Hawk, John; Thundat, Thomas

Aqueous mixture of alcohol is a typical prototype for biomolecules, micelle formation, and structural stability of proteins. Therefore, Short chain alcohols such as EtOH have been used as a simple model for understanding of more complex aqueous biomolecules. Here we study vibrational energy peaks of EtOH water binary mixtures using micromechanical calorimetric spectroscopy using bimaterial microfluidic cantilevers (BMC). The IR spectra of EtOH-water are experimentally collected employing a BMC as concentration of EtOH changes from 20-100 wt%. As concentration of EtOH varies in the mixture, considerable shifts in the wavenumber at IR absorption peak maxima are reported. The experimentally measured shifts in the wavenumber at IR absorption peak maxima are related to changes in dipole moment (μ) of EtOH at different concentration. The relationship between IR absorption wavenumber for both anti and gauche conformers of EtOH, and inverse dipole moment, 1/ μ, of EtOH at different concentrations follows a power law dependence. Our technique offers a platform to investigate dipole effect on molecular vibrations of mixtures in confined picoliter volumes, previously unexplored with other analytical techniques due to limitations of volume under study.

NMR spectroscopy applied to the eye: Drugs and metabolic studies

Energy Technology Data Exchange (ETDEWEB)

Saether, Oddbjoern

2005-07-01

NMR spectroscopy has been extensively applied in biomedical research during the last decades. It has proved to be an analytical tool of great value. From being mainly used in chemistry, technological developments have expanded the application of NMR spectroscopy to a great wealth of disciplines. With this method, biochemical information can be obtained by analysing tissue extracts. Moreover, NMR spectroscopy is increasingly employed for pharmacokinetic studies and analysis of biofluids. Technological progress has provided increased sensitivity and resolution in the spectra, which enable even more of the complexity of biological samples to be elucidated. With the implementation of high-resolution magic angle spinning (HR-MAS) NMR spectroscopy in biomedicine, intact tissue samples or biopsies can be investigated. Thus, NMR spectroscopy has an ever-increasing impact in metabolic screening of human samples and in animal models, and methods are also increasingly realised in vivo. The present work, NMR spectroscopy applied to eye research, consists of two main parts. Firstly, the feasibility to monitor fluorinated ophthalmic drugs directly in the eye was assessed. Secondly, HR-MAS H1 NMR spectroscopy was applied for metabolic profiling of the anterior eye segment, specifically to analyse metabolic changes in intact corneal and lenticular samples after cataractogenic insults. This work included metabonomics with the application of pattern recognition methods to analyse HR-MAS spectra of eye tissues. Optimisation strategies were explored for F19 NMR detection of fluorinated drugs in a phantom eye. S/N gains in F19 NMR spectroscopy were achieved by implementing time-share H1 decoupling at 2.35 T. The method is advantageous for compounds displaying broad spectral coupling patterns, though detection of drugs at concentrations encountered in the anterior eye segment after topical application was not feasible. Higher magnetic fields and technological improvements could enable

NMR spectroscopy applied to the eye: Drugs and metabolic studies

International Nuclear Information System (INIS)

Saether, Oddbjoern

2005-01-01

NMR spectroscopy has been extensively applied in biomedical research during the last decades. It has proved to be an analytical tool of great value. From being mainly used in chemistry, technological developments have expanded the application of NMR spectroscopy to a great wealth of disciplines. With this method, biochemical information can be obtained by analysing tissue extracts. Moreover, NMR spectroscopy is increasingly employed for pharmacokinetic studies and analysis of biofluids. Technological progress has provided increased sensitivity and resolution in the spectra, which enable even more of the complexity of biological samples to be elucidated. With the implementation of high-resolution magic angle spinning (HR-MAS) NMR spectroscopy in biomedicine, intact tissue samples or biopsies can be investigated. Thus, NMR spectroscopy has an ever-increasing impact in metabolic screening of human samples and in animal models, and methods are also increasingly realised in vivo. The present work, NMR spectroscopy applied to eye research, consists of two main parts. Firstly, the feasibility to monitor fluorinated ophthalmic drugs directly in the eye was assessed. Secondly, HR-MAS H1 NMR spectroscopy was applied for metabolic profiling of the anterior eye segment, specifically to analyse metabolic changes in intact corneal and lenticular samples after cataractogenic insults. This work included metabonomics with the application of pattern recognition methods to analyse HR-MAS spectra of eye tissues. Optimisation strategies were explored for F19 NMR detection of fluorinated drugs in a phantom eye. S/N gains in F19 NMR spectroscopy were achieved by implementing time-share H1 decoupling at 2.35 T. The method is advantageous for compounds displaying broad spectral coupling patterns, though detection of drugs at concentrations encountered in the anterior eye segment after topical application was not feasible. Higher magnetic fields and technological improvements could enable

Vibrational spectroscopy

Science.gov (United States)

Umesh P. Agarwal; Rajai Atalla

2010-01-01

Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...

Study of small carbon and semiconductor clusters using negative ion threshold photodetachment spectroscopy

International Nuclear Information System (INIS)

Arnold, C.C.

1994-08-01

The bonding and electronics of several small carbon and semiconductor clusters containing less than ten atoms are probed using negative ion threshold photodetachment (zero electron kinetic energy, or ZEKE) spectroscopy. ZEKE spectroscopy is a particularly advantageous technique for small cluster study, as it combines mass selection with good spectroscopic resolution. The ground and low-lying electronic states of small clusters in general can be accessed by detaching an electron from the ground anion state. The clusters studied using this technique and described in this work are C 6 - /C 6 , Si n - /Si n (n = 2, 3, 4), Ge 2 - /Ge 2 , In 2 P - /In 2 P,InP 2 - /InP 2 , and Ga 2 As - . The total photodetachment cross sections of several other small carbon clusters and the ZEKE spectrum of the I - ·CH 3 I S N 2 reaction complex are also presented to illustrate the versatility of the experimental apparatus. Clusters with so few atoms do not exhibit bulk properties. However, each specie exhibits bonding properties that relate to the type of bonding found in the bulk. C 6 , as has been predicted, exhibits a linear cumulenic structure, where double bonds connect all six carbon atoms. This double bonding reflects how important π bonding is in certain phases of pure carbon (graphite and fullerenes). The symmetric stretch frequencies observed in the C 6 - spectra, however, are in poor agreement with the calculated values. Also observed as sharp structure in total photodetachment cross section scans was an excited anion state bound by only ∼40 cm -1 relative to the detachment continuum. This excited anion state appears to be a valence bound state, possible because of the high electron affinity of C 6 , and the open shell of the anion

Ethics reflection groups in community health services: an evaluation study.

Science.gov (United States)

Lillemoen, Lillian; Pedersen, Reidar

2015-04-17

Systematic ethics support in community health services in Norway is in the initial phase. There are few evaluation studies about the significance of ethics reflection on care. The aim of this study was to evaluate systematic ethics reflection in groups in community health (including nursing homes and residency), - from the perspectives of employees participating in the groups, the group facilitators and the service managers. The reflection groups were implemented as part of a research and development project. A mixed-methods design with qualitative focus group interviews, observations and written reports were used to evaluate. The study was conducted at two nursing homes, two home care districts and a residence for people with learning disabilities. Participants were employees, facilitators and service managers. The study was guided by ethical standard principles and was approved by the Norwegian Social Science Data Services. We found support for ethics reflection as a valuable measure to strengthen clinical practice. New and improved solutions, more cooperation between employees, and improved collaboration with patients and their families are some of the results. No negative experiences were found. Instead, the ethics reflection based on experiences and challenges in the workplace, was described as a win-win situation. The evaluation also revealed what is needed to succeed and useful tips for further development of ethics support in community health services. Ethics reflection groups focusing on ethical challenges from the participants' daily work were found to be significant for improved practice, collegial support and cooperation, personal and professional development among staff, facilitators and managers. Resources needed to succeed were managerial support, and anchoring ethics sessions in the routine of daily work.

Trapping-charging ability and electrical properties study of amorphous insulator by dielectric spectroscopy

International Nuclear Information System (INIS)

Mekni, Omar; Arifa, Hakim; Askri, Besma; Yangui, Béchir; Raouadi, Khaled; Damamme, Gilles

2014-01-01

Usually, the trapping phenomenon in insulating materials is studied by injecting charges using a Scanning Electron Microscope. In this work, we use the dielectric spectroscopy technique for showing a correlation between the dielectric properties and the trapping-charging ability of insulating materials. The evolution of the complex permittivity (real and imaginary parts) as a function of frequency and temperature reveals different types of relaxation according to the trapping ability of the material. We found that the space charge relaxation at low frequencies affects the real part of the complex permittivity ε ′ and the dissipation factor Tan(δ). We prove that the evolution of the imaginary part of the complex permittivity against temperature ε ″ =f(T) reflects the phenomenon of charge trapping and detrapping as well as trapped charge evolution Q p (T). We also use the electric modulus formalism to better identify the space charge relaxation. The investigation of trapping or conductive nature of insulating materials was mainly made by studying the activation energy and conductivity. The conduction and trapping parameters are determined using the Correlated Barrier Hopping (CBH) model in order to confirm the relation between electrical properties and charge trapping ability.

NuSTAR SPECTROSCOPY OF GRS 1915+105: DISK REFLECTION, SPIN, AND CONNECTIONS TO JETS

Energy Technology Data Exchange (ETDEWEB)

Miller, J. M.; King, A. L. [Department of Astronomy, The University of Michigan, 500 Church Street, Ann Arbor, MI 48109-1046 (United States); Parker, M. L.; Fabian, A. C. [Institute of Astronomy, The University of Cambridge, Madingley Road, Cambridge CB3 OHA (United Kingdom); Fuerst, F.; Walton, D. J. [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, Pasadena, CA, 91125 (United States); Bachetti, M.; Harrison, F. A.; Barret, D.; Grefenstette, B. W. [Universite de Toulouse, UPS-OMP, F-31400 Toulouse (France); Boggs, S. E.; Tomsick, J. A. [Space Sciences Laboratory, University of California, Berkeley, 7 Gauss Way, Berkeley, CA 94720-7450 (United States); Chakrabarty, D. [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, 70 Vassar Street, Cambridge, MA 02139 (United States); Christensen, F. E. [Danish Technical University, DK-2800 Lyngby (Denmark); Craig, W. W. [Lawrence Livermore National Laboratory, Livermore, CA (United States); Hailey, C. J. [Columbia University, New York, NY 10027 (United States); Stern, D. K. [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States); Zhang, W. W., E-mail: jonmm@umich.edu [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

2013-10-01

We report on the results of spectral fits made to a NuSTAR observation of the black hole GRS 1915+105 in a 'plateau' state. This state is of special interest because it is similar to the 'low/hard' state seen in other black holes, especially in that compact, steady jets are launched in this phase. The 3-79 keV bandpass of NuSTAR, and its ability to obtain moderate-resolution spectra free from distortions such as photon pile-up, are extremely well suited to studies of disk reflection in X-ray binaries. In only 15 ks of net exposure, an extraordinarily sensitive spectrum of GRS 1915+105 was measured across the full bandpass. Ionized reflection from a disk around a rapidly spinning black hole is clearly required to fit the spectra; even hybrid Comptonization models including ionized reflection from a disk around a Schwarzschild black hole proved inadequate. A spin parameter of a = 0.98 ± 0.01 (1σ statistical error) is measured via the best-fit model; low spins are ruled out at a high level of confidence. This result suggests that jets can be launched from a disk extending to the innermost stable circular orbit. A very steep inner disk emissivity profile is also measured, consistent with models of compact coronae above Kerr black holes. These results support an emerging association between the hard X-ray corona and the base of the relativistic jet.

Characterisation of InAs-based epilayers by FTIR spectroscopy

CSIR Research Space (South Africa)

Baisitse, TR

2008-01-01

Full Text Available In this paper, infrared reflectance spectroscopy was employed to extract information on the optical and electrical properties of metal organic vapour phase epitaxial (MOVPE) grown InAs and InAsSb epilayers. These epitaxial layers were grown on InAs...

Using Raman spectroscopy and SERS for in situ studies of rhizosphere bacteria

Energy Technology Data Exchange (ETDEWEB)

Mohseni, Hooman; Agahi, Massoud H.; Razeghi, Manijeh; Polisetti, Sneha; Baig, Nameera; Bible, Amber; Morrell-Falvey, Jennifer; Doktycz, Mitchel; Bohn, Paul W.

2015-08-21

Bacteria colonize plant roots to form a symbiotic relationship with the plant and can play in important role in promoting plant growth. Raman spectroscopy is a useful technique to study these bacterial systems and the chemical signals they utilize to interact with the plant. We present a Raman study of Pantoea YR343 that was isolated from the rhizosphere of Populus deltoides (Eastern Cottonwood). Pantoea sp. YR343 produce yellowish carotenoid pigment that play a role in protection against UV radiation, in the anti-oxidative pathways and in membrane fluidity. Raman spectroscopy is used to non-invasively characterize the membrane bound carotenoids. The spectra collected from a mutant strain created by knocking out the crtB gene that encodes a phytoene synthase responsible for early stage of carotenoid biosynthesis, lack the carotenoid peaks. Surface Enhanced Raman Spectroscopy is being employed to detect the plant phytoharmone indoleacetic acid that is synthesized by the bacteria. This work describes our recent progress towards utilizing Raman spectroscopy as a label free, non-destructive method of studying plant-bacteria interactions in the rhizosphere.

A spectroelectrochemical cell for ultrafast two-dimensional infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

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

2015-08-15

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

A spectroelectrochemical cell for ultrafast two-dimensional infrared spectroscopy

International Nuclear Information System (INIS)

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

2015-01-01

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

Identification of hydrogen and deuterium at the surface of water ice by reflection electron energy loss spectroscopy

International Nuclear Information System (INIS)

Yubero, F.; Toekesi, K.

2009-01-01

Complete text of publication follows. The study of elastically backscattered electrons from surfaces by reflection electron energy loss spectroscopy (REELS) has been recently recommended as an alternative technique to quantify the H content at the surface of a-C:H and polymer samples. This analysis is based on the fact that the energy loss of the incident electrons due to the recoil effect depends on the atomic mass of the particular atom present at the surface. The observed difference in recoil energies between H and O atoms (about 2 eV for 1.5 keV primary electrons) can be easily measured with standard electron spectrometers used in surface analysis. In this paper we go one step forward to explore if, with the same experimental approach, it is possible to differentiate between hydrogen and deuterium (D) in the surface region of a sample. This capability could be important for technological fields such as surface functionalization, where it is desired to distinguish between H and D at surfaces after interaction with labeled compounds. We have chosen normal and deuterated water as test labeled compounds because this polar molecule is of key importance in numerous surface reactions. It has been shown that H and D can be easily distinguished at the surface of water ice [4] using standard REELS measurements with 1000 - 1650 eV primary-electron energies, i.e., a surface analytical technique. Differences in recoil energies of the O - H and O - D atom pairs present in H 2 O and D 2 O have been found to agree with MC simulations (see Fig.1). There are many possible applications of H and D detection by REELS. Among many others, this study opens the possibility of nondestructive studies of deuterium-labeled atoms present or adsorbed on surfaces. For example, studies of H incorporation into a polymer or carbonbased surface after plasma activation with gas mixtures with several labeled molecules containing H atoms. Acknowledgements F.Y. thanks the Spanish Ministry of Science

Determination of quality parameters of beers by the use of attenuated total reflectance-Fourier transform infrared spectroscopy.

Science.gov (United States)

Llario, Rafael; Iñón, Fernando A; Garrigues, Salvador; de la Guardia, Miguel

2006-04-15

The estimation of important quality parameters of beers, such as original and real extracts and alcohol content, has been evaluated by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) using a partial least square (PLS) calibration approach. Two sample populations, one consisting of 24 samples and other of 21 samples, obtained from the Spanish market and covering different types of beer were used. The first set was used for building and validating the model, whereas the second, measured 6 months after, was used for evaluating its robustness. The spectral range and the size of the calibration set and its suitability for building the PLS model have been evaluated. Considering a calibration set comprised of 12 samples, selected via hierarchical cluster analysis, and a validation data set of 11 samples, the absolute mean difference (d(x-y)) and standard deviation of mean differences (s(x-y)) of the real extract, original extract and alcohol content were 0.009 and 0.069% (w/w), -0.021 and 0.20% (w/w) and -0.003 and 0.130% (v/v), respectively. The maximum error for the prediction of any of these three parameters for a new sample did not exceed 2.5%. These values were practically invariant for both tested data sets. The developed methodology favourably compares with the automatic reference methodology in terms of speed and reagent consumption and waste generation.

Hearing Nurses' Voices through Reflection in Women's Studies.

Science.gov (United States)

Doran, Frances M.; Cameron, Catherine C.

1998-01-01

Analysis of reflective papers by nursing students in women's studies courses revealed these themes: women's ambivalence about feminism, raised consciousness, empowerment, and desire for change. The importance of women's studies to the female-dominated profession of nursing was stressed. (SK)

Dedicated detectors for surface studies by Moessbauer spectroscopy

International Nuclear Information System (INIS)

Bibicu, I.; Rogalski, M.S.; Nicolescu, G.

2001-01-01

Moessbauer spectroscopy is a nuclear resonance method largely utilized in solid state studies. Following resonant nuclear absorption, gamma radiations, conversion X-rays, conversion or Auger electrons are emitted. By detection of gamma radiations information about the sample as a whole are obtained while by detection of electrons or X radiation one obtains data on the surface layer. Our laboratory was among the firsts to produce and use flow gas proportional detectors for surface studies by Moessbauer spectroscopy. Four types of detectors were devised: - detectors for electron detection (90% He + 10% CH 4 ); - detectors for conversion X-ray detection (90% Ar + 10% CH 4 ); - detectors for electrons or internal conversion X rays; - detectors for simultaneous detection of electrons and conversion X rays emitted from the same source. All detectors allow simultaneous Moessbauer measurements both for surface and volume for a given sample. Details of construction are presented for the four types of detectors

Positron Annihilation Ratio Spectroscopy Study of Electric Fields Applied to Positronium at Material Interfaces

Science.gov (United States)

2011-03-01

from 142 ns to a few ns [3:3]. Through the application of positron annihilation lifetime spectroscopy (PALS) on a material, the o-Ps lifetime can be...Force Base, Ohio APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED. POSITRON ANNIHILATION RATIO SPECTROSCOPY STUDY OF ELECTRIC FIELDS APPLIED TO...protection in the United States. AFIT/GNE/ENP/11-M19 POSITRON ANNIHILATION RATIO SPECTROSCOPY STUDY OF ELECTRIC FIELDS APPLIED TO POSITRONIUM AT

A system for the obtention and analysis of diffuse reflection spectra from biological tissue

International Nuclear Information System (INIS)

La Cadena, A. de; La Rosa, J. de; Stolik, S.

2012-01-01

The diffuse reflection spectroscopy is a technique with is possible to study biological tissue. In the field of the biomedical applications is useful for diagnostic purposes, since is possible to analyze biological tissue in a non invasive way. also, can be used with therapeutical purposes, for example in photodynamic therapy or laser surgery because with this technique it can be determined the biological effects produced by these treatments. In this paper is shown the development of a system to obtain and analyze diffuse reflection spectra of biological tissues, using a LED as a light source, that emits light between 400-700nm. The system has an interface for the regulation of the emittance of the LED. For diffuse reflectance spectra analysis, we use an HR4000CG-UV-NIR spectrometer. (Author)

Integrating sphere based reflectance measurements for small-area semiconductor samples

Science.gov (United States)

Saylan, S.; Howells, C. T.; Dahlem, M. S.

2018-05-01

This article describes a method that enables reflectance spectroscopy of small semiconductor samples using an integrating sphere, without the use of additional optical elements. We employed an inexpensive sample holder to measure the reflectance of different samples through 2-, 3-, and 4.5-mm-diameter apertures and applied a mathematical formulation to remove the bias from the measured spectra caused by illumination of the holder. Using the proposed method, the reflectance of samples fabricated using expensive or rare materials and/or low-throughput processes can be measured. It can also be incorporated to infer the internal quantum efficiency of small-area, research-level solar cells. Moreover, small samples that reflect light at large angles and develop scattering may also be measured reliably, by virtue of an integrating sphere insensitive to directionalities.

A reverse Monte Carlo method for deriving optical constants of solids from reflection electron energy-loss spectroscopy spectra

International Nuclear Information System (INIS)

Da, B.; Sun, Y.; Ding, Z. J.; Mao, S. F.; Zhang, Z. M.; Jin, H.; Yoshikawa, H.; Tanuma, S.

2013-01-01

A reverse Monte Carlo (RMC) method is developed to obtain the energy loss function (ELF) and optical constants from a measured reflection electron energy-loss spectroscopy (REELS) spectrum by an iterative Monte Carlo (MC) simulation procedure. The method combines the simulated annealing method, i.e., a Markov chain Monte Carlo (MCMC) sampling of oscillator parameters, surface and bulk excitation weighting factors, and band gap energy, with a conventional MC simulation of electron interaction with solids, which acts as a single step of MCMC sampling in this RMC method. To examine the reliability of this method, we have verified that the output data of the dielectric function are essentially independent of the initial values of the trial parameters, which is a basic property of a MCMC method. The optical constants derived for SiO 2 in the energy loss range of 8-90 eV are in good agreement with other available data, and relevant bulk ELFs are checked by oscillator strength-sum and perfect-screening-sum rules. Our results show that the dielectric function can be obtained by the RMC method even with a wide range of initial trial parameters. The RMC method is thus a general and effective method for determining the optical properties of solids from REELS measurements.

Study on the prediction of soil heavy metal elements content based on visible near-infrared spectroscopy.

Science.gov (United States)

Liu, Jinbao; Zhang, Yang; Wang, Huanyuan; Du, Yichun

2018-06-15

The estimation of soils heavy metal content can reflect the impending surroundings of surface, which lays theoretical foundation for using covered vegetation to monitor environment and investigate resource. In this study, the contents of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb in 44 soil samples were collected from Fufeng County, Yangling County and Wugong County, Shaanxi Province and were used as data sources. ASD FieldSpec HR (350-2500nm), and then the NOR, MSC and SNV of the reflectance were pretreated, the first deviation, second deviation and reflectance reciprocal logarithmic transformation were carried out. The optimal spectroscopy estimation model of nine heavy metal elements of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb was established by regression method. Comparing the diffuse reflectance characteristics of different heavy metal contents and the effect of different pretreatment methods on the establishment of soil heavy metal spectral inversion model. The results of chemical analysis show that there was a serious Hg pollution in the study area, and the Cd content was close to the critical value. The results show that: (1) NOR, MSC and SNV were adopted for the acquisition of visible near-infrared. Combining differential transformation can improve the information of heavy metal elements in the soil, and use the correlation band energy Significantly improve the stability and predictability of the model. (2) The modeling accuracy of the optimal model of nine heavy metal spectra of Cr, Mn, Ni, Cu, Zn, As, Cd, Hg and Pb by PLSR method were 0.70, 0.79, 0.69, 0.81, 0.86, 0.58, 0.55, 0.99, 0.62. (3) The optimal estimation model of different elements using different treatment methods has better stability and higher precision, and can realize the rapid prediction of nine kinds of heavy metal elements in this region. Copyright © 2018 Elsevier B.V. All rights reserved.

Plasmonic properties of gold nanoparticles on silicon substrates: Understanding Fano-like spectra observed in reflection

Science.gov (United States)

Bossard-Giannesini, Léo; Cruguel, Hervé; Lacaze, Emmanuelle; Pluchery, Olivier

2016-09-01

Gold nanoparticles (AuNPs) are known for their localized surface plasmon resonance (LSPR) that can be measured with UV-visible spectroscopy. AuNPs are often deposited on silicon substrates for various applications, and the LSPR is measured in reflection. In this case, optical spectra are measured by surface differential reflectance spectroscopy (SDRS) and the absorbance exhibits a negative peak. This article studies both experimentally and theoretically on the single layers of 16 nm diameter spherical gold nanoparticles (AuNPs) grafted on silicon. The morphology and surface density of AuNPs were investigated by atomic force microscopy (AFM). The plasmon response in transmission on the glass substrate and in reflection on the silicon substrate is described by an analytical model based on the Fresnel equations and the Maxwell-Garnett effective medium theory (FMG). The FMG model shows a strong dependence to the incidence angle of the light. At low incident angles, the peak appears negatively with a shallow intensity, and at angles above 30°, the usual positive shape of the plasmon is retrieved. The relevance of the FMG model is compared to the Mie theory within the dipolar approximation. We conclude that no Fano effect is responsible for this derivative shape. An easy-to-use formula is derived that agrees with our experimental data.

Student Reflection Papers on a Global Clinical Experience: A Qualitative Study.

Science.gov (United States)

Margolis, Carmi Z; Rohrbaugh, Robert M; Tsang, Luisa; Fleischer, Jennifer; Graham, Mark J; Kellett, Anne; Hafler, Janet P

Many of the 70,000 graduating US medical students [per year] have reported participating in a global health activity at some stage of medical school. This case study design provided a method for understanding the student's experience that included student's learning about culture, health disparities, exposure and reaction to a range of diseases actually encountered. The broad diversity of themes among students indicated that the GCE provided a flexible, personalized experience. We need to understand the student's experience in order to help design appropriate curricular experiences [and valid student assessment]. Our research aim was to analyze medical student reflection papers to understand how they viewed their Global Clinical Experience (GCE). A qualitative case study design was used to analyze student reflection papers. All 28 students who participated in a GCE from 2008-2010 and in 2014-2015 and submitted a reflection paper on completion of the GCE were eligible to participate in the study. One student did not submit a reflection paper and was not included in the study. All 27 papers were coded by paragraph for reflection and for themes. System of Care/Range of Care was mentioned most often, Aids to Adjustment Process was mentioned least. The theme, "Diseases," referred to any mention of a disease in the reflection papers, and 44 diseases were mentioned in the papers. The analysis for depth of reflection yielded the following data: Observation, 81/248 paragraphs; Observation and Interpretation, 130/248 paragraphs; and Observation, Interpretation, and Suggestions for change, 36/248 paragraphs; 9 reflection papers contained 27 separate accounts of a transformational experience. This study provided a method for understanding the student's experience that included student's learning about culture, health disparities, and exposure and reaction to a range of diseases actually encountered. The broad diversity of themes among students indicated that the GCE provided a

Students' Stories of Studying Abroad: Reflections upon Return

Science.gov (United States)

Costello, Jane

2015-01-01

Study abroad brings an enriching experience to students' academic and personal lives. This narrative essay relays two students' experiences with study abroad sojourns and touches upon their technology use during their study abroad as recounted in semi-structured interviews. Details of their cultural experiences and reflections thereof as well as…

HIFI - a dedicated HIgh-FIeld diffraction and spectroscopy instrument

International Nuclear Information System (INIS)

Steffens, P.; Enderle, M.; Boehm, M.; Roux, S.

2011-01-01

The outstanding scientific impact of single-crystal neutron diffraction and spectroscopy in steady state vertical magnetic fields up to 15 T (17 T without dilution fringe) is reflected in numerous high-profile publications. Magnetic fields 30 T - 35 T in vertical geometry allow to address enigmatic questions without equivalence at lower fields. The constraints implied by such magnetic fields demand a specially designed dedicated instrument. Since the vertical field geometry is crucial for single-crystal diffraction as well as spectroscopy, the solid angle of scattered neutrons is restricted, and a high-flux reactor is best suited to host a corresponding instrument. We propose a world-wide unique versatile instrument for diffraction and spectroscopy in vertical steady fields of 30 T. (authors)

Near-infrared spectroscopy and microstructure of the scales of Sabethes ( Sabethes albiprivus (Diptera: Culicidae

Directory of Open Access Journals (Sweden)

Betina Westphal-Ferreira

Full Text Available ABSTRACT Near-infrared spectroscopy and microstructure of the scales of Sabethes (Sabethes albiprivus (Diptera: Culicidae. Sabethes (Sabethes albiprivus Theobald individuals vary considerably in size and color of the reflections of the scales on their thorax, abdomen, antepronotal lobes and occiput. The goal of this study was to investigate and to characterize the differences in the color of the scales among preserved specimens and to analyze the differences in the microstructures of the scales that cover their bodies using near-infrared spectroscopy, and to evaluate whether the latter is efficient in distinguishing the populations. A total of 201 adult females were analyzed for the characterization of color patterns. In addition, absorbance spectra and scanning electron microscope images were obtained from them. As a result of color analysis, two variations were identified, one represented by specimens with yellow or green scales and the other with blue or purple scales. The same two variations were corroborated using NIRS. Analysis of the microstructure of the scales lining the mesonotum, occiput and antepronotal lobes resulted in the same variations. The three methodologies, near-infrared spectroscopy, scanning electron microscopy and coloration of the reflections of the scales revealed two variations within Sa. albiprivus.

Charge-Transfer Complexes Studied by Dynamic Force Spectroscopy

Directory of Open Access Journals (Sweden)

Jurriaan Huskens

2013-03-01

Full Text Available In this paper, the strength and kinetics of two charge-transfer complexes, naphthol-methylviologen and pyrene-methylviologen, are studied using dynamic force spectroscopy. The dissociation rates indicate an enhanced stability of the pyrene-methylviologen complex, which agrees with its higher thermodynamic stability compared to naphthol-methylviologen complex.

Polarization Studies in Fast-Ion Beam Spectroscopy

International Nuclear Information System (INIS)

Trabert, E

2001-01-01

In a historical review, the observations and the insight gained from polarization studies of fast ions interacting with solid targets are presented. These began with J. Macek's recognition of zero-field quantum beats in beam-foil spectroscopy as indicating alignment, and D.G. Ellis' density operator analysis that suggested the observability of orientation when using tilted foils. Lastly H. Winter's studies of the ion-beam surface interaction at grazing incidence yielded the means to produce a high degree of nuclear orientation in ion beams

Enhanced Single Seed Trait Predictions in Soybean (Glycine max) and Robust Calibration Model Transfer with Near-Infrared Reflectance Spectroscopy.

Science.gov (United States)

Hacisalihoglu, Gokhan; Gustin, Jeffery L; Louisma, Jean; Armstrong, Paul; Peter, Gary F; Walker, Alejandro R; Settles, A Mark

2016-02-10

Single seed near-infrared reflectance (NIR) spectroscopy predicts soybean (Glycine max) seed quality traits of moisture, oil, and protein. We tested the accuracy of transferring calibrations between different single seed NIR analyzers of the same design by collecting NIR spectra and analytical trait data for globally diverse soybean germplasm. X-ray microcomputed tomography (μCT) was used to collect seed density and shape traits to enhance the number of soybean traits that can be predicted from single seed NIR. Partial least-squares (PLS) regression gave accurate predictive models for oil, weight, volume, protein, and maximal cross-sectional area of the seed. PLS models for width, length, and density were not predictive. Although principal component analysis (PCA) of the NIR spectra showed that black seed coat color had significant signal, excluding black seeds from the calibrations did not impact model accuracies. Calibrations for oil and protein developed in this study as well as earlier calibrations for a separate NIR analyzer of the same design were used to test the ability to transfer PLS regressions between platforms. PLS models built from data collected on one NIR analyzer had minimal differences in accuracy when applied to spectra collected from a sister device. Model transfer was more robust when spectra were trimmed from 910 to 1679 nm to 955-1635 nm due to divergence of edge wavelengths between the two devices. The ability to transfer calibrations between similar single seed NIR spectrometers facilitates broader adoption of this high-throughput, nondestructive, seed phenotyping technology.

High-resolution seismic reflection study, Vacherie Dome

International Nuclear Information System (INIS)

1984-06-01

A high-resolution seismic reflection study, consisting of recording, processing, and interpreting four seismic reflection lines, was made at Vacherie Dome, Louisiana. The presumed shape of the dome, as pictured in the geologic area characterization report by Law Engineering Testing Company in 1982, was based largely on interpretation of gravity data, constrained by a few wells and exploration-type seismic profiles. The purpose of the study was to obtain refined profiles of the dome above -914 m (-3000 ft) elevation. Additional study had been recommended by Louisiana State University in 1967 and the Office of Nuclear Waste Isolation in 1981 because the interpreted size of Vacherie Dome was based on limited seismic and gravity data. Forty-eight traces of seismic data were recorded each time shots were made to generate energy. Twelve-fold, common-depth-point data were obtained using geophone stations spaced at 15-m (50-ft) intervals with shots at 30-m (100-ft) intervals. The time-sampling interval used was 1 ms. Processing intended to enhance resolution included iterative static corrections, deconvolution before stacking, and both time- and depth-migration. The locations of the steep dome sides were inferred primarily from terminations of strong reflections (migrated) from strata near the top of the upper and lower Cretaceous sections. This interpretation agrees closely with the presumed shape from the top of the dome to about -610 m (-2000 ft) elevation, but below this on three of the profiles, this interpretation indicates a steeper salt face than the presumed shape. The area reduction at -914 m (-3000 ft) elevation is estimated to be on the order of 20 percent. 10 references, 11 figures, 4 tables

Elevated brain lactate in schizophrenia: a 7 T magnetic resonance spectroscopy study.

Science.gov (United States)

Rowland, L M; Pradhan, S; Korenic, S; Wijtenburg, S A; Hong, L E; Edden, R A; Barker, P B

2016-11-29

Various lines of evidence suggest that brain bioenergetics and mitochondrial function may be altered in schizophrenia. On the basis of prior phosphorus-31 ( 31 P)-magnetic resonance spectroscopy (MRS), post-mortem and preclinical studies, this study was designed to test the hypothesis that abnormal glycolysis leads to elevated lactate concentrations in subjects with schizophrenia. The high sensitivity of 7 Tesla proton ( 1 H)-MRS was used to measure brain lactate levels in vivo. Twenty-nine controls and 27 participants with schizophrenia completed the study. MRS scanning was conducted on a Philips 'Achieva' 7T scanner, and spectra were acquired from a voxel in the anterior cingulate cortex. Patients were assessed for psychiatric symptom severity, and all participants completed the MATRICS Consensus Cognitive Battery (MCCB) and University of California, San Diego Performance-Based Skills Assessment (UPSA). The relationship between lactate, psychiatric symptom severity, MCCB and UPSA was examined. Lactate was significantly higher in patients compared with controls (P=0.013). Higher lactate was associated with lower MCCB (r=-0.36, P=0.01) and UPSA total scores (r=-0.43, P=0.001). We believe this is the first study to report elevated in vivo cerebral lactate levels in schizophrenia. Elevated lactate levels in schizophrenia may reflect increased anaerobic glycolysis possibly because of mitochondrial dysfunction. This study also suggests that altered cerebral bioenergetics contribute to cognitive and functional impairments in schizophrenia.

Magnetic resonance spectroscopy studies in migraine

Energy Technology Data Exchange (ETDEWEB)

Montagna, P.; Cortelli, P.; Barbiroli, B. (Inst. of Medical Pathology, Univ. of Bologna (Italy))

1994-06-01

The authors describe the method of [sup 31]phosphorus magnetic resonance spectroscopy and review the results when it is applied to the study of brain and muscle energy metabolism in migraine subjects. Brain energy metabolism appears to be abnormal in all major subtypes of migraine when measured both during and between attacks. Impaired energy metabolism is also documented in skeletal muscle. It is suggested that migraine is associated with a generalized disorder of mitochondrial oxidative phosphorylation and that this may constitute a threshold for the triggering of migraine attacks. 47 refs., 10 figs., 3 tabs.

Synthesis, spectroscopy, thermal studies and supramolecular ...

Indian Academy of Sciences (India)

TECS

Synthesis, spectroscopy, thermal studies and supramolecular structures of two .... J = 9 Hz), 8∙13 (d, 2H, J = 9 Hz), 7∙69 (s, 1H), 7∙04. (s, 2H). ... 1H NMR (D2O): δ (in ppm); 8∙05 (d, 2H, ..... 86∙33 (2). 86∙92(1). 87∙08(2). V (Ε3). 553∙1(6). 573∙71(5). 561∙56(14). 557∙5(3) .... Mn, Co and Ni complexes.28–30 The observed inter-.

Numerical Study on Critical Wedge Angle of Cellular Detonation Reflections

International Nuclear Information System (INIS)

Gang, Wang; Kai-Xin, Liu; De-Liang, Zhang

2010-01-01

The critical wedge angle (CWA) for the transition from regular reflection (RR) to Mach reflection (MR) of a cellular detonation wave is studied numerically by an improved space-time conservation element and solution element method together with a two-step chemical reaction model. The accuracy of that numerical way is verified by simulating cellular detonation reflections at a 19.3° wedge. The planar and cellular detonation reflections over 45°–55° wedges are also simulated. When the cellular detonation wave is over a 50° wedge, numerical results show a new phenomenon that RR and MR occur alternately. The transition process between RR and MR is investigated with the local pressure contours. Numerical analysis shows that the cellular structure is the essential reason for the new phenomenon and the CWA of detonation reflection is not a certain angle but an angle range. (fundamental areas of phenomenology(including applications))

Admittance spectroscopy or deep level transient spectroscopy: A contrasting juxtaposition

Science.gov (United States)

Bollmann, Joachim; Venter, Andre

2018-04-01

A comprehensive understanding of defects in semiconductors remains of primary importance. In this paper the effectiveness of two of the most commonly used semiconductor defect spectroscopy techniques, viz. deep level transient spectroscopy (DLTS) and admittance spectroscopy (AS) are reviewed. The analysis of defects present in commercially available SiC diodes shows that admittance spectroscopy allows the identification of deep traps with reduced measurement effort compared to deep Level Transient Spectroscopy (DLTS). Besides the N-donor, well-studied intrinsic defects were detected in these diodes. Determination of their activation energy and defect density, using the two techniques, confirm that the sensitivity of AS is comparable to that of DLTS while, due to its well defined peak shape, the spectroscopic resolution is superior. Additionally, admittance spectroscopy can analyze faster emission processes which make the study of shallow defects more practical and even that of shallow dopant levels, possible. A comparative summary for the relevant spectroscopic features of the two capacitance methods are presented.

Neutron reflectivity studies of ionomer blends

CERN Document Server

Gabrys, B J; Bucknall, D G; Vesely, D; Braiewa, R; Weiss, R A

2002-01-01

Preliminary results are presented of a neutron reflectivity study of the interfacial width between lithium- and zinc-sulphonated deuterated polystyrene with polycarbonate (PC). Both systems are partially miscible and exhibit an upper critical solution temperature behaviour. The interdiffusion in these systems was measured by annealing at a temperature above the glass-transition temperature of both polymers. The interfacial profiles obtained for these systems were described by symmetric Gaussian interfaces. No significant diffusion was observed. (orig.)

Application of micro-attenuated total reflectance Fourier transform infrared spectroscopy to ink examination in signatures written with ballpoint pen on questioned documents.

Science.gov (United States)

Nam, Yun Sik; Park, Jin Sook; Lee, Yeonhee; Lee, Kang-Bong

2014-05-01

Questioned documents examined in a forensic laboratory sometimes contain signatures written with ballpoint pen inks; these signatures were examined to assess the feasibility of micro-attenuated total reflectance (ATR) Fourier transform infrared (FTIR) spectroscopy as a forensic tool. Micro-ATR FTIR spectra for signatures written with 63 ballpoint pens available commercially in Korea were obtained and used to construct an FTIR spectral database. A library-searching program was utilized to identify the manufacturer, blend, and model of each black ballpoint pen ink based upon their FTIR peak intensities, positions, and patterns in the spectral database. This FTIR technique was also successfully used in determining the sequence of homogeneous line intersections from the crossing lines of two ballpoint pen signatures. We have demonstrated with a set of sample documents that micro-ATR FTIR is a viable nondestructive analytical method that can be used to identify the origin of the ballpoint pen ink used to mark signatures. © 2014 American Academy of Forensic Sciences.

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

Science.gov (United States)

Pfeifer, Marcel; Ruf, Alexander; Fischer, Peer

2013-11-04

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

Evaluating Leaf and Canopy Reflectance of Stressed Rice Plants to Monitor Arsenic Contamination

Directory of Open Access Journals (Sweden)

Varaprasad Bandaru

2016-06-01

Full Text Available Arsenic contamination is a serious problem in rice cultivated soils of many developing countries. Hence, it is critical to monitor and control arsenic uptake in rice plants to avoid adverse effects on human health. This study evaluated the feasibility of using reflectance spectroscopy to monitor arsenic in rice plants. Four arsenic levels were induced in hydroponically grown rice plants with application of 0, 5, 10 and 20 µmol·L−1 sodium arsenate. Reflectance spectra of upper fully expanded leaves were acquired over visible and infrared (NIR wavelengths. Additionally, canopy reflectance for the four arsenic levels was simulated using SAIL (Scattering by Arbitrarily Inclined Leaves model for various soil moisture conditions and leaf area indices (LAI. Further, sensitivity of various vegetative indices (VIs to arsenic levels was assessed. Results suggest that plants accumulate high arsenic amounts causing plant stress and changes in reflectance characteristics. All leaf spectra based VIs related strongly with arsenic with coefficient of determination (r2 greater than 0.6 while at canopy scale, background reflectance and LAI confounded with spectral signals of arsenic affecting the VIs’ performance. Among studied VIs, combined index, transformed chlorophyll absorption reflectance index (TCARI/optimized soil adjusted vegetation index (OSAVI exhibited higher sensitivity to arsenic levels and better resistance to soil backgrounds and LAI followed by red edge based VIs (modified chlorophyll absorption reflectance index (MCARI and TCARI suggesting that these VIs could prove to be valuable aids for monitoring arsenic in rice fields.

ChemCam passive reflectance spectroscopy of surface materials at the Curiosity landing site, Mars

Science.gov (United States)

Johnson, Jeffrey R.; Bell, J. F.; Bender, S.; Blaney, D.; Cloutis, E.; DeFlores, L.; Ehlmann, B.; Gasnault, O.; Gondet, B.; Kinch, K.; Lemmon, M.; Le Mouélic, S.; Maurice, S.; Rice, M.; Wiens, R. C.

2015-03-01

The spectrometers on the Mars Science Laboratory (MSL) ChemCam instrument were used in passive mode to record visible/near-infrared (400-840 nm) radiance from the martian surface. Using the onboard ChemCam calibration targets' housing as a reflectance standard, we developed methods to collect, calibrate, and reduce radiance observations to relative reflectance. Such measurements accurately reproduce the known reflectance spectra of other calibration targets on the rover, and represent the highest spatial resolution (0.65 mrad) and spectral sampling (rocks and soils match those from orbital observations and multispectral data from the MSL Mastcam camera. Preliminary analyses of the band depths, spectral slopes, and reflectance ratios of the more than 2000 spectra taken during the first year of MSL operations demonstrate at least six spectral classes of materials distinguished by variations in ferrous and ferric components. Initial comparisons of ChemCam spectra to laboratory spectra of minerals and Mars analog materials demonstrate similarities with palagonitic soils and indications of orthopyroxene in some dark rocks. Magnesium-rich "raised ridges" tend to exhibit distinct near-infrared slopes. The ferric absorption downturn typically found for martian materials at rocks and drill tailings, consistent with their more ferrous nature. Calcium-sulfate veins exhibit the highest relative reflectances observed, but are still relatively red owing to the effects of residual dust. Such dust is overall less prominent on rocks sampled within the "blast zone" immediately surrounding the landing site. These samples were likely affected by the landing thrusters, which partially removed the ubiquitous dust coatings. Increased dust coatings on the calibration targets during the first year of the mission were documented by the ChemCam passive measurements as well. Ongoing efforts to model and correct for this dust component should improve calibration of the relative reflectance

Use of FT-NIR Spectroscopy for Bovine Colostrum Analysis

Directory of Open Access Journals (Sweden)

P. Navrátilová

2006-01-01

Full Text Available Fourier transformation near infrared spectroscopy (FT-NIR in combination with partial least squares (PLS method were used to determine the content of total solids, fat, non-fatty solids, lactose and proteins in bovine colostrum. Spectra of 90 samples were measured in the reflectance mode with a transflectance cuvette in the 10000-4000 cm-1 spectral ranges with 100 scans. Calibration was performed and statistical values of correlation coefficients (R and standard error of calibration values (SEC were computed for total solids (0.986 and 0.919, respectively, fat (0.997 and 0.285, respectively, non-fatty solids (0.995 and 0.451, respectively, lactose (0.934 and 0.285, respectively and protein (0.999 and 0.149, respectively. The calibration models developed were verified by cross validation. It follows from the study that FT-NIR spectroscopy can be used to determine the components of bovine colostrum.

Adults with attention-deficit/hyperactivity disorder - a brain magnetic resonance spectroscopy study

DEFF Research Database (Denmark)

Dramsdahl, Margaretha; Ersland, Lars; Plessen, Kerstin J

2011-01-01

Background: Impaired cognitive control in individuals with attention-deficit/hyperactivity disorder (ADHD) may be related to a prefrontal cortical glutamatergic deficit. We assessed the glutamate level in the left and the right midfrontal region including the anterior cingulate cortex in adults...... groups. Results: The ADHD group showed a significant reduction of Glu/Cre in the left midfrontal region compared to the controls. Conclusion: The reduction of Glu/Cre in the left midfrontal region in the ADHD group may reflect a glutamatergic deficit in prefrontal neuronal circuitry in adults with ADHD...... with ADHD and healthy controls. Methods: Twenty-nine adults with ADHD and 38 healthy controls were included. We used Proton Magnetic Resonance Imaging with single voxel point-resolved spectroscopy to measure the ratio of glutamate to creatine (Glu/Cre) in the left and the right midfrontal region in the two...

Study of the structural modifications in activated clays by Moessbauer spectroscopy and X-ray diffractometry

Energy Technology Data Exchange (ETDEWEB)

Huaypar, Yezena, E-mail: yhuaypar@yahoo.es; Bravo, Jorge, E-mail: jbravoc@unmsm.edu.pe [Universidad Nacional Mayor de San Marcos, Facultad de Ciencias Fisicas (Peru); Gutarra, Abel; Gabriel, Erika [Universidad Nacional de Ingenieria, Facultad de Ciencias (Peru)

2007-02-15

In this work we study the changes induced on the structure of a smectite clay by chemical acid activation with HCl using X-ray diffractometry (XRD) and transmission Moessbauer spectroscopy (TMS) techniques. By XRD we were able to determine the mineralogical composition of the clay samples and measure the changes in the interplanar distance associated to the structural modifications in the clays. We measured a reduction in the interplanar distance and reflection intensity as the acid concentration in the activation process increased. TMS allowed us identify and characterize the structural sites occupied by ferric and ferrous iron cations. In addition, we were able to monitor the effects caused by the chemical acid activation on the valence state of the iron cations that occupy these structural sites in the clay. For the treatment at low acid concentration, keeping time and temperature of activation constant, our results showed a strong effect on the ferrous and ferric iron sites, reducing and increasing their adsorption relative areas respectively.

Study of the structural modifications in activated clays by Moessbauer spectroscopy and X-ray diffractometry

International Nuclear Information System (INIS)

Huaypar, Yezena; Bravo, Jorge; Gutarra, Abel; Gabriel, Erika

2007-01-01

In this work we study the changes induced on the structure of a smectite clay by chemical acid activation with HCl using X-ray diffractometry (XRD) and transmission Moessbauer spectroscopy (TMS) techniques. By XRD we were able to determine the mineralogical composition of the clay samples and measure the changes in the interplanar distance associated to the structural modifications in the clays. We measured a reduction in the interplanar distance and reflection intensity as the acid concentration in the activation process increased. TMS allowed us identify and characterize the structural sites occupied by ferric and ferrous iron cations. In addition, we were able to monitor the effects caused by the chemical acid activation on the valence state of the iron cations that occupy these structural sites in the clay. For the treatment at low acid concentration, keeping time and temperature of activation constant, our results showed a strong effect on the ferrous and ferric iron sites, reducing and increasing their adsorption relative areas respectively.

Testing the Kerr Black Hole Hypothesis Using X-Ray Reflection Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Bambi, Cosimo; Nampalliwar, Sourabh [Center for Field Theory and Particle Physics and Department of Physics, Fudan University, 200433 Shanghai (China); Cárdenas-Avendaño, Alejandro [Programa de Matemática, Fundación Universitaria Konrad Lorenz, 110231 Bogotá (Colombia); Dauser, Thomas [Remeis Observatory and ECAP, Universität Erlangen-Nürnberg, D-96049 Bamberg (Germany); García, Javier A., E-mail: bambi@fudan.edu.cn [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States)

2017-06-20

We present the first X-ray reflection model for testing the assumption that the metric of astrophysical black holes is described by the Kerr solution. We employ the formalism of the transfer function proposed by Cunningham. The calculations of the reflection spectrum of a thin accretion disk are split into two parts: the calculation of the transfer function and the calculation of the local spectrum at any emission point in the disk. The transfer function only depends on the background metric and takes into account all the relativistic effects (gravitational redshift, Doppler boosting, and light bending). Our code computes the transfer function for a spacetime described by the Johannsen metric and can easily be extended to any stationary, axisymmetric, and asymptotically flat spacetime. Transfer functions and single line shapes in the Kerr metric are compared to those calculated from existing codes to check that we reach the necessary accuracy. We also simulate some observations with NuSTAR and LAD/eXTP and fit the data with our new model to show the potential capabilities of current and future observations to constrain possible deviations from the Kerr metric.

[Study on predicting sugar content and valid acidity of apples by near infrared diffuse reflectance technique].

Science.gov (United States)

Liu, Yan-de; Ying, Yi-bin; Fu, Xia-ping

2005-11-01

The nondestructive method for quantifying sugar content (SC) and available acid (VA) of intact apples using diffuse near infrared reflectance and optical fiber sensing techniques were explored in the present research. The standard sample sets and prediction models were established by partial least squares analysis (PLS). A total of 120 Shandong Fuji apples were tested in the wave number of 12,500 - 4000 cm(-1) using Fourier transform near infrared spectroscopy. The results of the research indicated that the nondestructive quantification of SC and VA, gave a high correlation coefficient 0.970 and 0.906, a low root mean square error of prediction (RMSEP) 0.272 and 0.056 2, a low root mean square error of calibration (RMSEC) 0.261 and 0.0677, and a small difference between RMSEP and RMSEC 0.011 a nd 0.0115. It was suggested that the diffuse nearinfrared reflectance technique be feasible for nondestructive determination of apple sugar content in the wave number range of 10,341 - 5461 cm(-1) and for available acid in the wave number range of 10,341 - 3818 cm(-1).

Using anonymized reflection to teach ethics: a pilot study.

Science.gov (United States)

Kyle, Gaye

2008-01-01

Anonymized reflection was employed as an innovative way of teaching ethics in order to enhance students' ability in ethical decision making during a Care of the Dying Patient and Family' module. Both qualitative and quantitative data were collected from the first two student cohorts who experienced anonymized reflection ( n = 24). The themes identified were the richness and relevance of scenarios, small-group work and a team approach to teaching. Students indicated that they preferred this style of teaching. This finding was verified by a postal questionnaire conducted four months later. The conclusions drawn from this study suggest that using anonymized reflection is an effective method for teaching ethics to nurses and indicates that learning about ethical issues in this way reduces uncertainties.

Electron paramagnetic resonance and Raman spectroscopy studies on carbon-doped MgB2 superconductor nanomaterials

International Nuclear Information System (INIS)

Bateni, Ali; Somer, Mehmet; Erdem, Emre; Repp, Sergej; Weber, Stefan; Acar, Selcuk; Kokal, Ilkin; Häßler, Wolfgang

2015-01-01

Undoped and carbon-doped magnesium diboride (MgB 2 ) samples were synthesized using two sets of mixtures prepared from the precursors, amorphous nanoboron, and as-received amorphous carbon-doped nanoboron. The microscopic defect structures of carbon-doped MgB 2 samples were systematically investigated using X-ray powder diffraction, Raman and electron paramagnetic resonance spectroscopy. Mg vacancies and C-related dangling-bond active centers could be distinguished, and sp 3 -hybridized carbon radicals were detected. A strong reduction in the critical temperature T c was observed due to defects and crystal distortion. The symmetry effect of the latter is also reflected on the vibrational modes in the Raman spectra