WorldWideScience

Sample records for infrared spectroscopic characterization

  1. Mid-infrared spectroscopic investigation

    International Nuclear Information System (INIS)

    Walter, L.; Vergo, N.; Salisbury, J.W.

    1987-01-01

    Mid-infrared spectroscopic research efforts are discussed. The development of a new instrumentation to permit advanced measurements in the mid-infrared region of the spectrum, the development of a special library of well-characterized mineral and rock specimens for interpretation of remote sensing data, and cooperative measurements of the spectral signatures of analogues of materials that may be present on the surfaces of asteroids, planets or their Moons are discussed

  2. Biodegradable starch-based films containing saturated fatty acids: thermal, infrared and raman spectroscopic characterization

    Directory of Open Access Journals (Sweden)

    Marcelo M. Nobrega

    Full Text Available Biodegradable films of thermoplastic starch and poly (butylene adipate co-terephthalate (PBAT containing fatty acids were characterized thermally and with infrared and Raman spectroscopies. The symmetrical character of the benzene ring in PBAT provided a means to illustrate the difference between these spectroscopic techniques, because a band appeared in the Raman spectrum but not in the infrared. The thermal analysis showed three degradation stages related to fatty acids, starch and PBAT. The incorporation of saturated fatty acids with different molecular mass (caproic, lauric and stearic did not change the nature of the chemical bonds among the components in the blends of starch, PBAT and glycerol, according to the thermal analysis, infrared and Raman spectroscopies.

  3. Fourier–transform infrared spectroscopic characterization of natu ...

    Indian Academy of Sciences (India)

    We present here the characterization of the fulgurites by Fourier transform infrared (FTIR) absorption, X-ray diffraction and X-ray fluorescence methods. The amorphous nature of the substance has been confirmed by Fourier transform infrared spectra of the fulgurites, which exhibit prominent absorption band in the region ...

  4. Infrared spectroscopic ellipsometry of micrometer-sized SiO2 line gratings

    Science.gov (United States)

    Walder, Cordula; Zellmeier, Matthias; Rappich, Jörg; Ketelsen, Helge; Hinrichs, Karsten

    2017-09-01

    For the design and process control of periodic nano-structured surfaces spectroscopic ellipsometry is already established in the UV-VIS spectral regime. The objective of this work is to show the feasibility of spectroscopic ellipsometry in the infrared, exemplarily, on micrometer-sized SiO2 line gratings grown on silicon wafers. The grating period ranges from 10 to about 34 μm. The IR-ellipsometric spectra of the gratings exhibit complex changes with structure variations. Especially in the spectral range of the oxide stretching modes, the presence of a Rayleigh singularity can lead to pronounced changes of the spectrum with the sample geometry. The IR-ellipsometric spectra of the gratings are well reproducible by calculations with the RCWA method (Rigorous Coupled Wave Analysis). Therefore, infrared spectroscopic ellipsometry allows the quantitative characterization and process control of micrometer-sized structures.

  5. Far-infrared Spectroscopic Characterization of Anti-vinyl Alcohol

    Science.gov (United States)

    Bunn, Hayley; Soliday, Rebekah M.; Sumner, Isaiah; Raston, Paul L.

    2017-09-01

    We report a detailed analysis of the high-resolution far-infrared spectrum of anti-vinyl alcohol, which has been previously identified toward Sagittarius B2(N). The ν 15 OH torsional fundamental investigated here is more than 200 cm-1 removed from the next nearest vibration, making it practically unperturbed and ideal to help refine the ground state rotational constants that were previously determined from 25 microwave lines. We assigned 1335 lines within the ν 15 fundamental centered at 261.5512 cm-1, with J and K a ranges of 1-59 and 0-16, respectively. The microwave and far-infrared line positions were fit with Watson-type A- and S-reduced Hamiltonians, with the inclusion of quartic and select sextic distortion terms. This resulted in a significant refinement of the ground state constants, in addition to the determination of the {ν }15=1 state constants for the first time. The spectroscopic parameters are in good agreement with the results from anharmonic coupled-cluster calculations, and should be useful in searches for rotationally and/or vibrationally warm anti-vinyl alcohol in interstellar molecular clouds.

  6. Infrared spectroscopic characterization of monocytic microvesicles (microparticles) released upon lipopolysaccharide stimulation.

    Science.gov (United States)

    Lee, Joonsup; Wen, Beryl; Carter, Elizabeth A; Combes, Valery; Grau, Georges E R; Lay, Peter A

    2017-07-01

    Microvesicles (MVs) are involved in cell-cell interactions, including disease pathogenesis. Nondestructive Fourier-transform infrared (FTIR) spectra from MVs were assessed as a technique to provide new biochemical insights into a LPS-induced monocyte model of septic shock. FTIR spectroscopy provided a quick method to investigate relative differences in biomolecular content of different MV populations that was complementary to traditional semiquantitative omics approaches, with which it is difficult to provide information on relative changes between classes (proteins, lipids, nucleic acids, carbohydrates) or protein conformations. Time-dependent changes were detected in biomolecular contents of MVs and in the monocytes from which they were released. Differences in phosphatidylcholine and phosphatidylserine contents were observed in MVs released under stimulation, and higher relative concentrations of RNA and α-helical structured proteins were present in stimulated MVs compared with MVs from resting cells. FTIR spectra of stimulated monocytes displayed changes that were consistent with those observed in the corresponding MVs they released. LPS-stimulated monocytes had reduced concentrations of nucleic acids, α-helical structured proteins, and phosphatidylcholine compared with resting monocytes but had an increase in total lipids. FTIR spectra of MV biomolecular content will be important in shedding new light on the mechanisms of MVs and the different roles they play in physiology and disease pathogenesis.-Lee, J., Wen, B., Carter, E. A., Combes, V., Grau, G. E. R., Lay, P. A. Infrared spectroscopic characterization of monocytic microvesicles (microparticles) released upon lipopolysaccharide stimulation. © FASEB.

  7. AKARI INFRARED CAMERA SURVEY OF THE LARGE MAGELLANIC CLOUD. II. THE NEAR-INFRARED SPECTROSCOPIC CATALOG

    International Nuclear Information System (INIS)

    Shimonishi, Takashi; Onaka, Takashi; Kato, Daisuke; Sakon, Itsuki; Ita, Yoshifusa; Kawamura, Akiko; Kaneda, Hidehiro

    2013-01-01

    We performed a near-infrared spectroscopic survey toward an area of ∼10 deg 2 of the Large Magellanic Cloud (LMC) with the infrared satellite AKARI. Observations were carried out as part of the AKARI Large-area Survey of the Large Magellanic Cloud (LSLMC). The slitless multi-object spectroscopic capability of the AKARI/IRC enabled us to obtain low-resolution (R ∼ 20) spectra in 2-5 μm for a large number of point sources in the LMC. As a result of the survey, we extracted about 2000 infrared spectra of point sources. The data are organized as a near-infrared spectroscopic catalog. The catalog includes various infrared objects such as young stellar objects (YSOs), asymptotic giant branch (AGB) stars, supergiants, and so on. It is shown that 97% of the catalog sources have corresponding photometric data in the wavelength range from 1.2 to 11 μm, and 67% of the sources also have photometric data up to 24 μm. The catalog allows us to investigate near-infrared spectral features of sources by comparison with their infrared spectral energy distributions. In addition, it is estimated that about 10% of the catalog sources are observed at more than two different epochs. This enables us to study a spectroscopic variability of sources by using the present catalog. Initial results of source classifications for the LSLMC samples are presented. We classified 659 LSLMC spectra based on their near-infrared spectral features by visual inspection. As a result, it is shown that the present catalog includes 7 YSOs, 160 C-rich AGBs, 8 C-rich AGB candidates, 85 O-rich AGBs, 122 blue and yellow supergiants, 150 red super giants, and 128 unclassified sources. Distributions of the classified sources on the color-color and color-magnitude diagrams are discussed in the text. Continuous wavelength coverage and high spectroscopic sensitivity in 2-5 μm can only be achieved by space observations. This is an unprecedented large-scale spectroscopic survey toward the LMC in the near-infrared

  8. High throughput assessment of cells and tissues: Bayesian classification of spectral metrics from infrared vibrational spectroscopic imaging data.

    Science.gov (United States)

    Bhargava, Rohit; Fernandez, Daniel C; Hewitt, Stephen M; Levin, Ira W

    2006-07-01

    Vibrational spectroscopy allows a visualization of tissue constituents based on intrinsic chemical composition and provides a potential route to obtaining diagnostic markers of diseases. Characterizations utilizing infrared vibrational spectroscopy, in particular, are conventionally low throughput in data acquisition, generally lacking in spatial resolution with the resulting data requiring intensive numerical computations to extract information. These factors impair the ability of infrared spectroscopic measurements to represent accurately the spatial heterogeneity in tissue, to incorporate robustly the diversity introduced by patient cohorts or preparative artifacts and to validate developed protocols in large population studies. In this manuscript, we demonstrate a combination of Fourier transform infrared (FTIR) spectroscopic imaging, tissue microarrays (TMAs) and fast numerical analysis as a paradigm for the rapid analysis, development and validation of high throughput spectroscopic characterization protocols. We provide an extended description of the data treatment algorithm and a discussion of various factors that may influence decision-making using this approach. Finally, a number of prostate tissue biopsies, arranged in an array modality, are employed to examine the efficacy of this approach in histologic recognition of epithelial cell polarization in patients displaying a variety of normal, malignant and hyperplastic conditions. An index of epithelial cell polarization, derived from a combined spectral and morphological analysis, is determined to be a potentially useful diagnostic marker.

  9. Accurate spectroscopic characterization of oxirane: A valuable route to its identification in Titan's atmosphere and the assignment of unidentified infrared bands

    Energy Technology Data Exchange (ETDEWEB)

    Puzzarini, Cristina [Dipartimento di Chimica " Giacomo Ciamician," Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy); Biczysko, Malgorzata; Bloino, Julien; Barone, Vincenzo, E-mail: cristina.puzzarini@unibo.it [Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa (Italy)

    2014-04-20

    In an effort to provide an accurate spectroscopic characterization of oxirane, state-of-the-art computational methods and approaches have been employed to determine highly accurate fundamental vibrational frequencies and rotational parameters. Available experimental data were used to assess the reliability of our computations, and an accuracy on average of 10 cm{sup –1} for fundamental transitions as well as overtones and combination bands has been pointed out. Moving to rotational spectroscopy, relative discrepancies of 0.1%, 2%-3%, and 3%-4% were observed for rotational, quartic, and sextic centrifugal-distortion constants, respectively. We are therefore confident that the highly accurate spectroscopic data provided herein can be useful for identification of oxirane in Titan's atmosphere and the assignment of unidentified infrared bands. Since oxirane was already observed in the interstellar medium and some astronomical objects are characterized by very high D/H ratios, we also considered the accurate determination of the spectroscopic parameters for the mono-deuterated species, oxirane-d1. For the latter, an empirical scaling procedure allowed us to improve our computed data and to provide predictions for rotational transitions with a relative accuracy of about 0.02% (i.e., an uncertainty of about 40 MHz for a transition lying at 200 GHz).

  10. Generation of Mid-Infrared Frequency Combs for Spectroscopic Applications

    Science.gov (United States)

    Maser, Daniel L.

    Mid-infrared laser sources prove to be a valuable tool in exploring a vast array of phenomena, finding their way into applications ranging from trace gas detection to X-ray generation and carbon dating. Mid-infrared frequency combs, in particular, are well-suited for many of these applications, owing to their inherent low-noise and broadband nature. Frequency comb technology is well-developed in the near-infrared as a result of immense technological development by the telecommunication industry in silica fiber and the existence of readily-available glass dopants such as ytterbium and erbium that enable oscillators at 1 and 1.5 ?m. However, options become substantially more limited at longer wavelengths, as silica is no longer transparent and the components required in a mid-infrared frequency comb system (oscillators, fibers, and both fiber and free-space components) are far less technologically mature. This thesis explores several different approaches to generating frequency comb sources in the mid-infrared region, and the development of sources used in the nonlinear processes implemented to reach these wavelengths. An optical parametric oscillator, two approaches to difference frequency generation, and nonlinear spectral broadening in chip-scale waveguides are developed, characterized, and spectroscopic potential for these techniques is demonstrated. The source used for these nonlinear processes, the erbium-doped fiber amplifier, is also studied and discussed throughout the design and optimization process. The nonlinear optical processes critical to this work are numerically modeled and used to confirm and predict experimental behavior.

  11. Infrared spectroscopic measurement of skin hydration and sebum levels and comparison to corneometer and sebumeter

    OpenAIRE

    Ezerskaia, A.; Pereira, S.F.; Urbach, Paul; Varghese, Babu; Popp, Jürgen; Tuchin, Valery V.; Matthews, Dennis L.; Pavone, Francesco S.

    2016-01-01

    Skin health characterized by a system of water and lipids in Stratum Corneum provide protection from harmful external elements and prevent trans-epidermal water loss. Skin hydration (moisture) and sebum (skin surface lipids) are considered to be important factors in skin health; a right balance between these components is an indication of skin health and plays a central role in protecting and preserving skin integrity. In this manuscript we present an infrared spectroscopic method for simulta...

  12. Noninvasive, near infrared spectroscopic-measured muscle pH and PO2 indicate tissue perfusion for cardiac surgical patients undergoing cardiopulmonary bypass

    Science.gov (United States)

    Soller, Babs R.; Idwasi, Patrick O.; Balaguer, Jorge; Levin, Steven; Simsir, Sinan A.; Vander Salm, Thomas J.; Collette, Helen; Heard, Stephen O.

    2003-01-01

    OBJECTIVE: To determine whether near infrared spectroscopic measurement of tissue pH and Po2 has sufficient accuracy to assess variation in tissue perfusion resulting from changes in blood pressure and metabolic demand during cardiopulmonary bypass. DESIGN: Prospective clinical study. SETTING: Academic medical center. SUBJECTS: Eighteen elective cardiac surgical patients. INTERVENTION: Cardiac surgery under cardiopulmonary bypass. MEASUREMENTS AND MAIN RESULTS: A near infrared spectroscopic fiber optic probe was placed over the hypothenar eminence. Reference Po2 and pH sensors were inserted in the abductor digiti minimi (V). Data were collected every 30 secs during surgery and for 6 hrs following cardiopulmonary bypass. Calibration equations developed from one third of the data were used with the remaining data to investigate sensitivity of the near infrared spectroscopic measurement to physiologic changes resulting from cardiopulmonary bypass. Near infrared spectroscopic and reference pH and Po2 measurements were compared for each subject using standard error of prediction. Near infrared spectroscopic pH and Po2 at baseline were compared with values during cardiopulmonary bypass just before rewarming commenced (hypotensive, hypothermic), after rewarming (hypotensive, normothermic) just before discontinuation of cardiopulmonary bypass, and at 6 hrs following cardiopulmonary bypass (normotensive, normothermic) using mixed-model analysis of variance. Near infrared spectroscopic pH and Po2 were well correlated with the invasive measurement of pH (R2 =.84) and Po2 (R 2 =.66) with an average standard error of prediction of 0.022 +/- 0.008 pH units and 6 +/- 3 mm Hg, respectively. The average difference between the invasive and near infrared spectroscopic measurement was near zero for both the pH and Po2 measurements. Near infrared spectroscopic Po2 significantly decreased 50% on initiation of cardiopulmonary bypass and remained depressed throughout the bypass and

  13. Infrared Spectroscopic Imaging: The Next Generation

    Science.gov (United States)

    Bhargava, Rohit

    2013-01-01

    Infrared (IR) spectroscopic imaging seemingly matured as a technology in the mid-2000s, with commercially successful instrumentation and reports in numerous applications. Recent developments, however, have transformed our understanding of the recorded data, provided capability for new instrumentation, and greatly enhanced the ability to extract more useful information in less time. These developments are summarized here in three broad areas— data recording, interpretation of recorded data, and information extraction—and their critical review is employed to project emerging trends. Overall, the convergence of selected components from hardware, theory, algorithms, and applications is one trend. Instead of similar, general-purpose instrumentation, another trend is likely to be diverse and application-targeted designs of instrumentation driven by emerging component technologies. The recent renaissance in both fundamental science and instrumentation will likely spur investigations at the confluence of conventional spectroscopic analyses and optical physics for improved data interpretation. While chemometrics has dominated data processing, a trend will likely lie in the development of signal processing algorithms to optimally extract spectral and spatial information prior to conventional chemometric analyses. Finally, the sum of these recent advances is likely to provide unprecedented capability in measurement and scientific insight, which will present new opportunities for the applied spectroscopist. PMID:23031693

  14. A NEAR-INFRARED SPECTROSCOPIC SURVEY OF COOL WHITE DWARFS IN THE SLOAN DIGITAL SKY SURVEY

    International Nuclear Information System (INIS)

    Kilic, Mukremin; Kowalski, Piotr M.; Von Hippel, Ted

    2009-01-01

    We present near-infrared photometric observations of 15 and spectroscopic observations of 38 cool white dwarfs (WDs). This is the largest near-infrared spectroscopic survey of cool WDs to date. Combining the Sloan Digital Sky Survey photometry and our near-infrared data, we perform a detailed model atmosphere analysis. The spectral energy distributions of our objects are explained fairly well by model atmospheres with temperatures ranging from 6300 K down to 4200 K. Two WDs show significant absorption in the infrared, and are best explained with mixed H/He atmosphere models. Based on the up-to-date model atmosphere calculations by Kowalski and Saumon, we find that the majority of the stars in our sample have hydrogen-rich atmospheres. We do not find any pure helium atmosphere WDs below 5000 K, and we find a trend of increasing hydrogen to helium ratio with decreasing temperature. These findings present an important challenge to understanding the spectral evolution of WDs.

  15. Heterogeneously integrated silicon photonics for the mid-infrared and spectroscopic sensing.

    Science.gov (United States)

    Chen, Yu; Lin, Hongtao; Hu, Juejun; Li, Mo

    2014-07-22

    Besides being the foundational material for microelectronics, crystalline silicon has long been used for the production of infrared lenses and mirrors. More recently, silicon has become the key material to achieve large-scale integration of photonic devices for on-chip optical interconnect and signal processing. For optics, silicon has significant advantages: it offers a very high refractive index and is highly transparent in the spectral range from 1.2 to 8 μm. To fully exploit silicon’s superior performance in a remarkably broad range and to enable new optoelectronic functionalities, here we describe a general method to integrate silicon photonic devices on arbitrary foreign substrates. In particular, we apply the technique to integrate silicon microring resonators on mid-infrared compatible substrates for operation in the mid-infrared. These high-performance mid-infrared optical resonators are utilized to demonstrate, for the first time, on-chip cavity-enhanced mid-infrared spectroscopic analysis of organic chemicals with a limit of detection of less than 0.1 ng.

  16. Spectroscopic and thermal characterization of carbon nanotubes functionalized through diazonium salt reduction

    International Nuclear Information System (INIS)

    Pandurangappa, Malingappa; Ramakrishnappa, Thippeswamy

    2010-01-01

    Chemical reduction of anthraquinone diazonium chloride (Fast Red AL salt) in presence of hypophosphorous acid and carbon nanotubes results in anthraquinonyl functionalized carbon nanotubes. The surface functionalized moieties have been examined electrochemically by immobilizing them onto the surface of basal plane pyrolytic graphite electrode and studying its voltammetric behaviour. The effect of pH, and scan rate has revealed that the modified species are confined on the electrode surface. The spectroscopic characterization of the modified single walled carbon nanotubes using Fourier transform infrared spectroscopy, X-ray photoemission spectroscopy, thermogravimetric analysis and transmission electron microscopy have revealed that the modifier molecules are covalently bonded on the surface of carbon nanotubes.

  17. Spectroscopic and thermal characterization of carbon nanotubes functionalized through diazonium salt reduction

    Energy Technology Data Exchange (ETDEWEB)

    Pandurangappa, Malingappa, E-mail: mprangachem@gmail.com [Department of Chemistry, Bangalore University, Central College Campus, Dr Ambedkar Veedhi, Bangalore 560 001 (India); Ramakrishnappa, Thippeswamy [Department of Chemistry, Bangalore University, Central College Campus, Dr Ambedkar Veedhi, Bangalore 560 001 (India)

    2010-08-01

    Chemical reduction of anthraquinone diazonium chloride (Fast Red AL salt) in presence of hypophosphorous acid and carbon nanotubes results in anthraquinonyl functionalized carbon nanotubes. The surface functionalized moieties have been examined electrochemically by immobilizing them onto the surface of basal plane pyrolytic graphite electrode and studying its voltammetric behaviour. The effect of pH, and scan rate has revealed that the modified species are confined on the electrode surface. The spectroscopic characterization of the modified single walled carbon nanotubes using Fourier transform infrared spectroscopy, X-ray photoemission spectroscopy, thermogravimetric analysis and transmission electron microscopy have revealed that the modifier molecules are covalently bonded on the surface of carbon nanotubes.

  18. Near-Infrared Spectroscopic Study of Chlorite Minerals

    Directory of Open Access Journals (Sweden)

    Min Yang

    2018-01-01

    Full Text Available The mineral chemistry of twenty chlorite samples from the United States Geological Survey (USGS spectral library and two other regions, having a wide range of Fe and Mg contents and relatively constant Al and Si contents, was studied via infrared (IR spectroscopy, near-infrared (NIR spectroscopy, and X-ray fluorescence (XRF analysis. Five absorption features of the twenty samples near 4525, 4440, 4361, 4270, and 4182 cm−1 were observed, and two diagnostic features at 4440 and 4280 cm−1 were recognized. Assignments of the two diagnostic features were made for two combination bands (ν+δAlAlO−OH and ν+δSiAlO−OH by regression with IR fundamental absorptions. Furthermore, the determinant factors of the NIR band position were found by comparing the band positions with relative components. The results showed that Fe/(Fe + Mg values are negatively correlated with the two NIR combination bands. The findings provide an interpretation of the NIR band formation and demonstrate a simple way to use NIR spectroscopy to discriminate between chlorites with different components. More importantly, spectroscopic detection of mineral chemical variations in chlorites provides geologists with a tool with which to collect information on hydrothermal alteration zones from hyperspectral-resolution remote sensing data.

  19. Infrared absorption spectroscopic study of Nd substituted Zn–Mg ...

    Indian Academy of Sciences (India)

    Unknown

    20, 0⋅40, 0⋅60, 0⋅80 and 1⋅00; y = 0⋅00, 0⋅05 and 0⋅10) ferrites were prepared by standard ceramic method and characterized by X-ray diffraction, scanning electron microscopy and infrared absorption spectroscopy. Far infrared absorption.

  20. Spectroscopic Characterization of Omeprazole and Its Salts

    Directory of Open Access Journals (Sweden)

    Tomislav Vrbanec

    2017-01-01

    Full Text Available During drug development, it is important to have a suitable crystalline form of the active pharmaceutical ingredient (API. Mostly, the basic options originate in the form of free base, acid, or salt. Substances that are stable only within a certain pH range are a challenge for the formulation. For the prazoles, which are known to be sensitive to degradation in an acid environment, the formulation is stabilized with alkaline additives or with the application of API formulated as basic salts. Therefore, preparation and characterization of basic salts are needed to monitor any possible salinization of free molecules. We synthesized salts of omeprazole from the group of alkali metals (Li, Na, and K and alkaline earth metals (Mg, Ca. The purpose of the presented work is to demonstrate the applicability of vibrational spectroscopy to discriminate between the OMP and OMP-salt molecules. For this reason, the physicochemical properties of 5 salts were probed using infrared and Raman spectroscopy, NMR, TG, DSC, and theoretical calculation of vibrational frequencies. We found out that vibrational spectroscopy serves as an applicable spectroscopic tool which enables an accurate, quick, and nondestructive way to determine the characteristic of OMP and its salts.

  1. Spectroscopic detection, characterization and dynamics of free radicals relevant to combustion processes

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Terry [The Ohio State Univ., Columbus, OH (United States)

    2015-06-04

    Combustion chemistry is enormously complex. The chemical mechanisms involve a multitude of elementary reaction steps and a comparable number of reactive intermediates, many of which are free radicals. Computer simulations based upon these mechanisms are limited by the validity of the mechanisms and the parameters characterizing the properties of the intermediates and their reactivity. Spectroscopy can provide data for sensitive and selective diagnostics to follow their reactions. Spectroscopic analysis also provides detailed parameters characterizing the properties of these intermediates. These parameters serve as experimental gold standards to benchmark predictions of these properties from large-scale, electronic structure calculations. This work has demonstrated the unique capabilities of near-infrared cavity ringdown spectroscopy (NIR CRDS) to identify, characterize and monitor intermediates of key importance in complex chemical reactions. Our studies have focussed on the large family of organic peroxy radicals which are arguably themost important intermediates in combustion chemistry and many other reactions involving the oxidation of organic compounds. Our spectroscopic studies have shown that the NIR Ã - ˜X electronic spectra of the peroxy radicals allows one to differentiate among chemical species in the organic peroxy family and also determine their isomeric and conformic structure in many cases. We have clearly demonstrated this capability on saturated and unsaturated peroxy radicals and β-hydroxy peroxy radicals. In addition we have developed a unique dual wavelength CRDS apparatus specifically for the purpose of measuring absolute absorption cross section and following the reaction of chemical intermediates. The utility of the apparatus has been demonstrated by measuring the cross-section and self-reaction rate constant for ethyl peroxy.

  2. Characterizing Nanophase Materials on Mars: Spectroscopic Studies of Allophane and Imogolite

    Science.gov (United States)

    Jeute, Thomas; Baker, Leslie; Bishop, Janice; Rampe, Elizabeth; Abidin, Zaenal

    2017-01-01

    Allophane is an amorphous or poorly crystalline hydrous aluminosilicate material. Allophane's chemical structure represents a hollow nanosphere, 5-6 nm in diameter with 4-7 large pores in the structure. Identification of allophane and other amorphous and nanophase minerals on Mars has provided clues about the aqueous geochemical environment there. These materials likely represent partially altered or leached basaltic ash and therefore, could represent a geologic marker for where water was present on the Martian surface; as well as indicate regions of climate change, where surface water was not present long enough or sufficiently warm to form clays. Characterization of these materials is important for increasing spectral recognition capabilities using visible/near-infrared (VNIR) and thermal infrared (TIR) spectra of Mars. A suite of synthetic allophane samples was created using a method that has been modified to produce allophane with Fe isomorphically substituted for Al in octahedral coordination. Compositions of the materials range from high-Si allophane (molar Al:Si = 1:2) to protoimogolite (Al:Si = 2:1), with Fe(3+) and Fe(2+) isomorphically substituted for Al from 0-10 mol% of total Al. These compositions span the range observed in natural terrestrial allophanes. Fe K-edge X-ray absorption spectroscopy provided information on the speciation and electrochemical and structural position of Fe in the framework. Fourier transform infrared spectroscopy confirmed syntheses and demonstrated changes in infrared spectroscopic signature with Fe substitution. VNIR reflectance spectra and TIR Thermal infrared emissivity spectra were also collected for direct comparison to Martian data. By increasing spectral recognition capacities of nanophase materials, more accurate estimates can be made on the aqueous geochemical environment of Mars.

  3. Infrared laser spectroscopic trace gas sensing

    Science.gov (United States)

    Sigrist, Markus

    2016-04-01

    Chemical sensing and analyses of gas samples by laser spectroscopic methods are attractive owing to several advantages such as high sensitivity and specificity, large dynamic range, multi-component capability, and lack of pretreatment or preconcentration procedures. The preferred wavelength range comprises the fundamental molecular absorption range in the mid-infared between 3 and 15 μm, whereas the near-infrared range covers the (10-100 times weaker) higher harmonics and combination bands. The availability of near-infrared and, particularly, of broadly tunable mid-infrared sources like external cavity quantum cascade lasers (EC-QCLs), interband cascade lasers (ICLs), difference frequency generation (DFG), optical parametric oscillators (OPOs), recent developments of diode-pumped lead salt semiconductor lasers, of supercontinuum sources or of frequency combs have eased the implementation of laser-based sensing devices. Sensitive techniques for molecular absorption measurements include multipass absorption, various configurations of cavity-enhanced techniques such as cavity ringdown (CRD), or of photoacoustic spectroscopy (PAS) including quartz-enhanced (QEPAS) or cantilever-enhanced (CEPAS) techniques. The application requirements finally determine the optimum selection of laser source and detection scheme. In this tutorial talk I shall discuss the basic principles, present various experimental setups and illustrate the performance of selected systems for chemical sensing of selected key atmospheric species. Applications include an early example of continuous vehicle emission measurements with a mobile CO2-laser PAS system [1]. The fast analysis of C1-C4 alkanes at sub-ppm concentrations in gas mixtures is of great interest for the petrochemical industry and was recently achieved with a new type of mid-infrared diode-pumped piezoelectrically tuned lead salt vertical external cavity surface emitting laser (VECSEL) [2]. Another example concerns measurements on short

  4. Amino Acid and Peptide Immobilization on Oxidized Nanocellulose: Spectroscopic Characterization

    Science.gov (United States)

    Barazzouk, Saïd; Daneault, Claude

    2012-01-01

    In this work, oxidized nanocellulose (ONC) was synthesized and chemically coupled with amino acids and peptides using a two step coupling method at room temperature. First, ONC was activated by N-ethyl-N’-(3-dimethylaminopropyl) carbodiimide hydrochloride, forming a stable active ester in the presence of N-hydroxysuccinimide. Second, the active ester was reacted with the amino group of the amino acid or peptide, forming an amide bond between ONC and the grafted molecule. Using this method, the intermolecular interaction of amino acids and peptides was avoided and uniform coupling of these molecules on ONC was achieved. The coupling reaction was very fast in mild conditions and without alteration of the polysaccharide. The coupling products (ONC-amino acids and ONC-peptides) were characterized by transmission electron microscopy and by the absorption, emission, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) spectroscopic techniques. PMID:28348303

  5. Amino Acid and Peptide Immobilization on Oxidized Nanocellulose: Spectroscopic Characterization

    Directory of Open Access Journals (Sweden)

    Claude Daneault

    2012-06-01

    Full Text Available In this work, oxidized nanocellulose (ONC was synthesized and chemically coupled with amino acids and peptides using a two step coupling method at room temperature. First, ONC was activated by N-ethyl-N’-(3-dimethylaminopropyl carbodiimide hydrochloride, forming a stable active ester in the presence of N-hydroxysuccinimide. Second, the active ester was reacted with the amino group of the amino acid or peptide, forming an amide bond between ONC and the grafted molecule. Using this method, the intermolecular interaction of amino acids and peptides was avoided and uniform coupling of these molecules on ONC was achieved. The coupling reaction was very fast in mild conditions and without alteration of the polysaccharide. The coupling products (ONC-amino acids and ONC-peptides were characterized by transmission electron microscopy and by the absorption, emission, Fourier transform infrared spectroscopy (FTIR and X-ray photoelectron spectroscopy (XPS spectroscopic techniques.

  6. Spectroscopic characterization of extrasolar planets from ground-, space- and airborne-based observatories

    Science.gov (United States)

    Angerhausen, Daniel

    2010-11-01

    This thesis deals with techniques and results of observations of exoplanets from several platforms. In this work I present and then attempt solutions to particular issues and problems connected to ground- and space-based approaches to spectroscopic characterization of extrasolar planets. Furthermore, I present the future prospects of the airborne observatory, SOFIA, in this field of astronomy. The first part of this thesis covers results of an exploratory study to use near-infrared integral-field-spectroscopy to observe transiting extrasolar planets. I demonstrate how adaptive-optics assisted integral field spectroscopy compares with other spectroscopic techniques currently applied, foremost being slit spectroscopy. An advanced reduction method using elements of a spectral-differential decorrelation and optimized observation strategies is discussed. This concept was tested with K-Band time series observations of secondary eclipses of HD 209458b and HD 189733b obtained with the SINFONI at the Very Large Telescope (VLT), at spectral resolution of R~3000. In ground-based near infrared (NIR) observations, there is considerable likelihood of confusion between telluric absorption features and spectral features in the targeted object. I describe a detailed method that can cope with such confusion by a forward modelling approach employing Earth transmission models. In space-based transit spectroscopy with Hubble's NICMOS instrument, the main source of systematic noise is the perturbation in the instrument's configuration due to the near Earth orbital motion of the spacecraft. I present an extension to a pre-existing data analysis sequence that has allowed me to extract a NIR transmission spectrum of the hot-Neptune class planet GJ 436b from a data set that was highly corrupted by the above mentioned effects. Satisfyingly, I was able to obtain statistical consistency in spectra (acquired over a broad wavelength grid) over two distinct observing visits by HST. Earlier

  7. Near-Infrared Spectroscopic Method for Monitoring Water Content in Epoxy Resins and Fiber-Reinforced Composites

    Directory of Open Access Journals (Sweden)

    Andrey E. Krauklis

    2018-04-01

    Full Text Available Monitoring water content and predicting the water-induced drop in strength of fiber-reinforced composites are of great importance for the oil and gas and marine industries. Fourier transform infrared (FTIR spectroscopic methods are broadly available and often used for process and quality control in industrial applications. A benefit of using such spectroscopic methods over the conventional gravimetric analysis is the possibility to deduce the mass of an absolutely dry material and subsequently the true water content, which is an important indicator of water content-dependent properties. The objective of this study is to develop an efficient and detailed method for estimating the water content in epoxy resins and fiber-reinforced composites. In this study, Fourier transform near-infrared (FT-NIR spectroscopy was applied to measure the water content of amine-epoxy neat resin. The method was developed and successfully extended to glass fiber-reinforced composite materials. Based on extensive measurements of neat resin and composite samples of varying water content and thickness, regression was performed, and the quantitative absorbance dependence on water content in the material was established. The mass of an absolutely dry resin was identified, and the true water content was obtained. The method was related to the Beer–Lambert law and explained in such terms. A detailed spectroscopic method for measuring water content in resins and fiber-reinforced composites was developed and described.

  8. Near-Infrared Spectroscopic Method for Monitoring Water Content in Epoxy Resins and Fiber-Reinforced Composites.

    Science.gov (United States)

    Krauklis, Andrey E; Gagani, Abedin I; Echtermeyer, Andreas T

    2018-04-11

    Monitoring water content and predicting the water-induced drop in strength of fiber-reinforced composites are of great importance for the oil and gas and marine industries. Fourier transform infrared (FTIR) spectroscopic methods are broadly available and often used for process and quality control in industrial applications. A benefit of using such spectroscopic methods over the conventional gravimetric analysis is the possibility to deduce the mass of an absolutely dry material and subsequently the true water content, which is an important indicator of water content-dependent properties. The objective of this study is to develop an efficient and detailed method for estimating the water content in epoxy resins and fiber-reinforced composites. In this study, Fourier transform near-infrared (FT-NIR) spectroscopy was applied to measure the water content of amine-epoxy neat resin. The method was developed and successfully extended to glass fiber-reinforced composite materials. Based on extensive measurements of neat resin and composite samples of varying water content and thickness, regression was performed, and the quantitative absorbance dependence on water content in the material was established. The mass of an absolutely dry resin was identified, and the true water content was obtained. The method was related to the Beer-Lambert law and explained in such terms. A detailed spectroscopic method for measuring water content in resins and fiber-reinforced composites was developed and described.

  9. Spectroscopic characterizations of organic/inorganic nanocomposites

    Science.gov (United States)

    Govani, Jayesh R.

    2009-12-01

    In the present study, pure and 0.3 wt%, 0.4 wt%, as well as 0.5 wt% L-arginine doped potassium dihydrogen phosphate (KDP) crystals were grown using solution growth techniques and further subjected to infrared (IR) absorption and Raman studies for confirmation of chemical group functionalization for investigating the incorporation mechanism of the L-arginine organic material into the KDP crystal structure. Infrared spectroscopic analysis suggests that structural changes are occurring for the L-arginine molecule as a result of its interaction with the KPD crystal. Infrared spectroscopic technique confirms the disturbance of the N-H, C-H and C-N bonds of the amino acid, suggesting successful incorporation of L-arginine into the KDP crystals. Raman analysis also reveals modification of the N-H, C-H and C-N bonds of the amino acid, implying successful inclusion of L-arginine into the KDP crystals. With the help of Gaussian software, a prediction of possible incorporation mechanisms of the organic material was obtained from comparison of the simulated infrared and Raman vibrational spectra with the experimental results. Furthermore, we also studied the effect of L-arginine doping on the thermal stability of the grown KDP crystal by employing Thermo gravimetric analysis (TGA). TGA suggests that increasing the level of L-arginine doping speeds the decomposition process and it weakens the KDP crystal, which indicates successful doping of the KDP crystals with L-arginine amino acid. Urinary stones are one of the oldest and most widely spread diseases in humans, animals and birds. Many remedies have been employed through the ages for the treatment of urinary stones. Recent medicinal measures reflect the modern advances, which are based on surgical removal, percutaneous techniques and extracorporeal shock wave lithotripsy (ESWL). Although these procedures are valuable, they are quite expensive for most people. Furthermore, recurrence of these diseases is awfully frequent with

  10. Infrared absorption spectroscopic study of Nd 3+ substituted Zn–Mg ...

    Indian Academy of Sciences (India)

    Compositions of polycrystalline ZnMg1-Fe2–NdO4 ( = 0.00, 0.20, 0.40, 0.60, 0.80 and 1.00; = 0.00, 0.05 and 0.10) ferrites were prepared by standard ceramic method and characterized by X-ray diffraction, scanning electron microscopy and infrared absorption spectroscopy. Far infrared absorption spectra show ...

  11. SPECTROSCOPIC INFRARED EXTINCTION MAPPING AS A PROBE OF GRAIN GROWTH IN IRDCs

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Wanggi [Department of Astronomy, University of Florida, Gainesville, FL 32611 (United States); Carey, Sean J. [Infrared Processing Analysis Center, California Institute of Technology, Pasadena, CA 91125 (United States); Tan, Jonathan C. [Departments of Astronomy and Physics, University of Florida, Gainesville, FL 32611 (United States)

    2015-11-20

    We present spectroscopic tests of MIR to FIR extinction laws in IRDC G028.36+00.07, a potential site of massive star and star cluster formation. Lim and Tan developed methods of FIR extinction mapping of this source using Spitzer-MIPS 24 μm and Herschel-PACS 70 μm images, and by comparing to MIR Spitzer-IRAC 3–8 μm extinction maps, found tentative evidence for grain growth in the highest mass surface density regions. Here we present results of spectroscopic infrared extinction mapping using Spitzer-IRS (14–38 μm) data of the same Infrared dark cloud (IRDC). These methods allow us to first measure the SED of the diffuse Galactic interstellar medium that is in the foreground of the IRDC. We then carry out our primary investigation of measuring the MIR to FIR opacity law and searching for potential variations as a function of mass surface density within the IRDC. We find relatively flat, featureless MIR–FIR opacity laws that lack the ∼12 and ∼35 μm features associated with the thick water ice mantle models of Ossenkopf and Henning. Their thin ice mantle models and the coagulating aggregate dust models of Ormel et al. are a generally better match to the observed opacity laws. We also find evidence for generally flatter MIR to FIR extinction laws as mass surface density increases, strengthening the evidence for grain and ice mantle growth in higher density regions.

  12. SPECTROSCOPIC INFRARED EXTINCTION MAPPING AS A PROBE OF GRAIN GROWTH IN IRDCs

    International Nuclear Information System (INIS)

    Lim, Wanggi; Carey, Sean J.; Tan, Jonathan C.

    2015-01-01

    We present spectroscopic tests of MIR to FIR extinction laws in IRDC G028.36+00.07, a potential site of massive star and star cluster formation. Lim and Tan developed methods of FIR extinction mapping of this source using Spitzer-MIPS 24 μm and Herschel-PACS 70 μm images, and by comparing to MIR Spitzer-IRAC 3–8 μm extinction maps, found tentative evidence for grain growth in the highest mass surface density regions. Here we present results of spectroscopic infrared extinction mapping using Spitzer-IRS (14–38 μm) data of the same Infrared dark cloud (IRDC). These methods allow us to first measure the SED of the diffuse Galactic interstellar medium that is in the foreground of the IRDC. We then carry out our primary investigation of measuring the MIR to FIR opacity law and searching for potential variations as a function of mass surface density within the IRDC. We find relatively flat, featureless MIR–FIR opacity laws that lack the ∼12 and ∼35 μm features associated with the thick water ice mantle models of Ossenkopf and Henning. Their thin ice mantle models and the coagulating aggregate dust models of Ormel et al. are a generally better match to the observed opacity laws. We also find evidence for generally flatter MIR to FIR extinction laws as mass surface density increases, strengthening the evidence for grain and ice mantle growth in higher density regions

  13. Spectroscopic characterization of low dose rate brachytherapy sources

    Science.gov (United States)

    Beach, Stephen M.

    The low dose rate (LDR) brachytherapy seeds employed in permanent radioactive-source implant treatments usually use one of two radionuclides, 125I or 103Pd. The theoretically expected source spectroscopic output from these sources can be obtained via Monte Carlo calculation based upon seed dimensions and materials as well as the bare-source photon emissions for that specific radionuclide. However the discrepancies resulting from inconsistent manufacturing of sources in comparison to each other within model groups and simplified Monte Carlo calculational geometries ultimately result in undesirably large uncertainties in the Monte Carlo calculated values. This dissertation describes experimentally attained spectroscopic outputs of the clinically used brachytherapy sources in air and in liquid water. Such knowledge can then be applied to characterize these sources by a more fundamental and metro logically-pure classification, that of energy-based dosimetry. The spectroscopic results contained within this dissertation can be utilized in the verification and benchmarking of Monte Carlo calculational models of these brachytherapy sources. This body of work was undertaken to establish a usable spectroscopy system and analysis methods for the meaningful study of LDR brachytherapy seeds. The development of a correction algorithm and the analysis of the resultant spectroscopic measurements are presented. The characterization of the spectrometer and the subsequent deconvolution of the measured spectrum to obtain the true spectrum free of any perturbations caused by the spectrometer itself is an important contribution of this work. The approach of spectroscopic deconvolution that was applied in this work is derived in detail and it is applied to the physical measurements. In addition, the spectroscopically based analogs to the LDR dosimetry parameters that are currently employed are detailed, as well as the development of the theory and measurement methods to arrive at these

  14. Combining sequence-based prediction methods and circular dichroism and infrared spectroscopic data to improve protein secondary structure determinations

    Directory of Open Access Journals (Sweden)

    Lees Jonathan G

    2008-01-01

    Full Text Available Abstract Background A number of sequence-based methods exist for protein secondary structure prediction. Protein secondary structures can also be determined experimentally from circular dichroism, and infrared spectroscopic data using empirical analysis methods. It has been proposed that comparable accuracy can be obtained from sequence-based predictions as from these biophysical measurements. Here we have examined the secondary structure determination accuracies of sequence prediction methods with the empirically determined values from the spectroscopic data on datasets of proteins for which both crystal structures and spectroscopic data are available. Results In this study we show that the sequence prediction methods have accuracies nearly comparable to those of spectroscopic methods. However, we also demonstrate that combining the spectroscopic and sequences techniques produces significant overall improvements in secondary structure determinations. In addition, combining the extra information content available from synchrotron radiation circular dichroism data with sequence methods also shows improvements. Conclusion Combining sequence prediction with experimentally determined spectroscopic methods for protein secondary structure content significantly enhances the accuracy of the overall results obtained.

  15. Infrared spectroscopic measurement of skin hydration and sebum levels and comparison to corneometer and sebumeter

    Science.gov (United States)

    Ezerskaia, Anna; Pereira, S. F.; Urbach, H. P.; Varghese, Babu

    2016-05-01

    Skin health characterized by a system of water and lipids in Stratum Corneum provide protection from harmful external elements and prevent trans-epidermal water loss. Skin hydration (moisture) and sebum (skin surface lipids) are considered to be important factors in skin health; a right balance between these components is an indication of skin health and plays a central role in protecting and preserving skin integrity. In this manuscript we present an infrared spectroscopic method for simultaneous and quantitative measurement of skin hydration and sebum levels utilizing differential detection with three wavelengths 1720, 1750, and 1770 nm, corresponding to the lipid vibrational bands that lie "in between" the prominent water absorption bands. The skin sebum and hydration values on the forehead under natural conditions and its variations to external stimuli were measured using our experimental set-up. The experimental results obtained with the optical set-up show good correlation with the results obtained with the commercially available instruments Corneometer and Sebumeter.

  16. Opto-nanomechanical spectroscopic material characterization

    Science.gov (United States)

    Tetard, L.; Passian, A.; Farahi, R. H.; Thundat, T.; Davison, B. H.

    2015-10-01

    The non-destructive, simultaneous chemical and physical characterization of materials at the nanoscale is an essential and highly sought-after capability. However, a combination of limitations imposed by Abbe diffraction, diffuse scattering, unknown subsurface, electromagnetic fluctuations and Brownian noise, for example, have made achieving this goal challenging. Here, we report a hybrid approach for nanoscale material characterization based on generalized nanomechanical force microscopy in conjunction with infrared photoacoustic spectroscopy. As an application, we tackle the outstanding problem of spatially and spectrally resolving plant cell walls. Nanoscale characterization of plant cell walls and the effect of complex phenotype treatments on biomass are challenging but necessary in the search for sustainable and renewable bioenergy. We present results that reveal both the morphological and compositional substructures of the cell walls. The measured biomolecular traits are in agreement with the lower-resolution chemical maps obtained with infrared and confocal Raman micro-spectroscopies of the same samples. These results should prove relevant in other fields such as cancer research, nanotoxicity, and energy storage and production, where morphological, chemical and subsurface studies of nanocomposites, nanoparticle uptake by cells and nanoscale quality control are in demand.

  17. Identification and Spectroscopic Characterization of Nonheme Iron(III) Hypochlorite Intermediates**

    Science.gov (United States)

    Draksharapu, Apparao; Angelone, Davide; Quesne, Matthew G; Padamati, Sandeep K; Gómez, Laura; Hage, Ronald; Costas, Miquel; Browne, Wesley R; de Visser, Sam P

    2015-01-01

    FeIII–hypohalite complexes have been implicated in a wide range of important enzyme-catalyzed halogenation reactions including the biosynthesis of natural products and antibiotics and post-translational modification of proteins. The absence of spectroscopic data on such species precludes their identification. Herein, we report the generation and spectroscopic characterization of nonheme FeIII–hypohalite intermediates of possible relevance to iron halogenases. We show that FeIII-OCl polypyridylamine complexes can be sufficiently stable at room temperature to be characterized by UV/Vis absorption, resonance Raman and EPR spectroscopies, and cryo-ESIMS. DFT methods rationalize the pathways to the formation of the FeIII-OCl, and ultimately FeIV=O, species and provide indirect evidence for a short-lived FeII-OCl intermediate. The species observed and the pathways involved offer insight into and, importantly, a spectroscopic database for the investigation of iron halogenases. PMID:25663379

  18. A spectroscopic comparison of selected Chinese kaolinite, coal bearing kaolinite and halloysite - A mid-infrared and near-infrared study

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, H.F.; Yang, J.; Liu, Q.F.; Zhang, J.S.; Frost, R.L. [Queensland University of Technology, Brisbane, Qld. (Australia). Faculty of Science & Technology

    2010-11-15

    Mid-infrared (MIR) and near-infrared (NIR) spectroscopy have been compared and evaluated for differentiating kaolinite, coal bearing kaolinite and halloysite. Kaolinite, coal bearing kaolinite and halloysite are the three relative abundant minerals of the kaolin group, especially in China. In the MIR spectra, the differences are shown in the 3000-3600 cm{sup -1} between kaolinite and halloysite. It cannot obviously differentiate the kaolinite and halloysite, leaving alone kaolinite and coal bearing kaolinite. However, NIR, together with MIR, gives us the sufficient evidence to differentiate the kaolinite and halloysite, especially kaolinite and coal bearing kaolinite. There are obvious differences between kaolinite and halloysite in all range of their spectra, and they also show some difference between kaolinite and coal bearing kaolinite. Therefore, the reproducibility of measurement, signal to noise ratio and richness of qualitative information should be simultaneously considered for proper selection of a spectroscopic method for mineral analysis.

  19. Synthesis, spectroscopic characterization and catalytic oxidation ...

    Indian Academy of Sciences (India)

    were characterized by infrared, electronic, electron paramagnetic resonance ... The catalytic oxidation property of ruthenium(III) complexes were also ... cies at room temperature. ..... aldehyde part of Schiff base ligands, catalytic activ- ity of new ...

  20. Synthesis, characterization and biological activity studies of mixed ...

    African Journals Online (AJOL)

    The complexes were characterized using some physical techniques such as melting point, solubility, conductivity measurement and spectroscopic analyses such as UV-Visible spectroscopy, Atomic absorption spectroscopy, and Infrared spectroscopy. Based on the physical and spectroscopic results, the coordination of the ...

  1. Electrochemical synthesis and spectroscopic characterization of ...

    African Journals Online (AJOL)

    phenylpyrrole) coatings in an organic medium on iron and platinum electrodes. ... XPS measurements, infrared (FT-IR) and electronic absorption (UV-vis) spectroscopies were used to characterize the iron and platinum-coated electrodes. Finally the ...

  2. Comparison between infrared and Raman spectroscopic analysis of maturing rabbit cortical bone.

    Science.gov (United States)

    Turunen, Mikael J; Saarakkala, Simo; Rieppo, Lassi; Helminen, Heikki J; Jurvelin, Jukka S; Isaksson, Hanna

    2011-06-01

    The molecular composition of the organic and inorganic matrices of bone undergoes alterations during maturation. The aim of this study was to compare Fourier transform infrared (FT-IR) and near-infrared (NIR) Raman microspectroscopy techniques for characterization of the composition of growing and developing bone from young to skeletally mature rabbits. Moreover, the specificity and differences of the techniques for determining bone composition were clarified. The humeri of female New Zealand White rabbits, with age range from young to skeletally mature animals (four age groups, n = 7 per group), were studied. Spectral peak areas, intensities, and ratios related to organic and inorganic matrices of bone were analyzed and compared between the age groups and between FT-IR and Raman microspectroscopic techniques. Specifically, the degree of mineralization, type-B carbonate substitution, crystallinity of hydroxyapatite (HA), mineral content, and collagen maturity were examined. Significant changes during maturation were observed in various compositional parameters with one or both techniques. Overall, the compositional parameters calculated from the Raman spectra correlated with analogous parameters calculated from the IR spectra. Collagen cross-linking (XLR), as determined through peak fitting and directly from the IR spectra, were highly correlated. The mineral/matrix ratio in the Raman spectra was evaluated with multiple different peaks representing the organic matrix. The results showed high correlation with each other. After comparison with the bone mineral density (BMD) values from micro-computed tomography (micro-CT) imaging measurements and crystal size from XRD measurements, it is suggested that Raman microspectroscopy is more sensitive than FT-IR microspectroscopy for the inorganic matrix of the bone. In the literature, similar spectroscopic parameters obtained with FT-IR and NIR Raman microspectroscopic techniques are often compared. According to the present

  3. A NEAR-INFRARED SPECTROSCOPIC STUDY OF YOUNG FIELD ULTRACOOL DWARFS

    Energy Technology Data Exchange (ETDEWEB)

    Allers, K. N. [Department of Physics and Astronomy, Bucknell University, Lewisburg, PA 17837 (United States); Liu, Michael C., E-mail: k.allers@bucknell.edu [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States)

    2013-08-01

    We present a near-infrared (0.9-2.4 {mu}m) spectroscopic study of 73 field ultracool dwarfs having spectroscopic and/or kinematic evidence of youth ( Almost-Equal-To 10-300 Myr). Our sample is composed of 48 low-resolution (R Almost-Equal-To 100) spectra and 41 moderate-resolution spectra (R {approx}> 750-2000). First, we establish a method for spectral typing M5-L7 dwarfs at near-IR wavelengths that is independent of gravity. We find that both visual and index-based classification in the near-IR provides consistent spectral types with optical spectral types, though with a small systematic offset in the case of visual classification at J and K band. Second, we examine features in the spectra of {approx}10 Myr ultracool dwarfs to define a set of gravity-sensitive indices based on FeH, VO, K I, Na I, and H-band continuum shape. We then create an index-based method for classifying the gravities of M6-L5 dwarfs that provides consistent results with gravity classifications from optical spectroscopy. Our index-based classification can distinguish between young and dusty objects. Guided by the resulting classifications, we propose a set of low-gravity spectral standards for the near-IR. Finally, we estimate the ages corresponding to our gravity classifications.

  4. Near infrared spectroscopic (NIRS) analysis of grapes and red-wines

    International Nuclear Information System (INIS)

    Guggenbichler, W.

    2003-04-01

    In this work vine varieties of the genus Vitis as well as grape-must and fully developed wines were examined by Near Infrared Spectroscopy (NIRS). The spectra were obtained by methods of transflection and transmission measurements. It was shown, that spectra of different varieties of grapes and red-wines can be combined in clusters by means of NIR spectroscopy and subsequent principle components analysis (PCA). In addition to this, it was possible to identify blends of two different varieties of wines as such and to determine the ratio of mixture. In several varieties of grape-must these NIR spectroscopic measurements further allowed a quantitative determination of important parameters concerning the quality of grapes, such as: sugar, total acidity, tartaric acid, malic acid, and pH-value. The content of polyphenols in grapes was also analyzed by this method. The total parameter for polyphenols in grapes is a helpful indicator for the optimal harvest time and the quality of grapes. All quantitative calculations were made by the method of partial least square regression (PLS). As these spectroscopic measurements require minimal sample preparations and due to the fact that measurements can be accomplished and results obtained within a few seconds, this method turned out to be a promising option in order to classify wines and to quantify relevant ingredients in grapes. (author)

  5. A spectroscopic comparison of selected Chinese kaolinite, coal bearing kaolinite and halloysite--a mid-infrared and near-infrared study.

    Science.gov (United States)

    Cheng, Hongfei; Yang, Jing; Liu, Qinfu; Zhang, Jinshan; Frost, Ray L

    2010-11-01

    Mid-infrared (MIR) and near-infrared (NIR) spectroscopy have been compared and evaluated for differentiating kaolinite, coal bearing kaolinite and halloysite. Kaolinite, coal bearing kaolinite and halloysite are the three relative abundant minerals of the kaolin group, especially in China. In the MIR spectra, the differences are shown in the 3000-3600 cm⁻¹ between kaolinite and halloysite. It cannot obviously differentiate the kaolinite and halloysite, leaving alone kaolinite and coal bearing kaolinite. However, NIR, together with MIR, gives us the sufficient evidence to differentiate the kaolinite and halloysite, especially kaolinite and coal bearing kaolinite. There are obvious differences between kaolinite and halloysite in all range of their spectra, and they also show some difference between kaolinite and coal bearing kaolinite. Therefore, the reproducibility of measurement, signal to noise ratio and richness of qualitative information should be simultaneously considered for proper selection of a spectroscopic method for mineral analysis. Copyright © 2010 Elsevier B.V. All rights reserved.

  6. Nanoscale Infrared Spectroscopy of Biopolymeric Materials

    Science.gov (United States)

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

    2012-01-01

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

  7. Application of a novel combination of near-infrared spectroscopy and a humidity-controlled 96-well plate to the characterization of the polymorphism of imidafenacin.

    Science.gov (United States)

    Uchida, Hiroshi; Yoshinaga, Tokuji; Mori, Hirotoshi; Otsuka, Makoto

    2010-11-01

    This study aimed to apply a currently available chemometric near-infrared spectroscopy technique to the characterization of the polymorphic properties of drug candidates. The technique requires only small quantities of samples and is therefore applicable to drugs in the early stages of development. The combination of near-infrared spectroscopy and a patented 96-well plate divided into 32 individual, humidity-controlled, three-well compartments was used in the characterization of a hygroscopic drug, imidafenacin, which has two polymorphs and one pseudo-polymorph. Characterization was also conducted with powder X-ray diffraction and thermal analysis. The results were compared with those from routinely used conventional analyses. Both the microanalysis and conventional analysis successfully characterised the substance (transformation and relative stability among the two polymorphs and a pseudo-polymorph) depending on the storage conditions. Near-infrared spectroscopic analyses utilizing a humidity-controlled 96-well plate required only small amounts of the sample for characterization under the various conditions of relative humidity. Near-infrared microanalysis can be applied to polymorphic studies of small quantities of a drug candidate. The results also suggest that the method will predict the behaviors of a hygroscopic candidate in solid pharmaceutical preparations at the early stages of drug development. © 2010 The Authors. JPP © 2010 Royal Pharmaceutical Society of Great Britain.

  8. A time-gated near-infrared spectroscopic imaging device for clinical applications.

    Science.gov (United States)

    Poulet, Patrick; Uhring, Wilfried; Hanselmann, Walter; Glazenborg, René; Nouizi, Farouk; Zint, Virginie; Hirschi, Werner

    2013-03-01

    A time-resolved, spectroscopic, diffuse optical tomography device was assembled for clinical applications like brain functional imaging. The entire instrument lies in a unique setup that includes a light source, an ultrafast time-gated intensified camera and all the electronic control units. The light source is composed of four near infrared laser diodes driven by a nanosecond electrical pulse generator working in a sequential mode at a repetition rate of 100 MHz. The light pulses are less than 80 ps FWHM. They are injected in a four-furcated optical fiber ended with a frontal light distributor to obtain a uniform illumination spot directed towards the head of the patient. Photons back-scattered by the subject are detected by the intensified CCD camera. There are resolved according to their time of flight inside the head. The photocathode is powered by an ultrafast generator producing 50 V pulses, at 100 MHz and a width corresponding to a 200 ps FWHM gate. The intensifier has been specially designed for this application. The whole instrument is controlled by an FPGA based module. All the acquisition parameters are configurable via software through an USB plug and the image data are transferred to a PC via an Ethernet link. The compactness of the device makes it a perfect device for bedside clinical applications. The instrument will be described and characterized. Preliminary data recorded on test samples will be presented.

  9. Near-infrared spectroscopic monitoring of a series of industrial batch processes using a bilinear grey model.

    Science.gov (United States)

    van Sprang, Eric N M; Ramaker, Henk-Jan; Westerhuis, Johan A; Smilde, Age K; Gurden, Stephen P; Wienke, Dietrich

    2003-08-01

    A good process understanding is the foundation for process optimization, process monitoring, end-point detection, and estimation of the end-product quality. Performing good process measurements and the construction of process models will contribute to a better process understanding. To improve the process knowledge it is common to build process models. These models are often based on first principles such as kinetic rates or mass balances. These types of models are also known as hard or white models. White models are characterized by being generally applicable but often having only a reasonable fit to real process data. Other commonly used types of models are empirical or black-box models such as regression and neural nets. Black-box models are characterized by having a good data fit but they lack a chemically meaningful model interpretation. Alternative models are grey models, which are combinations of white models and black models. The aim of a grey model is to combine the advantages of both black-box models and white models. In a qualitative case study of monitoring industrial batches using near-infrared (NIR) spectroscopy, it is shown that grey models are a good tool for detecting batch-to-batch variations and an excellent tool for process diagnosis compared to common spectroscopic monitoring tools.

  10. Fourier transform infrared spectroscopic study of intact cells of the nitrogen-fixing bacterium Azospirillum brasilense

    Science.gov (United States)

    Kamnev, A. A.; Ristić, M.; Antonyuk, L. P.; Chernyshev, A. V.; Ignatov, V. V.

    1997-06-01

    The data of Fourier transform infrared (FTIR) spectroscopic measurements performed on intact cells of the soil nitrogen-fixing bacterium Azospirillum brasilense grown in a standard medium and under the conditions of an increased metal uptake are compared and discussed. The structural FTIR information obtained is considered together with atomic absorption spectrometry (AAS) data on the content of metal cations in the bacterial cells. Some methodological aspects concerning preparation of bacterial cell samples for FTIR measurements are also discussed.

  11. FRIENDS OF HOT JUPITERS. III. AN INFRARED SPECTROSCOPIC SEARCH FOR LOW-MASS STELLAR COMPANIONS

    Energy Technology Data Exchange (ETDEWEB)

    Piskorz, Danielle; Knutson, Heather A.; Ngo, Henry; Batygin, Konstantin [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA (United States); Muirhead, Philip S. [Institute for Astrophysical Research, Boston University, Boston, MA (United States); Crepp, Justin R. [Department of Physics, University of Notre Dame, South Bend, IN (United States); Hinkley, Sasha [Department of Physics and Astronomy, University of Exeter, Exeter (United Kingdom); Morton, Timothy D., E-mail: dpiskorz@gps.caltech.edu [Department of Astrophysical Sciences, Princeton University, Princeton, NJ (United States)

    2015-12-01

    Surveys of nearby field stars indicate that stellar binaries are common, yet little is known about the effects that these companions may have on planet formation and evolution. The Friends of Hot Jupiters project uses three complementary techniques to search for stellar companions to known planet-hosting stars: radial velocity monitoring, adaptive optics imaging, and near-infrared spectroscopy. In this paper, we examine high-resolution K band infrared spectra of fifty stars hosting gas giant planets on short-period orbits. We use spectral fitting to search for blended lines due to the presence of cool stellar companions in the spectra of our target stars, where we are sensitive to companions with temperatures between 3500 and 5000 K and projected separations less than 100 AU in most systems. We identify eight systems with candidate low-mass companions, including one companion that was independently detected in our AO imaging survey. For systems with radial velocity accelerations, a spectroscopic non-detection rules out scenarios involving a stellar companion in a high inclination orbit. We use these data to place an upper limit on the stellar binary fraction at small projected separations, and show that the observed population of candidate companions is consistent with that of field stars and also with the population of wide-separation companions detected in our previous AO survey. We find no evidence that spectroscopic stellar companions are preferentially located in systems with short-period gas giant planets on eccentric and/or misaligned orbits.

  12. FRIENDS OF HOT JUPITERS. III. AN INFRARED SPECTROSCOPIC SEARCH FOR LOW-MASS STELLAR COMPANIONS

    International Nuclear Information System (INIS)

    Piskorz, Danielle; Knutson, Heather A.; Ngo, Henry; Batygin, Konstantin; Muirhead, Philip S.; Crepp, Justin R.; Hinkley, Sasha; Morton, Timothy D.

    2015-01-01

    Surveys of nearby field stars indicate that stellar binaries are common, yet little is known about the effects that these companions may have on planet formation and evolution. The Friends of Hot Jupiters project uses three complementary techniques to search for stellar companions to known planet-hosting stars: radial velocity monitoring, adaptive optics imaging, and near-infrared spectroscopy. In this paper, we examine high-resolution K band infrared spectra of fifty stars hosting gas giant planets on short-period orbits. We use spectral fitting to search for blended lines due to the presence of cool stellar companions in the spectra of our target stars, where we are sensitive to companions with temperatures between 3500 and 5000 K and projected separations less than 100 AU in most systems. We identify eight systems with candidate low-mass companions, including one companion that was independently detected in our AO imaging survey. For systems with radial velocity accelerations, a spectroscopic non-detection rules out scenarios involving a stellar companion in a high inclination orbit. We use these data to place an upper limit on the stellar binary fraction at small projected separations, and show that the observed population of candidate companions is consistent with that of field stars and also with the population of wide-separation companions detected in our previous AO survey. We find no evidence that spectroscopic stellar companions are preferentially located in systems with short-period gas giant planets on eccentric and/or misaligned orbits

  13. Matrix isolation infrared spectroscopic and theoretical study of 1,1,1-trifluoro-2-chloroethane (HCFC-133a)

    Science.gov (United States)

    Rodrigues, Gessenildo Pereira; Lucena, Juracy Régis; Ventura, Elizete; Andrade do Monte, Silmar; Reva, Igor; Fausto, Rui

    2013-11-01

    The molecular structure and infrared spectrum of the atmospheric pollutant 1,1,1-trifluoro-2-chloroethane (HCFC-133a; CF3CH2Cl) in the ground electronic state were characterized experimentally and theoretically. Excited state calculations (at the CASSCF, MR-CISD, and MR-CISD+Q levels) have also been performed in the range up to ˜9.8 eV. The theoretical calculations show the existence of one (staggered) conformer, which has been identified spectroscopically for the monomeric compound isolated in cryogenic (˜10 K) argon and xenon matrices. The observed infrared spectra of the matrix-isolated HCFC-133a were interpreted with the aid of MP2/aug-cc-pVTZ calculations and normal coordinate analysis, which allowed a detailed assignment of the observed spectra to be carried out, including identification of bands due to different isotopologues (35Cl and 37Cl containing molecules). The calculated energies of the several excited states along with the values of oscillator strengths and previous results obtained for CFCs and HCFCs suggest that the previously reported photolyses of the title compound at 147 and 123.6 nm [T. Ichimura, A. W. Kirk, and E. Tschuikow-Roux, J. Phys. Chem. 81, 1153 (1977)] are likely to be initiated in the n-4s and n-4p Rydberg states, respectively.

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

    Directory of Open Access Journals (Sweden)

    Boris Zimmermann

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

  15. Book Review: Reiner Salzer and Heinz W. Siesler (Eds.): Infrared and Raman spectroscopic imaging, 2nd ed

    International Nuclear Information System (INIS)

    Moore, David Steven

    2015-01-01

    This second edition of 'Infrared and Raman Spectroscopic Imaging' propels practitioners in that wide-ranging field, as well as other readers, to the current state of the art in a well-produced and full-color, completely revised and updated, volume. This new edition chronicles the expanded application of vibrational spectroscopic imaging from yesterday's time-consuming point-by-point buildup of a hyperspectral image cube, through the improvements afforded by the addition of focal plane arrays and line scan imaging, to methods applicable beyond the diffraction limit, instructs the reader on the improved instrumentation and image and data analysis methods, and expounds on their application to fundamental biomedical knowledge, food and agricultural surveys, materials science, process and quality control, and many others

  16. Spectroscopic Characterization of Key Aromatic Molecules: A Route toward The Origin of Life.

    Science.gov (United States)

    Puzzarini, Cristina; Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo; Murphy, Thomas E; Drew, Dennis; Ali, Ashraf

    2017-08-04

    To gain information on the abiotic synthesis of the building blocks of life from simple molecules, and their subsequent chemical evolution to biological systems, the starting point is the identification of target species in Titan-like planets, i.e., planets that resemble the primitive Earth, as well as in Earth-like planets in the habitable zone of their star, namely planets where life can be already originated. In this scenario, molecular spectroscopy plays a crucial role because spectroscopic signatures are at the basis of an unequivocal proof for the presence of these target molecules. Thanks to the advances in many different techniques and to the NASA successful Kepler exoplanet transit mission, thousands of diverse planets outside of our solar system have been discovered. The James Webb Space Telescope (JWST), scheduled to be launched in 2018, will be very helpful in the identification of biosignature gases in Earth-like planets' atmospheres and of prebiotic molecule signatures in Titan-like atmospheres by observing their absorption during transits. While the search for key-target molecules in exoplanet atmospheres can be carried out by the JWST Transit Spectroscopy in the infrared (IR) region (0.6 - 29 µm wavelength range), opportunities for their detection in protostellar cores, protoplanetary disks and on Titan are also offered by the interferometric high spectral and spatial resolution observations using the Atacama Large Millimeter/submillimeter Array (ALMA). In the present work, target molecules have been selected and their spectroscopic characterization presented in view of supporting their infrared and complementary millimeter/submillimeter-wave spectral observations. In detail, the selected target molecules include: (1) the three-membered oxygen-containing heterocycles: oxirane and protonated oxirane, (2) the cyclopropenyl cation and its methyl derivative, (3) two examples of ortho- and peri-fused tri-cyclic aromatic rings, i.e., the phenalenyl

  17. Fourier transform infrared spectroscopy of peptides.

    Science.gov (United States)

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

    2014-01-01

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

  18. Spectroscopic Challenges in the Modelling and Diagnostics of High Temperature Air Plasma Radiation for Aerospace Applications

    International Nuclear Information System (INIS)

    Laux, Christophe O.

    2007-01-01

    State-of-the-art spectroscopic models of the radiative transitions of interest for Earth re-entry and ground-based diagnostic facilities for aerospace applications are reviewed. The spectral range considered extends from the vacuum ultraviolet to the mid-infrared range (80 nm to 5.5 μm). The modeling results are compared with absolute intensity measurements of the ultraviolet-visible-infrared emission of a well-characterized high-temperature air plasma produced with a 50 kW inductively coupled radio-frequency plasma torch, and with high-resolution absorption spectra from the Center for Astrophysics in the vacuum ultraviolet. The Spectroscopic data required to better model the spectral features of interest for aerospace applications are discussed

  19. Infrared Spectroscopic Analyses of Sulfate, Nitrate, and Carbonate-bearing Atacama Desert Soils: Analogs for the Interpretation of Infrared Spectra from the Martian Surface

    Science.gov (United States)

    Dalton, J. B.; Dalton, J. B.; Ewing, S. A.; Amundson, R.; McKay, C. P.

    2005-01-01

    The Atacama Desert of northern Chile is the driest desert on Earth, receiving only a few mm of rain per decade. The Mars climate may, in the past, have been punctuated by short-lived episodes of aqueous activity. The paleo-Martian environment may have had aqueous conditions similar to the current conditions that exist in the Atacama, and Mars soils may have formed with soil chemistry and mineralogy similar to those found in the Atacama. Remote and in-situ analysis of the Martian surface using infrared technology has a long heritage. Future investigations of the subsurface mineralogy are likely to build upon this heritage, and will benefit from real life lessons to be learned from terrestrial analog studies. To that end, preliminary results from a near- and mid-infrared spectroscopic study of Atacama soil profiled at a range of depths are presented.

  20. Crystal Growth and Spectroscopic characterization of chloride and bromide single crystals doped with rare earth ions for the mid infrared amplification

    International Nuclear Information System (INIS)

    Ferrier, A.

    2007-12-01

    This work is devoted to the study of low phonon energy crystals doped with rare earth ions for the realisation of diode-pumped solid state laser sources emitting in the middle infrared. For that purpose, pure and (Er 3+ or Pr 3+ ) doped single crystals of KPb 2 Cl 5 and Tl 3 PbX 5 (X=Cl, Br) have been elaborated by using the Bridgman-Stockbarger method. These non-hygroscopic and congruent melting materials have been found to exhibit phase transitions during the cooling process but which do not limit the elaboration of centimeter-size single crystals. The spectroscopic study of the Er 3+ doped compounds has been performed both at high and low temperatures. It thus appears that these systems present long fluorescence lifetimes and relatively large gain cross sections favorable for a laser emission around 4.5μm. It has been demonstrated further that the up-conversion processes resulting from excited-state absorptions of the Er 3+ ions around the pumping wavelength as well as the energy transfer processes between the Er 3+ ions do not lead to significant optical losses for the laser system. The derived parameters then have been used to build a model and simulate the laser operation of the system following diode pumping around 800 nm. In the end, the spectroscopic study of the Pr 3+ ion in various materials has allowed us to evidence large emission cross sections associated with long fluorescence lifetimes, now favorable to a laser emission around 5μm. (author)

  1. DISCOVERY OF THREE DISTANT, COLD BROWN DWARFS IN THE WFC3 INFRARED SPECTROSCOPIC PARALLELS SURVEY

    International Nuclear Information System (INIS)

    Masters, D.; Siana, B.; McCarthy, P.; Hathi, N. P.; Dressler, A.; Burgasser, A. J.; Malkan, M.; Ross, N. R.; Scarlata, C.; Henry, A.; Colbert, J.; Atek, H.; Rafelski, M.; Teplitz, H.; Bunker, A.

    2012-01-01

    We present the discovery of three late-type (≥T4.5) brown dwarfs, including a probable Y dwarf, in the WFC3 Infrared Spectroscopic Parallels (WISP) survey. We use the G141 grism spectra to determine the spectral types of the dwarfs and derive distance estimates based on a comparison with nearby T dwarfs with known parallaxes. These are the most distant spectroscopically confirmed T/Y dwarfs, with the farthest at an estimated distance of ∼400 pc. We compare the number of cold dwarfs found in the WISP survey with simulations of the brown dwarf mass function. The number found is generally consistent with an initial stellar mass function dN/dM∝M –α with α = 0.0-0.5, although the identification of a Y dwarf is somewhat surprising and may be indicative of either a flatter absolute magnitude/spectral-type relation than previously reported or an upturn in the number of very-late-type brown dwarfs in the observed volume.

  2. Zinc acetylacetonate hydrate adducted with nitrogen donor ligands: Synthesis, spectroscopic characterization, and thermal analysis

    Science.gov (United States)

    Brahma, Sanjaya; Shivashankar, S. A.

    2015-12-01

    We report synthesis, spectroscopic characterization, and thermal analysis of zinc acetylacetonate complex adducted by nitrogen donor ligands, such as pyridine, bipyridine, and phenanthroline. The pyridine adducted complex crystallizes to monoclinic crystal structure, whereas other two adducted complexes have orthorhombic structure. Addition of nitrogen donor ligands enhances the thermal property of these complexes as that with parent metal-organic complex. Zinc acetylacetonate adducted with pyridine shows much higher volatility (106 °C), decomposition temperature (202 °C) as that with zinc acetylacetonate (136 °C, 220 °C), and other adducted complexes. All the adducted complexes are thermally stable, highly volatile and are considered to be suitable precursors for metal organic chemical vapor deposition. The formation of these complexes is confirmed by powder X-ray diffraction, Fourier transform infrared spectroscopy, mass spectroscopy, and elemental analysis. The complexes are widely used as starting precursor materials for the synthesis of ZnO nanostructures by microwave irradiation assisted coating process.

  3. Electrochemical and Spectroscopic Characterization of Aluminium(III-para-methyl-meso-tetraphenylporphyrin Complexes Containing Substituted Salicylates as Axial Ligands

    Directory of Open Access Journals (Sweden)

    Gauri D. Bajju

    2013-01-01

    Full Text Available A series of aluminium(III-p-methyl-meso-tetraphenylporphyrin (p-CH3TPP-Al(III containing axially coordinated salicylate anion [p-CH3TPP-Al-X], where X = salicylate (SA, 4-chlorosalicylate (4-CSA, 5-chlorosalicylate (5-CSA, 5-flourosalicylate (5-FSA, 4-aminosalicylate (4-ASA, 5-aminosalicylate (5-ASA, 5-nitrosalicylate (5-NSA, and 5-sulfosalicylate (5-SSA, have been synthesized and characterized by various spectroscopic techniques including ultraviolet-visible (UV-vis, infrared (IR spectroscopy, proton nuclear magnetic resonance (1H NMR spectroscopy, 13C NMR, and elemental analysis. A detailed study of electrochemistry of all the synthesized compounds has been done to compare their oxidation and reduction mechanisms and to explain the effect of axial coordination on their redox properties.

  4. Raman and infrared spectroscopic studies of the structure of water (H2O, HOD, D2O) in stoichiometric crystalline hydrates and in electrolyte solutions

    International Nuclear Information System (INIS)

    Buanam-Om, C.

    1981-01-01

    The chapter of reviews presents in particular the Badger-Bauer-rule, distance and angle dependence of O-H...Y hydrogen bond and the structure of aqueous electrolyte solutions. A chapter of vibrational spectroscopic investigations of crystalline hydrates - metal perchlorate hydrates follows. Two further chapters just so investigate metal halide hydrates and some sulfate hydrates and related systems. The following chapter describes near infrared spectroscopic investigations of HOD(D 2 O) and its electrolyte solutions. The concluding chapter contains thermodynamic consequences and some properties of electrolyte solutions from vibrational spectroscopic investigations. (SPI) [de

  5. Ultra-Trace Chemical Sensing with Long-Wave Infrared Cavity-Enhanced Spectroscopic Sensors

    Energy Technology Data Exchange (ETDEWEB)

    Taubman, Matthew S.; Myers, Tanya L.; Cannon, Bret D.; Williams, Richard M.; Schultz, John F.

    2003-02-20

    The infrared sensors task of Pacific Northwest National Laboratory's (PNNL's) Remote Spectroscopy Project (Task B of Project PL211) is focused on the science and technology of remote and in-situ spectroscopic chemical sensors for detecting proliferation and coun-tering terrorism. Missions to be addressed by remote chemical sensor development in-clude detecting proliferation of nuclear or chemical weapons, and providing warning of terrorist use of chemical weapons. Missions to be addressed by in-situ chemical sensor development include countering terrorism by screening luggage, personnel, and shipping containers for explosives, firearms, narcotics, chemical weapons, or chemical weapons residues, and mapping contaminated areas. The science and technology is also relevant to chemical weapons defense, air operations support, monitoring emissions from chemi-cal weapons destruction or industrial activities, law enforcement, medical diagnostics, and other applications. Sensors for most of these missions will require extreme chemical sensitivity and selectiv-ity because the signature chemicals of importance are expected to be present in low con-centrations or have low vapor pressures, and the ambient air is likely to contain pollutants or other chemicals with interfering spectra. Cavity-enhanced chemical sensors (CES) that draw air samples into optical cavities for laser-based interrogation of their chemical content promise real-time, in-situ chemical detection with extreme sensitivity to specified target molecules and superb immunity to spectral interference and other sources of noise. PNNL is developing CES based on quantum cascade (QC) lasers that operate in the mid-wave infrared (MWIR - 3 to 5 microns) and long-wave infrared (LWIR - 8 to 14 mi-crons), and CES based on telecommunications lasers operating in the short-wave infrared (SWIR - 1 to 2 microns). All three spectral regions are promising because smaller mo-lecular absorption cross sections in the SWIR

  6. Preliminary spectroscopic characterization of PEGylated mucin, a ...

    African Journals Online (AJOL)

    The matrices were characterized with respect to compatibility using the Fourier transform infrared (FT-IR) spectroscopy. Results of the qualitative tests performed on the snail mucin showed that carbohydrates, proteins and trace amounts of fats were present; the extracted mucin was light-brownish in colour, with a pleasant ...

  7. THE NASA AMES POLYCYCLIC AROMATIC HYDROCARBON INFRARED SPECTROSCOPIC DATABASE: THE COMPUTED SPECTRA

    International Nuclear Information System (INIS)

    Bauschlicher, C. W.; Ricca, A.; Boersma, C.; Mattioda, A. L.; Cami, J.; Peeters, E.; Allamandola, L. J.; Sanchez de Armas, F.; Puerta Saborido, G.; Hudgins, D. M.

    2010-01-01

    The astronomical emission features, formerly known as the unidentified infrared bands, are now commonly ascribed to polycyclic aromatic hydrocarbons (PAHs). The laboratory experiments and computational modeling done at the NASA Ames Research Center to create a collection of PAH IR spectra relevant to test and refine the PAH hypothesis have been assembled into a spectroscopic database. This database now contains over 800 PAH spectra spanning 2-2000 μm (5000-5 cm -1 ). These data are now available on the World Wide Web at www.astrochem.org/pahdb. This paper presents an overview of the computational spectra in the database and the tools developed to analyze and interpret astronomical spectra using the database. A description of the online and offline user tools available on the Web site is also presented.

  8. Characterization of ion-implanted aluminum and iron by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Brodkin, J.S.; Franzen, W.; Culbertson, R.J.

    1990-01-01

    The change in the optical constants of aluminum alloy and iron samples caused by implantation with nitrogen and chromium ions has been investigated by spectroscopic ellipsometry. The objective is to develop a method for simple, non-destructive characterization of ion-implanted metals. 5 refs., 6 figs

  9. Sub-THz spectroscopic characterization of vibrational modes in artificially designed DNA monocrystal

    International Nuclear Information System (INIS)

    Sizov, Igor; Rahman, Masudur; Gelmont, Boris; Norton, Michael L.; Globus, Tatiana

    2013-01-01

    Highlights: • Sub-THz spectroscopy is used to characterize artificially designed DNA monocrystal. • Results are obtained using a novel near field, RT, frequency domain spectrometer. • Narrow resonances of 0.1 cm −1 width in absorption spectra of crystal are observed. • Signature measured between 310 and 490 GHz is reproducible and well resolved. • Absorption pattern is explained in part by simulation results from dsDNA fragment. - Abstract: Sub-terahertz (sub-THz) vibrational spectroscopy is a new spectroscopic branch for characterizing biological macromolecules. In this work, highly resolved sub-THz resonance spectroscopy is used for characterizing engineered molecular structures, an artificially designed DNA monocrystal, built from a short DNA sequence. Using a recently developed frequency domain spectroscopic instrument operating at room temperature with high spectral and spatial resolution, we demonstrated very intense and specific spectral lines from a DNA crystal in general agreement with a computational molecular dynamics (MD) simulation of a short double stranded DNA fragment. The spectroscopic signature measured in the frequency range between 310 and 490 GHz is rich in well resolved and reproducible spectral features thus demonstrating the capability of THz resonance spectroscopy to be used for characterizing custom macromolecules and structures designed and implemented via nanotechnology for a wide variety of application domains. Analysis of MD simulation indicates that intense and narrow vibrational modes with atomic movements perpendicular (transverse) and parallel (longitudinal) to the long DNA axis coexist in dsDNA, with much higher contribution from longitudinal vibrations

  10. Application of spectroscopic techniques for the study of paper documents: A survey

    International Nuclear Information System (INIS)

    Manso, M.; Carvalho, M.L.

    2009-01-01

    For many centuries paper was the main material for recording cultural achievements all over the world. Paper is mostly made from cellulose with small amounts of organic and inorganic additives, which allow its identification and characterization and may also contribute to its degradation. Prior to 1850, paper was made entirely from rags, using hemp, flax and cotton fibres. After this period, due to the enormous increase in demand, wood pulp began to be commonly used as raw material, resulting in rapid degradation of paper. Spectroscopic techniques represent one of the most powerful tools to investigate the constituents of paper documents in order to establish its identification and its state of degradation. This review describes the application of selected spectroscopic techniques used for paper characterization and conservation. The spectroscopic techniques that have been used and will be reviewed include: Fourier-Transform Infrared spectroscopy, Raman spectroscopy, Nuclear Magnetic Resonance spectroscopy, X-Ray spectroscopy, Laser-based Spectroscopy, Inductively Coupled Mass Spectroscopy, Laser ablation, Atomic Absorption Spectroscopy and X-Ray Photoelectron Spectroscopy.

  11. Fourier transform infrared spectroscopy in physics laboratory courses

    International Nuclear Information System (INIS)

    Möllmann, K-P; Vollmer, M

    2013-01-01

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

  12. Overview of ultraviolet and infrared spectroscopic properties of Yb3+ doped borate and oxy-borates compounds

    International Nuclear Information System (INIS)

    Sablayrolles, J.

    2006-12-01

    The trivalent ytterbium ion can give rise to two emissions with different spectroscopic properties: the first one, with a short lifetime, in the ultraviolet (charge transfer emission) is used in detectors such as scintillators, and the other one, with a long lifetime, in the infrared (4f-4f emission) for laser applications. The strong link between material structure and properties is illustrated through ytterbium luminescence study, in the ultraviolet and infrared, inserted in the borate Li 6 Y(BO 3 ) 3 and two oxy-borates: LiY 6 O 5 (BO 3 ) 3 and Y 17,33 B 8 O 38 . For the first time an ytterbium charge transfer emission in oxy-borates has been observed. The calculation of the single configurational coordinate diagram, as well as the thermal quenching, has been conducted under a fundamental approach on the ytterbium - oxygen bond. The study of the ytterbium infrared spectroscopy in these compounds has been realised and an energy level attribution is proposed in the particular case of the borate Li 6 Y(BO 3 ) 3 : Yb 3+ . An original approach is introduced with the study of the charge transfer states for the three compounds by looking at the infrared emission. The first laser performances in three operating modes (continuous wave, Q-switch and mode locking) of a Li 6 Y(BO 3 ) 3 : Yb 3+ crystal are reported. (author)

  13. The nitro-reduced metabolite of nimesulide: Crystal structure, spectroscopic characterization, ESI-QTOF mass spectrometric analysis and antibacterial evaluation

    Science.gov (United States)

    Nunes, Julia H. B.; Nakahata, Douglas H.; Lustri, Wilton R.; Corbi, Pedro P.; de Paiva, Raphael E. F.

    2018-04-01

    Here we present a synthetic procedure, spectroscopic characterization and single-crystal X-ray structure for the nitro-reduced metabolite of the anti-inflammatory drug nimesulide, hereby referred to as NMS-NH2. The nitro-reduced metabolite was synthesized using the Béchamp reduction (iron powder under acidic media), leading to the conversion of the nitrobenzene group of nimesulide to an aniline. Mass spectrometry, infrared and nuclear magnetic resonance spectroscopies data are also provided for NMS-NH2, and discussed in comparison to nimesulide. NMS-NH2 was also evaluated in terms of its antibacterial activities, considering that the free sbnd NH2 group could allow the compound to act as a dihydropteroate synthase inhibitor. NMS-NH2 had a modest antibacterial activity against P. aeruginosa (5.0 mg mL-1), which was not observed for NMS.

  14. Fourier transform infrared spectroscopic study of gamma irradiated SiO2 nanoparticles

    Science.gov (United States)

    Huseynov, Elchin; Garibov, Adil; Mehdiyeva, Ravan; Huseynova, Efsane

    2018-03-01

    In the present work, nano SiO2 particles are investigated before and after gamma irradiation (25, 50, 75, 100 and 200 kGy) using Fourier transform infrared (FTIR) spectroscopy method for the wavenumber between 400-4000 cm-1. It is found that as a result of spectroscopic analysis, five new peaks have appeared after gamma radiation. Two of new obtained peaks (which are located at 687 cm-1 and 2357 cm-1 of wavenumber) were formed as a result of gamma radiation interaction with Si-O bonds. Another three new peaks (peaks appropriate to 941, 2052 and 2357 cm-1 values of wavenumber) appear as a result of interaction of water with nano SiO2 particles after gamma irradiation. It has been defined as asymmetrical bending vibration, symmetrical bending vibration, symmetrical stretching vibration and asymmetrical stretching vibration of Si-O bonds appropriate to peaks.

  15. One- and two-dimensional infrared spectroscopic studies of solution-phase homogeneous catalysis and spin-forbidden reactions

    Energy Technology Data Exchange (ETDEWEB)

    Sawyer, Karma Rae [Univ. of California, Berkeley, CA (United States)

    2008-12-01

    Understanding chemical reactions requires the knowledge of the elementary steps of breaking and making bonds, and often a variety of experimental techniques are needed to achieve this goal. The initial steps occur on the femto- through picosecond time-scales, requiring the use of ultrafast spectroscopic methods, while the rate-limiting steps often occur more slowly, requiring alternative techniques. Ultrafast one and two-dimensional infrared and step-scan FTIR spectroscopies are used to investigate the photochemical reactions of four organometallic complexes. The analysis leads to a detailed understanding of mechanisms that are general in nature and may be applicable to a variety of reactions.

  16. MID-INFRARED SPECTROSCOPIC OBSERVATIONS OF THE DUST-FORMING CLASSICAL NOVA V2676 OPH

    Energy Technology Data Exchange (ETDEWEB)

    Kawakita, Hideyo; Arai, Akira; Shinnaka, Yoshiharu [Koyama Astronomical Observatory, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan); Ootsubo, Takafumi [Department of Earth Science and Astronomy, Graduate School of Arts and Sciences, The University of Tokyo, 3-8-1 Komaba, Meguro-ku, Tokyo 153-8902 (Japan); Nagashima, Masayoshi, E-mail: kawakthd@cc.kyoto-su.ac.jp [Department of Physics, Faculty of Science, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan)

    2017-02-01

    The dust-forming nova V2676 Oph is unique in that it was the first nova to provide evidence of C{sub 2} and CN molecules during its near-maximum phase and evidence of CO molecules during its early decline phase. Observations of this nova have revealed the slow evolution of its lightcurves and have also shown low isotopic ratios of carbon ({sup 12}C/{sup 13}C) and nitrogen ({sup 14}N/{sup 15}N) in its envelope. These behaviors indicate that the white dwarf (WD) star hosting V2676 Oph is a CO-rich WD rather than an ONe-rich WD (typically larger in mass than the former). We performed mid-infrared spectroscopic and photometric observations of V2676 Oph in 2013 and 2014 (respectively 452 and 782 days after its discovery). No significant [Ne ii] emission at 12.8 μ m was detected at either epoch. These provided evidence for a CO-rich WD star hosting V2676 Oph. Both carbon-rich and oxygen-rich grains were detected in addition to an unidentified infrared feature at 11.4 μ m originating from polycyclic aromatic hydrocarbon molecules or hydrogenated amorphous carbon grains in the envelope of V2676 Oph.

  17. Infrared LED Enhanced Spectroscopic CdZnTe Detector Working under High Fluxes of X-rays

    Directory of Open Access Journals (Sweden)

    Jakub Pekárek

    2016-09-01

    Full Text Available This paper describes an application of infrared light-induced de-polarization applied on a polarized CdZnTe detector working under high radiation fluxes. We newly demonstrate the influence of a high flux of X-rays and simultaneous 1200-nm LED illumination on the spectroscopic properties of a CdZnTe detector. CdZnTe detectors operating under high radiation fluxes usually suffer from the polarization effect, which occurs due to a screening of the internal electric field by a positive space charge caused by photogenerated holes trapped at a deep level. Polarization results in the degradation of detector charge collection efficiency. We studied the spectroscopic behavior of CdZnTe under various X-ray fluxes ranging between 5 × 10 5 and 8 × 10 6 photons per mm 2 per second. It was observed that polarization occurs at an X-ray flux higher than 3 × 10 6 mm − 2 ·s − 1 . Using simultaneous illumination of the detector by a de-polarizing LED at 1200 nm, it was possible to recover X-ray spectra originally deformed by the polarization effect.

  18. Mid-infrared fiber-coupled supercontinuum spectroscopic imaging using a tapered chalcogenide photonic crystal fiber

    Science.gov (United States)

    Rosenberg Petersen, Christian; Prtljaga, Nikola; Farries, Mark; Ward, Jon; Napier, Bruce; Lloyd, Gavin Rhys; Nallala, Jayakrupakar; Stone, Nick; Bang, Ole

    2018-02-01

    We present the first demonstration of mid-infrared spectroscopic imaging of human tissue using a fiber-coupled supercontinuum source spanning from 2-7.5 μm. The supercontinuum was generated in a tapered large mode area chalcogenide photonic crystal fiber in order to obtain broad bandwidth, high average power, and single-mode output for good imaging properties. Tissue imaging was demonstrated in transmission by raster scanning over a sub-mm region of paraffinized colon tissue on CaF2 substrate, and the signal was measured using a fiber-coupled grating spectrometer. This demonstration has shown that we can distinguish between epithelial and surrounding connective tissues within a paraffinized section of colon tissue by imaging at discrete wavelengths related to distinct chemical absorption features.

  19. Correcting the effect of refraction and dispersion of light in FT-IR spectroscopic imaging in transmission through thick infrared windows.

    Science.gov (United States)

    Chan, K L Andrew; Kazarian, Sergei G

    2013-01-15

    Transmission mode is one of the most common sampling methods for FT-IR spectroscopic imaging because the spectra obtained generally have a reasonable signal-to-noise ratio. However, dispersion and refraction of infrared light occurs when samples are sandwiched between infrared windows or placed underneath a layer of liquid. Dispersion and refraction cause infrared light to focus with different focal lengths depending on the wavelength (wavenumber) of the light. As a result, images obtained are in focus only at a particular wavenumber while they are defocused at other wavenumber values. In this work, a solution to correct this spread of focus by means of adding a lens on top of the infrared transparent window, such that a pseudo hemisphere is formed, has been investigated. Through this lens (or pseudo hemisphere), refraction of light is removed and the light across the spectral range has the same focal depth. Furthermore, the lens acts as a solid immersion objective and an increase of both magnification and spatial resolution (by 1.4 times) is demonstrated. The spatial resolution was investigated using an USAF resolution target, showing that the Rayleigh criterion can be achieved, as well as a sample with a sharp polymer interface to indicate the spatial resolution that can be expected in real samples. The reported approach was used to obtain chemical images of cross sections of cancer tissue and hair samples sandwiched between infrared windows showing the versatility and applicability of the method. In addition to the improved spatial resolution, the results reported herein also demonstrate that the lens can reduce the effect of scattering near the edges of tissue samples. The advantages of the presented approach, obtaining FT-IR spectroscopic images in transmission mode with the same focus across all wavenumber values and simultaneous improvement in spatial resolution, will have wide implications ranging from studies of live cells to sorption of drugs into tissues.

  20. Built-in hyperspectral camera for smartphone in visible, near-infrared and middle-infrared lights region (second report): sensitivity improvement of Fourier-spectroscopic imaging to detect diffuse reflection lights from internal human tissues for healthcare sensors

    Science.gov (United States)

    Kawashima, Natsumi; Hosono, Satsuki; Ishimaru, Ichiro

    2016-05-01

    We proposed the snapshot-type Fourier spectroscopic imaging for smartphone that was mentioned in 1st. report in this conference. For spectroscopic components analysis, such as non-invasive blood glucose sensors, the diffuse reflection lights from internal human skins are very weak for conventional hyperspectral cameras, such as AOTF (Acousto-Optic Tunable Filter) type. Furthermore, it is well known that the spectral absorption of mid-infrared lights or Raman spectroscopy especially in long wavelength region is effective to distinguish specific biomedical components quantitatively, such as glucose concentration. But the main issue was that photon energies of middle infrared lights and light intensities of Raman scattering are extremely weak. For improving sensitivity of our spectroscopic imager, the wide-field-stop & beam-expansion method was proposed. Our line spectroscopic imager introduced a single slit for field stop on the conjugate objective plane. Obviously to increase detected light intensities, the wider slit width of the field stop makes light intensities higher, regardless of deterioration of spatial resolutions. Because our method is based on wavefront-division interferometry, it becomes problems that the wider width of single slit makes the diffraction angle narrower. This means that the narrower diameter of collimated objective beams deteriorates visibilities of interferograms. By installing the relative inclined phaseshifter onto optical Fourier transform plane of infinity corrected optical systems, the collimated half flux of objective beams derived from single-bright points on objective surface penetrate through the wedge prism and the cuboid glass respectively. These two beams interfere each other and form the infererogram as spatial fringe patterns. Thus, we installed concave-cylindrical lens between the wider slit and objective lens as a beam expander. We successfully obtained the spectroscopic characters of hemoglobin from reflected lights from

  1. Near-infrared spectroscopic observations of massive young stellar object candidates in the central molecular zone

    Science.gov (United States)

    Nandakumar, G.; Schultheis, M.; Feldmeier-Krause, A.; Schödel, R.; Neumayer, N.; Matteucci, F.; Ryde, N.; Rojas-Arriagada, A.; Tej, A.

    2018-01-01

    Context. The central molecular zone (CMZ) is a 200 pc region around the Galactic centre. The study of star formation in the central part of the Milky Way is of great interest as it provides a template for the closest galactic nuclei. Aims: We present a spectroscopic follow-up of photometrically selected young stellar object (YSO) candidates in the CMZ of the Galactic centre. Our goal is to quantify the contamination of this YSO sample by reddened giant stars with circumstellar envelopes and to determine the star formation rate (SFR) in the CMZ. Methods: We obtained KMOS low-resolution near-infrared spectra (R 4000) between 2.0 and 2.5 μm of sources, many of which have been previously identified by mid-infrared photometric criteria as massive YSOs in the Galactic centre. Our final sample consists of 91 stars with good signal-to-noise ratio. We separated YSOs from cool late-type stars based on spectral features of CO and Brγ at 2.3 μm and 2.16 μm, respectively. We made use of spectral energy distribution (SED) model fits to the observed photometric data points from 1.25 to 24 μm to estimate approximate masses for the YSOs. Results: Using the spectroscopically identified YSOs in our sample, we confirm that existing colour-colour diagrams and colour-magnitude diagrams are unable to efficiently separate YSOs and cool late-type stars. In addition, we define a new colour-colour criterion that separates YSOs from cool late-type stars in the H-KS vs. H -[8.0] diagram. We use this new criterion to identify YSO candidates in the |l| rate than predicted by various star forming models. Based on observations collected at the European Southern Observatory, Chile, programme number 097.C-0208(A).

  2. Spectroscopic analysis of bladder cancer tissues using Fourier transform infrared spectroscopy

    Science.gov (United States)

    Al-Muslet, Nafie A.; Ali, Essam E.

    2012-03-01

    Bladder cancer is one of the most common cancers in Africa. It takes several days to reach a diagnosis using histological examinations of specimens obtained by endoscope, which increases the medical expense. Recently, spectroscopic analysis of bladder cancer tissues has received considerable attention as a diagnosis technique due to its sensitivity to biochemical variations in the samples. This study investigated the use of Fourier transform infrared (FTIR) spectroscopy to analyze a number of bladder cancer tissues. Twenty-two samples were collected from 11 patients diagnosed with bladder cancer from different hospitals without any pretreatment. From each patient two samples were collected, one normal and another cancerous. FTIR spectrometer was used to differentiate between normal and cancerous bladder tissues via changes in spectra of these samples. The investigations detected obvious changes in the bands of proteins (1650, 1550 cm-1), lipids (2925, 2850 cm-1), and nucleic acid (1080, 1236 cm-1). The results show that FTIR spectroscopy is promising as a rapid, accurate, nondestructive, and easy to use alternative method for identification and diagnosis of bladder cancer tissues.

  3. Infrared spectroscopic analysis of the effects of simulated space radiation on a polyimide

    Science.gov (United States)

    Ferl, J. E.; Long, E. R., Jr.

    1981-01-01

    Infrared spectroscopic techniques have been used to study the effects of electron radiation on the polyimide PMDA-p,p-prime- ODA. The radiation exposures were made at various dose rates, for a total dose approximately equal to that for 30 years of exposure to electron radiation in geosynchronous earth orbit. At high dose rates the major effect was probably the formation of a polyisoimide or a charged quaternary amine, and at the low dose rates the effect was a reduction in the amount or aromatic ether linkage. In addition, the effects of dose rate for a small total dose were studied. Elevated temperatures occurred at high dose rates and were, in part, probably the cause of the radiation product. The data suggest that dose rates for accelerated simulations of the space environment should not exceed 100,000 rads/sec.

  4. Spectroscopic characterization of uranium in evaporation basin sediments

    Science.gov (United States)

    Duff, M. C.; Morris, D. E.; Hunter, D. B.; Bertsch, P. M.

    2000-05-01

    Evaporation ponds in the San Joaquin Valley (SJV), CA, used for the containment of irrigation drainage waters contain elevated levels of uranium (U) resulting from the extensive leaching by carbonate-rich irrigation waters of the local agricultural soils that contain low levels of naturally-occurring U. The SJV ponds are subjected to changes in redox chemistry with cycles of drying and flooding. Our past studies have shown that U in the SJV Pond 14 surface sediments is present as mostly the oxidized and soluble form, U(VI). However, we were uncertain whether the U in the soil was only present as a U oxide of mixed stoichiometry, such as U 3O 8(s) (pitchblende) or other species. Here we present characterization information, which includes wet chemical and in situ spectroscopic techniques (X-ray absorption near-edge structure (XANES) and low temperature time-resolved luminescence spectroscopies) for samples from two SJV Pond sediments. Surface sediments from SJV Pond 16 were characterized for average oxidation state of U with XANES spectroscopy. The fraction of U(VI) to U(IV) in the Pond 16 sediments decreased with depth with U(IV) being the dominant oxidation state in the 5 cm to 15 cm depth. Two luminescent U(VI) species were identified in the surface sediments from Pond 14; a U(VI)-tricarbonate phase and another phase likely comprised of U(VI)-hydroxide or hydroxycarbonate. The luminescent U(VI) population in the Pond 16 sediments is dominated by species with comparable spectral characteristics to the U(VI)-hydroxide or hydroxycarbonate species found in the Pond 14 sediments. The luminescence spectroscopic results were complemented by wet chemical U leaching methods, which involved the use of carbonate and sulfuric acid solutions and oxidizing solutions of peroxide, hypochlorite and Mn(IV). Leaching was shown to decrease the total U concentration in the sediments in all cases. However, results from luminescence studies of the residual fraction in the leached

  5. Spectroscopic, thermogravimetric and structural characterization analyses for comparing Municipal Solid Waste composts and vermicomposts stability and maturity.

    Science.gov (United States)

    Soobhany, Nuhaa; Gunasee, Sanjana; Rago, Yogeshwari Pooja; Joyram, Hashita; Raghoo, Pravesh; Mohee, Romeela; Garg, Vinod Kumar

    2017-07-01

    This is the first-ever study of its kind for an extensive assessment and comparison of maturity indexes between compost and vermicompost that have been derived from Municipal Solid Waste (MSW). The spectroscopic (Fourier transform infrared spectroscopy: FT-IR), thermogravimetric analysis (TG), differential scanning calorimetry (DSC) and structural characterization (scanning electron microscope: SEM) were recorded. FT-IR spectra showed an increase in conversion of polysaccharides species and aliphatic methylene groups in vermicompost compared to compost as depicted from the variation of the intensity of the peaks. TG curves of final vermicompost showed a much lower mass loss when compared to compost, indicating higher stability in feedstock. SEM micrographs of the vermicompost reflected strong fragmentation of material than composts which revealed the extent of intra-structural degradation of MSW. These findings elucidate on a clear comparison between composts and vermicomposts in terms of maturity indexes for soil enhancement and in agriculture as organic fertilizer. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Thermal and spectroscopic studies on solid ibuprofen complexes of lighter trivalent lanthanides

    Energy Technology Data Exchange (ETDEWEB)

    Gálico, D.A.; Holanda, B.B.C.; Guerra, R.B.; Legendre, A.O.; Rinaldo, D. [UNESP – Univ Estadual Paulista, Faculdade de Ciências, Departamento de Química, São Paulo CEP 17033-260 (Brazil); Treu-Filho, O. [UNESP – Univ Estadual Paulista, Instituto de Química, São Paulo CEP 14800-900 (Brazil); Bannach, G., E-mail: gilbert@fc.unesp.br [UNESP – Univ Estadual Paulista, Faculdade de Ciências, Departamento de Química, São Paulo CEP 17033-260 (Brazil)

    2014-01-10

    Highlights: • Lighter trivalent lanthanide complexes of ibuprofen have been synthesized. • The TG-FTIR allowed the identification of propane as the gas evolved during the thermal decomposition of the neodymium compound. • The thermal analysis provided information about the composition, dehydration, thermal behavior and thermal decomposition of the samples. • The theoretical and experimental spectroscopic studies suggest that the carboxylate group of ibuprofen is coordinated to the metals by a bidentate bond. - Abstract: Solid-state compounds of general formula Ln(L){sub 3}, in which L is ibuprofen and Ln stands for trivalent La, Ce, Pr, Nd, Sm and Eu, have been synthesized. Simultaneous thermogravimetry and differential thermal analysis (TG-DTA), X-ray powder diffractometry (DRX), complexometry, Fourier-transformed infrared spectroscopy (FTIR) and thermogravimetry coupled to Fourier-transformed infrared spectroscopy (TG-FTIR) were used to characterize these compounds. The results provided information concerning the chemical composition, dehydration, coordination modes of the ligands, crystallinity of the samples, thermal behavior and thermal decomposition of the compounds. The theoretical and experimental spectroscopic studies suggest that ibuprofen coordinates through the carboxylate group as a chelating ligand.

  7. Thermal and spectroscopic studies on solid ibuprofen complexes of lighter trivalent lanthanides

    International Nuclear Information System (INIS)

    Gálico, D.A.; Holanda, B.B.C.; Guerra, R.B.; Legendre, A.O.; Rinaldo, D.; Treu-Filho, O.; Bannach, G.

    2014-01-01

    Highlights: • Lighter trivalent lanthanide complexes of ibuprofen have been synthesized. • The TG-FTIR allowed the identification of propane as the gas evolved during the thermal decomposition of the neodymium compound. • The thermal analysis provided information about the composition, dehydration, thermal behavior and thermal decomposition of the samples. • The theoretical and experimental spectroscopic studies suggest that the carboxylate group of ibuprofen is coordinated to the metals by a bidentate bond. - Abstract: Solid-state compounds of general formula Ln(L) 3 , in which L is ibuprofen and Ln stands for trivalent La, Ce, Pr, Nd, Sm and Eu, have been synthesized. Simultaneous thermogravimetry and differential thermal analysis (TG-DTA), X-ray powder diffractometry (DRX), complexometry, Fourier-transformed infrared spectroscopy (FTIR) and thermogravimetry coupled to Fourier-transformed infrared spectroscopy (TG-FTIR) were used to characterize these compounds. The results provided information concerning the chemical composition, dehydration, coordination modes of the ligands, crystallinity of the samples, thermal behavior and thermal decomposition of the compounds. The theoretical and experimental spectroscopic studies suggest that ibuprofen coordinates through the carboxylate group as a chelating ligand

  8. Spectroscopic studies of 2-thenoyltrifluoro acetonate of uranyl salts doped with europium

    International Nuclear Information System (INIS)

    Nakagawa, F.T.; Luiz, J.E.M. de Sa; Felinto, M.C.F.C.; Brito, H.F.; Teotonio, E.E.S.

    2006-01-01

    Uranyl compounds present a great potential as luminescence materials. Some examples of applications are: in laser technology, cathode ray tube, X-rays diagnostic. In this work it was studied the synthesis, characterization and spectroscopic properties study of uranyl 2-thenoyl trifluoroacetonate and uranyl 2- thenoyl trifluoroacetonate doped with europium. The compounds were synthesized and characterized by infrared absorption spectroscopy, thermal analysis, scanning electronic microscopy, and electronic spectroscopy of emission and excitation. The Eu 3+ ion acted as an effective luminescent probe, however the process of energy transfer from UO 2 2+ to Eu 3+ ion has not been efficient. (author)

  9. Phase-dependent Photometric and Spectroscopic Characterization of the MASTER-Net Optical Transient J212444.87+321738.3: An Oxygen-rich Mira

    Science.gov (United States)

    Ghosh, Supriyo; Mondal, Soumen; Das, Ramkrishna; Banerjee, D. P. K.; Ashok, N. M.; Hambsch, Franz-Josef; Dutta, Somnath

    2018-05-01

    We describe the time-dependent properties of a new spectroscopically confirmed Mira variable, which was discovered in 2013 as MASTER-Net Optical Transient J212444.87+321738.3 toward the Cygnus constellation. We have performed long-term optical/near-infrared (NIR) photometric and spectroscopic observations to characterize the object. From the optical/NIR light curves, we estimate a variability period of 465 ± 30 days. The wavelength-dependent amplitudes of the observed light curves range from ΔI ∼ 4 mag to ΔK ∼ 1.5 mag. The (J ‑ K) color index varies from 1.78 to 2.62 mag over phases. Interestingly, a phase lag of ∼60 days between optical and NIR light curves is also seen, as in other Miras. Our optical/NIR spectra show molecular features of TiO, VO, CO, and strong water bands that are a typical signature of oxygen-rich Mira. We rule out S- or C-type as ZrO bands at 1.03 and 1.06 μm and C2 band at 1.77 μm are absent. We estimate the effective temperature of the object from the Spectral Energy Distribution, and distance and luminosity from standard Period–Luminosity relations. The optical/NIR spectra display time-dependent atomic and molecular features (e.g., TiO, Na I, Ca I, H2O, CO), as commonly observed in Miras. Such spectroscopic observations are useful for studying pulsation variability in Miras.

  10. AKARI NEAR-INFRARED SPECTROSCOPIC SURVEY FOR CO2 IN 18 COMETS

    International Nuclear Information System (INIS)

    Ootsubo, Takafumi; Kawakita, Hideyo; Hamada, Saki; Kobayashi, Hitomi; Yamaguchi, Mitsuru; Usui, Fumihiko; Nakagawa, Takao; Ueno, Munetaka; Ishiguro, Masateru; Sekiguchi, Tomohiko; Watanabe, Jun-ichi; Sakon, Itsuki; Shimonishi, Takashi; Onaka, Takashi

    2012-01-01

    We conducted a spectroscopic survey of cometary volatiles with the Infrared Camera on board the Japanese infrared satellite AKARI in the wavelength range from 2.5 to 5 μm. In our survey, 18 comets, including both the Oort cloud comets and the Jupiter-family comets, were observed in the period from 2008 June to 2010 January, most of which were observed at least twice. The prominent emission bands in the observed spectra are the fundamental vibrational bands of water (H 2 O) at 2.7 μm and carbon dioxide (CO 2 ) at 4.3 μm. The fundamental vibrational band of carbon monoxide (CO) around 4.7 μm and the broad emission feature, probably related to carbon-hydrogen-bearing molecules, can also be recognized around the 3.3-3.5-μm region in some of the comets. With respect to H 2 O, gas production rate ratios of CO 2 have been derived in 17 comets, except for the comet 29P/Schwassmann-Wachmann 1. Our data set provides the largest homogeneous database of CO 2 /H 2 O production rate ratios in comets obtained so far. The CO 2 /H 2 O production rate ratios are considered to reflect the composition of cometary ice when a comet is observed at a heliocentric distance within ∼2.5 AU, since H 2 O ice fully sublimates there. The CO 2 /H 2 O ratio in cometary ice spans from several to ∼30% among the comets observed at 2 in the comets seems to be smaller than unity based on our observations, although we only obtain upper limits for CO in most of the comets.

  11. Infrared and infrared emission spectroscopic study of typical Chinese kaolinite and halloysite.

    Science.gov (United States)

    Cheng, Hongfei; Frost, Ray L; Yang, Jing; Liu, Qinfu; He, Junkai

    2010-12-01

    The structure and thermal stability between typical Chinese kaolinite and halloysite were analysed by X-ray diffraction (XRD), infrared spectroscopy, infrared emission spectroscopy (IES) and Raman spectroscopy. Infrared emission spectroscopy over the temperature range of 300-700°C has been used to characterise the thermal decomposition of both kaolinite and halloysite. Halloysite is characterised by two bands in the water bending region at 1629 and 1648 cm(-1), attributed to structural water and coordinated water in the interlayer. Well defined hydroxyl stretching bands at around 3695, 3679, 3652 and 3625 cm(-1) are observed for both kaolinite and halloysite. The 550°C infrared emission spectrum of halloysite is similar to that of kaolinite in 650-1350 cm(-1) spectral region. The infrared emission spectra of halloysite were found to be considerably different to that of kaolinite at lower temperatures. These differences are attributed to the fundamental difference in the structure of the two minerals. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. The water vapour continuum in near-infrared windows - Current understanding and prospects for its inclusion in spectroscopic databases

    Science.gov (United States)

    Shine, Keith P.; Campargue, Alain; Mondelain, Didier; McPheat, Robert A.; Ptashnik, Igor V.; Weidmann, Damien

    2016-09-01

    Spectroscopic catalogues, such as GEISA and HITRAN, do not yet include information on the water vapour continuum that pervades visible, infrared and microwave spectral regions. This is partly because, in some spectral regions, there are rather few laboratory measurements in conditions close to those in the Earth's atmosphere; hence understanding of the characteristics of the continuum absorption is still emerging. This is particularly so in the near-infrared and visible, where there has been renewed interest and activity in recent years. In this paper we present a critical review focusing on recent laboratory measurements in two near-infrared window regions (centred on 4700 and 6300 cm-1) and include reference to the window centred on 2600 cm-1 where more measurements have been reported. The rather few available measurements, have used Fourier transform spectroscopy (FTS), cavity ring down spectroscopy, optical-feedback - cavity enhanced laser spectroscopy and, in very narrow regions, calorimetric interferometry. These systems have different advantages and disadvantages. Fourier Transform Spectroscopy can measure the continuum across both these and neighbouring windows; by contrast, the cavity laser techniques are limited to fewer wavenumbers, but have a much higher inherent sensitivity. The available results present a diverse view of the characteristics of continuum absorption, with differences in continuum strength exceeding a factor of 10 in the cores of these windows. In individual windows, the temperature dependence of the water vapour self-continuum differs significantly in the few sets of measurements that allow an analysis. The available data also indicate that the temperature dependence differs significantly between different near-infrared windows. These pioneering measurements provide an impetus for further measurements. Improvements and/or extensions in existing techniques would aid progress to a full characterisation of the continuum - as an example, we

  13. Characterization of the Elusive Conformers of Glycine from State-of-the-Art Structural, Thermodynamic, and Spectroscopic Computations: Theory Complements Experiment.

    Science.gov (United States)

    Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Puzzarini, Cristina

    2013-03-12

    A state-of-the-art computational strategy for the evaluation of accurate molecular structures as well as thermodynamic and spectroscopic properties along with the direct simulation of infrared (IR) and Raman spectra is established, validated (on the basis of the experimental data available for the Ip glycine conformer) and then used to provide a reliable and accurate characterization of the elusive IVn/gtt and IIIp/tct glycine conformers. The integrated theoretical model proposed is based on accurate post-Hartree-Fock computations (involving composite schemes) of energies, structures, properties, and harmonic force fields coupled to DFT corrections for the proper inclusion of vibrational effects at an anharmonic level (as provided by general second-order perturbative approach). It is shown that the approach presented here allows the evaluation of structural, thermodynamic, and spectroscopic properties with an overall accuracy of about, or better than, 0.001 Å, 20 MHz, 1 kJ·mol(-1), and 10 cm(-1) for bond distances, rotational constants, conformational enthalpies, and vibrational frequencies, respectively. The high accuracy of the computational results allows one to support and complement experimental studies, thus providing (i) an unequivocal identification of several conformers concomitantly present in the experimental mixture and (ii) data not available or difficult to experimentally derive.

  14. A Multiwavelength Study of Cygnus X-1: The First Mid-Infrared Spectroscopic Detection of Compact Jets

    Science.gov (United States)

    Rahoui, Farid; Lee, Julia C.; Heinz, Sebastian; Hines, Dean C.; Pottschmidt, Katja; Wilms, Joern

    2011-01-01

    We report on a Spitzer/IRS (mid-infrared), RXTE /PCA+HEXTE (X-ray), and Ryle (radio) simultaneous multi-wavelength study of the micro quasar Cygnus X-I, which aimed at an investigation of the origin of its mid-infrared emission. Compact jets were present in two out of three observations, and we show that they strongly contribute to the mid-infrared continuum. During the first observation, we detect the spectral break - where the transition from the optically thick to the optically thin regime takes place - at about 2.9 x 10(exp 13) Hz. We then show that the jet's optically thin synchrotron emission accounts for the Cygnus X-1's emission beyond 400 keY, although it cannot alone explain its 3-200 keV continuum. A compact jet was also present during the second observation, but we do not detect the break, since it has likely shifted to higher frequencies. In contrast, the compact jet was absent during the last observation, and we show that the 5-30 micron mid-infrared continuum of Cygnus X-I stems from the blue supergiant companion star HD 226868. Indeed, the emission can then be understood as the combination of the photospheric Raleigh-Jeans tail and the bremsstrahlung from the expanding stellar wind. Moreover, the stellar wind is found to be clumpy, with a filling factor f(sub infinity) approx.= 0.09-0.10. Its bremsstrahlung emission is likely anti-correlated to the soft X-ray emission, suggesting an anticorrelation between the mass-loss and mass-accretion rates. Nevertheless, we do not detect any mid-infrared spectroscopic evidence of interaction between the jets and the Cygnus X-1's environment and/or companion star's stellar wind.

  15. High-definition Fourier Transform Infrared (FT-IR) Spectroscopic Imaging of Human Tissue Sections towards Improving Pathology

    Science.gov (United States)

    Nguyen, Peter L.; Davidson, Bennett; Akkina, Sanjeev; Guzman, Grace; Setty, Suman; Kajdacsy-Balla, Andre; Walsh, Michael J.

    2015-01-01

    High-definition Fourier Transform Infrared (FT-IR) spectroscopic imaging is an emerging approach to obtain detailed images that have associated biochemical information. FT-IR imaging of tissue is based on the principle that different regions of the mid-infrared are absorbed by different chemical bonds (e.g., C=O, C-H, N-H) within cells or tissue that can then be related to the presence and composition of biomolecules (e.g., lipids, DNA, glycogen, protein, collagen). In an FT-IR image, every pixel within the image comprises an entire Infrared (IR) spectrum that can give information on the biochemical status of the cells that can then be exploited for cell-type or disease-type classification. In this paper, we show: how to obtain IR images from human tissues using an FT-IR system, how to modify existing instrumentation to allow for high-definition imaging capabilities, and how to visualize FT-IR images. We then present some applications of FT-IR for pathology using the liver and kidney as examples. FT-IR imaging holds exciting applications in providing a novel route to obtain biochemical information from cells and tissue in an entirely label-free non-perturbing route towards giving new insight into biomolecular changes as part of disease processes. Additionally, this biochemical information can potentially allow for objective and automated analysis of certain aspects of disease diagnosis. PMID:25650759

  16. Infrared Spectroscopic Study For Structural Investigation Of Lithium Lead Silicate Glasses

    International Nuclear Information System (INIS)

    Ahlawat, Navneet; Aghamkar, Praveen; Ahlawat, Neetu; Agarwal, Ashish; Monica

    2011-01-01

    Lithium lead silicate glasses with composition 30Li 2 O·(70-x)PbO·xSiO 2 (where, x = 10, 20, 30, 40, 50 mol %)(LPS glasses) were prepared by normal melt quench technique at 1373 K for half an hour in air to understand their structure. Compositional dependence of density, molar volume and glass transition temperature of these glasses indicates more compactness of the glass structure with increasing SiO 2 content. Fourier transform infrared (FTIR) spectroscopic data obtained for these glasses was used to investigate the changes induced in the local structure of samples as the ratio between PbO and SiO 2 content changes from 6.0 to 0.4. The observed absorption band around 450-510 cm -1 in IR spectra of these glasses indicates the presence of network forming PbO 4 tetrahedral units in glass structure. The increase in intensity with increasing SiO 2 content (upto x = 30 mol %) suggests superposition of Pb-O and Si-O bond vibrations in absorption band around 450-510 cm -1 . The values of optical basicity in these glasses were found to be dependent directly on PbO/SiO 2 ratio.

  17. INFRARED AND RAMAN SPECTROSCOPIC STUDY OF ION ...

    African Journals Online (AJOL)

    Infrared and Raman spectroscopy techniques have been used to study the ionic interactions of strontium(II) and barium(II) with thiocyanate ion in liquid ammonia. A number of bands were observed in both n (CN) and n (CS) regions of infrared and Raman spectra and these were assigned to 1:1 contact ion pair, ...

  18. Infrared-faint radio sources are at high redshifts. Spectroscopic redshift determination of infrared-faint radio sources using the Very Large Telescope

    Science.gov (United States)

    Herzog, A.; Middelberg, E.; Norris, R. P.; Sharp, R.; Spitler, L. R.; Parker, Q. A.

    2014-07-01

    Context. Infrared-faint radio sources (IFRS) are characterised by relatively high radio flux densities and associated faint or even absent infrared and optical counterparts. The resulting extremely high radio-to-infrared flux density ratios up to several thousands were previously known only for high-redshift radio galaxies (HzRGs), suggesting a link between the two classes of object. However, the optical and infrared faintness of IFRS makes their study difficult. Prior to this work, no redshift was known for any IFRS in the Australia Telescope Large Area Survey (ATLAS) fields which would help to put IFRS in the context of other classes of object, especially of HzRGs. Aims: This work aims at measuring the first redshifts of IFRS in the ATLAS fields. Furthermore, we test the hypothesis that IFRS are similar to HzRGs, that they are higher-redshift or dust-obscured versions of these massive galaxies. Methods: A sample of IFRS was spectroscopically observed using the Focal Reducer and Low Dispersion Spectrograph 2 (FORS2) at the Very Large Telescope (VLT). The data were calibrated based on the Image Reduction and Analysis Facility (IRAF) and redshifts extracted from the final spectra, where possible. This information was then used to calculate rest-frame luminosities, and to perform the first spectral energy distribution modelling of IFRS based on redshifts. Results: We found redshifts of 1.84, 2.13, and 2.76, for three IFRS, confirming the suggested high-redshift character of this class of object. These redshifts and the resulting luminosities show IFRS to be similar to HzRGs, supporting our hypothesis. We found further evidence that fainter IFRS are at even higher redshifts. Conclusions: Considering the similarities between IFRS and HzRGs substantiated in this work, the detection of IFRS, which have a significantly higher sky density than HzRGs, increases the number of active galactic nuclei in the early universe and adds to the problems of explaining the formation of

  19. Infrared spectroscopic and voltammetric study of adsorbed CO on stepped surfaces of copper monocrystalline electrodes

    International Nuclear Information System (INIS)

    Koga, O.; Teruya, S.; Matsuda, K.; Minami, M.; Hoshi, N.; Hori, Y.

    2005-01-01

    Voltammetric and infrared (IR) spectroscopic measurements were carried out to study adsorbed CO on two series of copper single crystal electrodes n(111)-(111) and n(111)-(100) in 0.1M KH 2 PO 4 +0.1M K 2 HPO 4 at 0 o C. Reversible voltammetric waves were observed below -0.55V versus SHE for adsorption of CO which displaces preadsorbed phosphate anions. The electric charge of the redox waves is proportional to the step atom density for both single crystal series. This fact indicates that phosphate anions are specifically adsorbed on the step sites below -0.55V versus SHE. Voltammetric measurements indicated that (111) terrace of Cu is covered with adsorbed CO below -0.5V versus SHE. Nevertheless, no IR absorption band of adsorbed CO is detected from (111) terrace. Presence of adsorbed CO on (111) terrace is presumed which is not visible by the potential difference spectroscopy used in the present work. IR spectroscopic measurements showed that CO is reversibly adsorbed with an on-top manner on copper single crystal electrodes of n(111)-(111) and n(111)-(100) with approximately same wavenumber of C?O stretching vibration of 2070cm -1 . The IR band intensity is proportional to the step atom density. Thus CO is adsorbed on (111) or (100) steps on the single crystal surfaces. An analysis of the IR band intensity suggested that one CO molecule is adsorbed on every two or more Cu step atom of the monocrystalline surface. The spectroscopic data were compared with those reported for uhv system. The C-O stretching wavenumber of adsorbed CO in the electrode-electrolyte system is 30-40cm -1 lower than those in uhv system

  20. In situ study of nitrobenzene grafting on Si(111)-H surfaces by infrared spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Rappich, J. [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Institut fuer Silizium-Photovoltaik, Kekulestr. 5, 12489 Berlin (Germany); Hinrichs, K. [ISAS - Institute for Analytical Sciences, Department Berlin, Albert-Einstein-Str. 9, 12489 Berlin (Germany)

    2009-12-15

    The binding of nitrobenzene (NB) molecules from a solution of 4-nitrobenzene-diazonium-tetrafluoroborate on a Si(111)-H surface was investigated during the electrochemical processing in diluted sulphuric acid by means of infrared spectroscopic ellipsometry (IR-SE). The grafting was monitored by an increase in specific IR absorption bands due to symmetric and anti-symmetric NO{sub 2} stretching vibrations in the 1400-1700 cm{sup -1} regime. The p- and s-polarized reflectances were recorded within 20 s for each spectrum only. NB molecules were detected when bonded to the Si(111) surface but not in the 2 mM solution itself. Oxide formation on the NB grafted Si surface was observed after drying in inert atmosphere and not during the grafting process in the aqueous solution. (author)

  1. Recent Developments in Solid-Phase Extraction for Near and Attenuated Total Reflection Infrared Spectroscopic Analysis

    Directory of Open Access Journals (Sweden)

    Christian W. Huck

    2016-05-01

    Full Text Available A review with more than 100 references on the principles and recent developments in the solid-phase extraction (SPE prior and for in situ near and attenuated total reflection (ATR infrared spectroscopic analysis is presented. New materials, chromatographic modalities, experimental setups and configurations are described. Their advantages for fast sample preparation for distinct classes of compounds containing different functional groups in order to enhance selectivity and sensitivity are discussed and compared. This is the first review highlighting both the fundamentals of SPE, near and ATR spectroscopy with a view to real sample applicability and routine analysis. Most of real sample analyses examples are found in environmental research, followed by food- and bioanalysis. In this contribution a comprehensive overview of the most potent SPE-NIR and SPE-ATR approaches is summarized and provided.

  2. A deep near-infrared spectroscopic survey of the Scutum-Crux arm for Wolf-Rayet stars

    Science.gov (United States)

    Rosslowe, C. K.; Crowther, Paul A.

    2018-01-01

    We present a New Technology Telescope/Son-of-Isaac spectroscopic survey of infrared selected Wolf-Rayet (WR) candidates in the Scutum-Crux spiral arm (298° ≤ l ≤ 340°, |b| ≤ 0.5°. We obtained near-IR spectra of 127 candidates, revealing 17 WR stars - a ∼13 per cent success rate - of which 16 are newly identified here. The majority of the new WR stars are classified as narrow-lined WN5-7 stars, with two broad-lined WN4-6 stars and three WC6-8 stars. The new stars, with distances estimated from previous absolute magnitude calibrations, have no obvious association with the Scutum-Crux arm. Refined near-infrared (YHJK) classification criteria based on over a hundred Galactic and Magellanic Cloud WR stars, providing diagnostics for hydrogen in WN stars, plus the identification of WO stars and intermediate WN/C stars. Finally, we find that only a quarter of WR stars in the survey region are associated with star clusters and/or H II regions, with similar statistics found for luminous blue variables (LBVs) in the Milky Way. The relative isolation of evolved massive stars is discussed, together with the significance of the co-location of LBVs and WR stars in young star clusters.

  3. Infrared spectroscopy by use of synchrotron radiation

    International Nuclear Information System (INIS)

    Nanba, Takao

    1991-01-01

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

  4. Spectroscopic characterization of alkaline earth uranyl carbonates

    International Nuclear Information System (INIS)

    Amayri, Samer; Reich, Tobias; Arnold, Thuro; Geipel, Gerhard; Bernhard, Gert

    2005-01-01

    A series of alkaline uranyl carbonates, M[UO 2 (CO 3 ) 3 ].nH 2 O (M=Mg 2 , Ca 2 , Sr 2 , Ba 2 , Na 2 Ca, and CaMg) was synthesized and characterized by inductively coupled plasma mass spectrometry (ICP-MS) and atomic absorption spectrometry (AAS) after nitric acid digestion, X-ray powder diffraction (XRD), and thermal analysis (TGA/DTA). The molecular structure of these compounds was characterized by extended X-ray absorption fine-structure (EXAFS) spectroscopy and X-ray photoelectron spectroscopy (XPS). Crystalline Ba 2 [UO 2 (CO 3 ) 3 ].6H 2 O was obtained for the first time. The EXAFS analysis showed that this compound consists of (UO 2 )(CO 3 ) 3 clusters similar to the other alkaline earth uranyl carbonates. The average U-Ba distance is 3.90+/-0.02A.Fluorescence wavelengths and life times were measured using time-resolved laser-induced fluorescence spectroscopy (TRLFS). The U-O bond distances determined by EXAFS, TRLFS, XPS, and Raman spectroscopy agree within the experimental uncertainties. The spectroscopic signatures observed could be useful for identifying uranyl carbonate species adsorbed on mineral surfaces

  5. Accurate spectroscopic characterization of protonated oxirane: a potential prebiotic species in Titan's atmosphere

    International Nuclear Information System (INIS)

    Giacomo Ciamician, Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy))" data-affiliation=" (Dipartimento di Chimica Giacomo Ciamician, Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy))" >Puzzarini, Cristina; Ali, Ashraf; Biczysko, Malgorzata; Barone, Vincenzo

    2014-01-01

    An accurate spectroscopic characterization of protonated oxirane has been carried out by means of state-of-the-art computational methods and approaches. The calculated spectroscopic parameters from our recent computational investigation of oxirane together with the corresponding experimental data available were used to assess the accuracy of our predicted rotational and IR spectra of protonated oxirane. We found an accuracy of about 10 cm –1 for vibrational transitions (fundamentals as well as overtones and combination bands) and, in relative terms, of 0.1% for rotational transitions. We are therefore confident that the spectroscopic data provided herein are a valuable support for the detection of protonated oxirane not only in Titan's atmosphere but also in the interstellar medium.

  6. Accurate spectroscopic characterization of protonated oxirane: a potential prebiotic species in Titan's atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Puzzarini, Cristina [Dipartimento di Chimica " Giacomo Ciamician," Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy); Ali, Ashraf [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Biczysko, Malgorzata; Barone, Vincenzo, E-mail: cristina.puzzarini@unibo.it [Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa (Italy)

    2014-09-10

    An accurate spectroscopic characterization of protonated oxirane has been carried out by means of state-of-the-art computational methods and approaches. The calculated spectroscopic parameters from our recent computational investigation of oxirane together with the corresponding experimental data available were used to assess the accuracy of our predicted rotational and IR spectra of protonated oxirane. We found an accuracy of about 10 cm{sup –1} for vibrational transitions (fundamentals as well as overtones and combination bands) and, in relative terms, of 0.1% for rotational transitions. We are therefore confident that the spectroscopic data provided herein are a valuable support for the detection of protonated oxirane not only in Titan's atmosphere but also in the interstellar medium.

  7. Synthesis, spectroscopic characterization, crystallographic studies and antibacterial assays of new copper(II) complexes with sulfathiazole and nimesulide

    Science.gov (United States)

    Nunes, Julia Helena Bormio; de Paiva, Raphael Enoque Ferraz; Cuin, Alexandre; da Costa Ferreira, Ana Maria; Lustri, Wilton Rogério; Corbi, Pedro Paulo

    2016-05-01

    New ternary copper(II) complexes of sulfathiazole (SFT, C9H8N3O2S2) or nimesulide (NMS, C13H11N2O5S) and 2,2‧-bipyridine (bipy) were synthesized, and characterized by chemical and spectroscopic techniques. Elemental analyses indicated a 2:1:1 sulfonamide/copper/bipy composition for both complexes. Mass spectrometric measurements permitted identifying the molecular ions [Cu(SFT)2(bipy)+H]+ and [Cu(NMS)2(bipy)+H]+ at m/z 728 and 835, respectively, confirming the proposed compositions. Crystal structure of the [Cu(SFT)2(bipy)] complex was solved by powder X-ray diffraction analysis (PXRD), attesting that the Cu(II) ion is hexacoordinated in a distorted octahedral geometry. Each SFT molecule coordinates to the metal ion by the nitrogen atoms of the SO2-N group and of the heterocyclic ring. The coordination sphere is completed by a bipyridine. Electronic paramagnetic resonance (EPR) studies were carried out for the [Cu(NMS)2(bipy)] complex, indicating a tetragonal environment around the metal ion. It was suggested that NMS coordinates to Cu(II) by the nitrogen and oxygen atoms of the SO2-N group, which was confirmed by infrared spectroscopic studies. Biological studies showed the antibacterial activity of both Cu-SFT and Cu-NMS complexes, with the minimum inhibitory concentration (MIC) values ranging from 0.10 to 0.84 mmol L-1 against Gram-negative bacteria for [Cu(SFT)2(bipy)], and from 1.50 to 3.00 mmol L-1 against Gram-positive and -negative bacteria for [Cu(NMS)2(bipy)].

  8. A detailed spectroscopic study of an Italian fresco

    International Nuclear Information System (INIS)

    Barilaro, Donatella; Crupi, Vincenza; Majolino, Domenico; Barone, Germana; Ponterio, Rosina

    2005-01-01

    In the present work we characterized samples of plasters and pictorial layers taken from a fresco in the Acireale Cathedral. The fresco represents the Coronation of Saint Venera, patron saint of this Ionian town. By performing a detailed spectroscopic analysis of the plaster preparation layer by Fourier-transform infrared (FTIR) spectroscopy and x-ray diffraction (XRD), and of the painting layer by FTIR and confocal Raman microspectroscopy, scanning electron microscopy+energy dispersive x-ray spectroscopy, and XRD, we were able to identify the pigments and the binders present. In particular, Raman investigation was crucial to the characterization of the pigments thanks to the high resolution of the confocal apparatus used. It is worth stressing that the simultaneous use of complementary techniques was able to provide more complete information for the conservation of the artifact we studied

  9. 2.2.1. Synthesis, spectroscopic characterization and crystal structure of [ReV(O2(pyz4][ReII(NOBr4(pyz] (pyz = pyrazine

    Directory of Open Access Journals (Sweden)

    Mario Pacheco, Alicia Cuevas, Javier González-Platas, Carlos Kremer*

    2015-03-01

    Full Text Available Abstract: A novel Re(V-Re(II nitrosyl complex, [Re(O2(pyz 4][Re(NOBr4(pyz] (pyz = pyrazine was prepared and characterized by X-ray diffraction, elemental analysis, infrared and ultraviolet-visible absorption spectra. This product is obtained in the initial steps of the reaction of (NBu4[Re(NOBr4(EtOH] with pyrazine. Both, the cation and the anion are mononuclear complexes. The Re(V atom in the cation is six-coordinate with four nitrogen atoms from pyrazine ligands, and two oxo ligands. The Re(II anion is also six-coordinate, with four bromide ligands, a linear nitrosyl group and one nitrogen from pyrazine. The spectroscopic studies are discussed and compared with those already reported separately for the cation and the anion. Supporting information: X-Ray (CIF file

  10. Practical protocols for fast histopathology by Fourier transform infrared spectroscopic imaging

    Science.gov (United States)

    Keith, Frances N.; Reddy, Rohith K.; Bhargava, Rohit

    2008-02-01

    Fourier transform infrared (FT-IR) spectroscopic imaging is an emerging technique that combines the molecular selectivity of spectroscopy with the spatial specificity of optical microscopy. We demonstrate a new concept in obtaining high fidelity data using commercial array detectors coupled to a microscope and Michelson interferometer. Next, we apply the developed technique to rapidly provide automated histopathologic information for breast cancer. Traditionally, disease diagnoses are based on optical examinations of stained tissue and involve a skilled recognition of morphological patterns of specific cell types (histopathology). Consequently, histopathologic determinations are a time consuming, subjective process with innate intra- and inter-operator variability. Utilizing endogenous molecular contrast inherent in vibrational spectra, specially designed tissue microarrays and pattern recognition of specific biochemical features, we report an integrated algorithm for automated classifications. The developed protocol is objective, statistically significant and, being compatible with current tissue processing procedures, holds potential for routine clinical diagnoses. We first demonstrate that the classification of tissue type (histology) can be accomplished in a manner that is robust and rigorous. Since data quality and classifier performance are linked, we quantify the relationship through our analysis model. Last, we demonstrate the application of the minimum noise fraction (MNF) transform to improve tissue segmentation.

  11. Continuous statistical modelling for rapid detection of adulteration of extra virgin olive oil using mid infrared and Raman spectroscopic data.

    Science.gov (United States)

    Georgouli, Konstantia; Martinez Del Rincon, Jesus; Koidis, Anastasios

    2017-02-15

    The main objective of this work was to develop a novel dimensionality reduction technique as a part of an integrated pattern recognition solution capable of identifying adulterants such as hazelnut oil in extra virgin olive oil at low percentages based on spectroscopic chemical fingerprints. A novel Continuous Locality Preserving Projections (CLPP) technique is proposed which allows the modelling of the continuous nature of the produced in-house admixtures as data series instead of discrete points. The maintenance of the continuous structure of the data manifold enables the better visualisation of this examined classification problem and facilitates the more accurate utilisation of the manifold for detecting the adulterants. The performance of the proposed technique is validated with two different spectroscopic techniques (Raman and Fourier transform infrared, FT-IR). In all cases studied, CLPP accompanied by k-Nearest Neighbors (kNN) algorithm was found to outperform any other state-of-the-art pattern recognition techniques. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Progress Towards a High-Precision Infrared Spectroscopic Survey of the H_3^+ Ion

    Science.gov (United States)

    Perry, Adam J.; Hodges, James N.; Markus, Charles R.; Kocheril, G. Stephen; Jenkins, Paul A., II; McCall, Benjamin J.

    2015-06-01

    The trihydrogen cation, H_3^+, represents one of the most important and fundamental molecular systems. Having only two electrons and three nuclei, H_3^+ is the simplest polyatomic system and is a key testing ground for the development of new techniques for calculating potential energy surfaces and predicting molecular spectra. Corrections that go beyond the Born-Oppenheimer approximation, including adiabatic, non-adiabatic, relativistic, and quantum electrodynamic corrections are becoming more feasible to calculate. As a result, experimental measurements performed on the H_3^+ ion serve as important benchmarks which are used to test the predictive power of new computational methods. By measuring many infrared transitions with precision at the sub-MHz level it is possible to construct a list of the most highly precise experimental rovibrational energy levels for this molecule. Until recently, only a select handful of infrared transitions of this molecule have been measured with high precision (˜ 1 MHz). Using the technique of Noise Immune Cavity Enhanced Optical Heterodyne Velocity Modulation Spectroscopy, we are aiming to produce the largest high-precision spectroscopic dataset for this molecule to date. Presented here are the current results from our survey along with a discussion of the combination differences analysis used to extract the experimentally determined rovibrational energy levels. O. Polyansky, et al., Phil. Trans. R. Soc. A (2012), 370, 5014. M. Pavanello, et al., J. Chem. Phys. (2012), 136, 184303. L. Diniz, et al., Phys. Rev. A (2013), 88, 032506. L. Lodi, et al., Phys. Rev. A (2014), 89, 032505. J. Hodges, et al., J. Chem. Phys (2013), 139, 164201.

  13. Near-Infrared Spectroscopic Study of Chlorite Minerals

    OpenAIRE

    Min Yang; Meifang Ye; Haihui Han; Guangli Ren; Ling Han; Zhuan Zhang

    2018-01-01

    The mineral chemistry of twenty chlorite samples from the United States Geological Survey (USGS) spectral library and two other regions, having a wide range of Fe and Mg contents and relatively constant Al and Si contents, was studied via infrared (IR) spectroscopy, near-infrared (NIR) spectroscopy, and X-ray fluorescence (XRF) analysis. Five absorption features of the twenty samples near 4525, 4440, 4361, 4270, and 4182 cm−1 were observed, and two diagnostic features at 4440 and 4280 cm−1 we...

  14. 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

  15. Near-infrared spectroscopic tissue imaging for medical applications

    Science.gov (United States)

    Demos, Stavros [Livermore, CA; Staggs, Michael C [Tracy, CA

    2006-12-12

    Near infrared imaging using elastic light scattering and tissue autofluorescence are explored for medical applications. The approach involves imaging using cross-polarized elastic light scattering and tissue autofluorescence in the Near Infra-Red (NIR) coupled with image processing and inter-image operations to differentiate human tissue components.

  16. Imaging open-path Fourier transform infrared spectrometer for 3D cloud profiling

    Science.gov (United States)

    Rentz Dupuis, Julia; Mansur, David J.; Vaillancourt, Robert; Carlson, David; Evans, Thomas; Schundler, Elizabeth; Todd, Lori; Mottus, Kathleen

    2010-04-01

    OPTRA has developed an imaging open-path Fourier transform infrared (I-OP-FTIR) spectrometer for 3D profiling of chemical and biological agent simulant plumes released into test ranges and chambers. An array of I-OP-FTIR instruments positioned around the perimeter of the test site, in concert with advanced spectroscopic algorithms, enables real time tomographic reconstruction of the plume. The approach is intended as a referee measurement for test ranges and chambers. This Small Business Technology Transfer (STTR) effort combines the instrumentation and spectroscopic capabilities of OPTRA, Inc. with the computed tomographic expertise of the University of North Carolina, Chapel Hill. In this paper, we summarize the design and build and detail system characterization and test of a prototype I-OP-FTIR instrument. System characterization includes radiometric performance and spectral resolution. Results from a series of tomographic reconstructions of sulfur hexafluoride plumes in a laboratory setting are also presented.

  17. AKARI NEAR-INFRARED SPECTROSCOPIC SURVEY FOR CO{sub 2} IN 18 COMETS

    Energy Technology Data Exchange (ETDEWEB)

    Ootsubo, Takafumi [Astronomical Institute, Graduate School of Science, Tohoku University, Aramaki, Aoba-ku, Sendai 980-8578 (Japan); Kawakita, Hideyo; Hamada, Saki; Kobayashi, Hitomi; Yamaguchi, Mitsuru [Koyama Astronomical Observatory, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-Ku, Kyoto 603-8555 (Japan); Usui, Fumihiko; Nakagawa, Takao; Ueno, Munetaka [Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency, 3-1-1 Yoshinodai, Chuo-ku, Sagamihara, Kanagawa 252-5210 (Japan); Ishiguro, Masateru [Department of Physics and Astronomy, Seoul National University, 599 Gwanak-ro, Gwanak-gu, Seoul 151-742 (Korea, Republic of); Sekiguchi, Tomohiko [Department of Teacher Training, Hokkaido University of Education, Asahikawa Campus, Hokumon 9, Asahikawa, Hokkaido 070-8621 (Japan); Watanabe, Jun-ichi [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Sakon, Itsuki; Shimonishi, Takashi; Onaka, Takashi, E-mail: ootsubo@astr.tohoku.ac.jp [Department of Astronomy, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

    2012-06-10

    We conducted a spectroscopic survey of cometary volatiles with the Infrared Camera on board the Japanese infrared satellite AKARI in the wavelength range from 2.5 to 5 {mu}m. In our survey, 18 comets, including both the Oort cloud comets and the Jupiter-family comets, were observed in the period from 2008 June to 2010 January, most of which were observed at least twice. The prominent emission bands in the observed spectra are the fundamental vibrational bands of water (H{sub 2}O) at 2.7 {mu}m and carbon dioxide (CO{sub 2}) at 4.3 {mu}m. The fundamental vibrational band of carbon monoxide (CO) around 4.7 {mu}m and the broad emission feature, probably related to carbon-hydrogen-bearing molecules, can also be recognized around the 3.3-3.5-{mu}m region in some of the comets. With respect to H{sub 2}O, gas production rate ratios of CO{sub 2} have been derived in 17 comets, except for the comet 29P/Schwassmann-Wachmann 1. Our data set provides the largest homogeneous database of CO{sub 2}/H{sub 2}O production rate ratios in comets obtained so far. The CO{sub 2}/H{sub 2}O production rate ratios are considered to reflect the composition of cometary ice when a comet is observed at a heliocentric distance within {approx}2.5 AU, since H{sub 2}O ice fully sublimates there. The CO{sub 2}/H{sub 2}O ratio in cometary ice spans from several to {approx}30% among the comets observed at <2.5 AU (13 out of the 17 comets). Alternatively, the ratio of CO/CO{sub 2} in the comets seems to be smaller than unity based on our observations, although we only obtain upper limits for CO in most of the comets.

  18. Fourier transform infrared spectroscopic estimation of crystallinity in ...

    Indian Academy of Sciences (India)

    Wintec

    The crystallinity parameter is calculated by using a standard procedure which can be used to estimate the distribution of quartz in various rocks for mining purpose. The infrared ... The X-ray diffraction full ... crystallinity and trace mineral components of rocks (Partha- ... infrared techniques (Rice et al 1995). ... The absorption.

  19. Nuclear resonance vibrational spectroscopic studies of iron-containing biomolecules

    International Nuclear Information System (INIS)

    Ohta, Takehiro; Seto, Makoto

    2014-01-01

    In this review, we report recent nuclear resonance vibrational spectroscopic (NRVS) studies of iron-containing biomolecules and their model complexes. The NRVS is synchrotron-based element-specific vibrational spectroscopic methods. Unlike Raman and infrared spectroscopy, the NRVS can investigate all iron motions without selection rules, which provide atomic level insights into the structure/reactivity correlation of biologically relevant iron complexes. (author)

  20. Spectroscopic and photoacoustic characterization of encapsulated iron oxide super-paramagnetic nanoparticles as a new multiplatform contrast agent

    Science.gov (United States)

    Armanetti, Paolo; Flori, Alessandra; Avigo, Cinzia; Conti, Luca; Valtancoli, Barbara; Petroni, Debora; Doumett, Saer; Cappiello, Laura; Ravagli, Costanza; Baldi, Giovanni; Bencini, Andrea; Menichetti, Luca

    2018-06-01

    Recently, a number of photoacoustic (PA) agents with increased tissue penetration and fine spatial resolution have been developed for molecular imaging and mapping of pathophysiological features at the molecular level. Here, we present bio-conjugated near-infrared light-absorbing magnetic nanoparticles as a new agent for PA imaging. These nanoparticles exhibit suitable absorption in the near-infrared region, with good photoacoustic signal generation efficiency and high photo-stability. Furthermore, these encapsulated iron oxide nanoparticles exhibit strong super-paramagnetic behavior and nuclear relaxivities that make them useful as magnetic resonance imaging (MRI) contrast media as well. Their simple bio-conjugation strategy, optical and chemical stability, and straightforward manipulation could enable the development of a PA probe with magnetic and spectroscopic properties suitable for in vitro and in vivo real-time imaging of relevant biological targets.

  1. Pharmaceutical properties of two ethenzamide-gentisic acid cocrystal polymorphs: Drug release profiles, spectroscopic studies and theoretical calculations.

    Science.gov (United States)

    Sokal, Agnieszka; Pindelska, Edyta; Szeleszczuk, Lukasz; Kolodziejski, Waclaw

    2017-04-30

    The aim of this study was to evaluate the stability and solubility of the polymorphic forms of the ethenzamide (ET) - gentisic acid (GA) cocrystals during standard technological processes leading to tablet formation, such as compression and excipient addition. In this work two polymorphic forms of pharmaceutical cocrystals (ETGA) were characterized by 13 C and 15 N solid-state nuclear magnetic resonance and Fourier transformed infrared spectroscopy. Spectroscopic studies were supported by gauge including projector augmented wave (GIPAW) calculations of chemical shielding constants.Polymorphs of cocrystals were easily identified and characterized on the basis of solid-state spectroscopic studies. ETGA cocrystals behaviour during direct compressionand tabletting with excipient addition were tested. In order to choose the best tablet composition with suitable properties for the pharmaceutical industry dissolution profile studies of tablets containing polymorphic forms of cocrystals with selected excipients were carried out. Copyright © 2017. Published by Elsevier B.V.

  2. Application of second derivative spectroscopy for increasing molecular specificity of Fourier transform infrared spectroscopic imaging of articular cartilage.

    Science.gov (United States)

    Rieppo, L; Saarakkala, S; Närhi, T; Helminen, H J; Jurvelin, J S; Rieppo, J

    2012-05-01

    Fourier transform infrared (FT-IR) spectroscopic imaging is a promising method that enables the analysis of spatial distribution of biochemical components within histological sections. However, analysis of FT-IR spectroscopic data is complicated since absorption peaks often overlap with each other. Second derivative spectroscopy is a technique which enhances the separation of overlapping peaks. The objective of this study was to evaluate the specificity of the second derivative peaks for the main tissue components of articular cartilage (AC), i.e., collagen and proteoglycans (PGs). Histological bovine AC sections were measured before and after enzymatic removal of PGs. Both formalin-fixed sections (n = 10) and cryosections (n = 6) were investigated. Relative changes in the second derivative peak heights caused by the removal of PGs were calculated for both sample groups. The results showed that numerous peaks, e.g., peaks located at 1202 cm(-1) and 1336 cm(-1), altered less than 5% in the experiment. These peaks were assumed to be specific for collagen. In contrast, two peaks located at 1064 cm(-1) and 1376 cm(-1) were seen to alter notably, approximately 50% or more. These peaks were regarded to be specific for PGs. The changes were greater in cryosections than formalin-fixed sections. The results of this study suggest that the second derivative spectroscopy offers a practical and more specific method than routinely used absorption spectrum analysis methods to obtain compositional information on AC with FT-IR spectroscopic imaging. Copyright © 2012 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

  3. Infrared Spectroscopic and Theoretical Study of the HC_nO^+(N=5-12) Cations

    Science.gov (United States)

    Li, Wei; Jin, Jiaye; Wang, Guanjun; Zhou, Mingfei

    2017-06-01

    Carbon chains and derivatives are highly active species, which are widely existed as reactive intermediates in many chemical processes including atmospheric chemistry, hydrocarbon combustion, as well as interstellar chemistry. The carbon chain cations, HC_nO^+ (n = 5-12) are produced via pulsed laser vaporization of a graphite target in supersonic expansions containing carbon monoxide and hydrogen. The infrared spectra are measured via mass-selected infrared photodissociation spectroscopy of the CO "tagged" [HC_nO.CO] cation complexes in the 1600-3500 \\wn region. The geometries and electronic ground states of these cation complexes are determined by their infrared spectra in conjunction with theoretical calculations. All the HC_nO^+ (n = 5-12) core cations are characterized to be linear carbon chain derivatives terminated by hydrogen and oxygen. The HC_nO^+ cations with odd n have closed-shell singlet ground states with polyyne-like structures, while those with even n have triplet ground states with allene-like structures.

  4. Infrared and Raman spectroscopic characterizations on new Fe sulphoarsenate hilarionite (Fe2(III)(SO4)(AsO4)(OH)·6H2O): Implications for arsenic mineralogy in supergene environment of mine area

    Science.gov (United States)

    Liu, Jing; He, LiLe; Dong, Faqin; Frost, Ray L.

    2017-01-01

    Hilarionite (Fe2 (SO4)(AsO4)(OH)·6H2O) is a new Fe sulphoarsenates mineral, which recently is found in the famous Lavrion ore district, Atliki Prefecture, Greece. The spectroscopic study of hilarionite enriches the data of arsenic mineralogy in supergene environment of a mine area. The infrared and Raman means are used to characterize the molecular structure of this mineral. The IR bands at 875 and 905 cm- 1 are assigned to the antisymmetric stretching vibrations of AsO43 -. The IR bands at 1021, 1086 and 1136 cm- 1 correspond to the possible antisymmetric and symmetric stretching vibrations of SO42 -. The Raman bands at 807, 843 and 875 cm- 1 clearly show that arsenate components in the mineral structure, which are assigned to the symmetric stretching vibrations (ν1) of AsO43 - (807 and 843 cm- 1) and the antisymmetric vibration (ν3) (875 cm- 1). IR bands provide more sulfate information than Raman, which can be used as the basis to distinguish hilarionite from kaňkite. The powder XRD data shows that hilarionite has obvious differences with the mineral structure of kaňkite. The thermoanalysis and SEM-EDX results show that hilarionite has more sulfate than arsenate.

  5. The DENIS & 2MASS Near Infrared Surveys

    OpenAIRE

    Mamon, Gary

    1996-01-01

    The DENIS and 2MASS near infrared surveys are presented. Their applications in extragalactic astronomy and cosmology are listed. The prospects for a rapid spectroscopic followup survey of a near infrared selected sample of nearly $10^5$ galaxies are illustrated with Monte-Carlo simulations.

  6. Absorption and emission spectroscopic characterization of 10-phenyl-isoalloxazine derivatives

    International Nuclear Information System (INIS)

    Shirdel, J.; Penzkofer, A.; Prochazka, R.; Daub, J.; Hochmuth, E.; Deutzmann, R.

    2006-01-01

    The flavoquinone dyes 10-phenyl-isoalloxazine-3-acetic acid ethyl ester (1) and 10-(4-bromo-phenyl)-3-methyl-isoalloxazine (2) in dichloromethane, acetonitrile, and methanol are characterized by absorption and emission spectroscopy. Absorption cross-section spectra, stimulated emission cross-section spectra, fluorescence quantum distributions, quantum yields, lifetimes, and degrees of fluorescence polarization are determined. The blue-light photo-degradation of the dyes is studied. Mass spectroscopic measurements reveal the formation of phenyl-benzo-pteridine (isoalloxazine) derivatives, tetraaza-benzo-aceanthrylene derivatives, dihydro-quinooxaline derivatives, and pyrazino-carbazole derivatives. An enhancement of photo-degradation is observed by the formed photo-fragments

  7. Infrared spectroscopic and theoretical study of the HC2n+1O+ (n = 2-5) cations

    Science.gov (United States)

    Jin, Jiaye; Li, Wei; Liu, Yuhong; Wang, Guanjun; Zhou, Mingfei

    2017-06-01

    The carbon chain cations, HC2n+1O+ (n = 2-5), are produced via pulsed laser vaporization of a graphite target in supersonic expansions containing carbon monoxide and hydrogen. The infrared spectra are measured via mass-selected infrared photodissociation spectroscopy of the CO "tagged" [HC2n+1O.CO]+ cation complexes in the 1600-3500 cm-1 region. The geometries and electronic ground states of these cation complexes are determined by their infrared spectra compared to the predications of theoretical calculations. All of the HC2n+1O+ (n = 2-5) core cations are characterized to be linear carbon chain derivatives terminated by hydrogen and oxygen, which have the closed-shell singlet ground states with polyyne-like carbon chain structures.

  8. Infrared Fourier spectres of pectin obtained from pumpkin

    International Nuclear Information System (INIS)

    Usmanova, S.R.; Dzhonmurodov, A.S.; Nazirova, Kh.I.; Mukhidinov, Z.K.

    2015-01-01

    Present article is devoted to infrared Fourier spectres of pectin obtained from pumpkin. The analysis of pectin obtained from pumpkin was conducted by means of infrared spectrophotometer with Fourier transformation. The infrared spectroscopic study of pectin polysaccharide fraction of pectin matter, as well as pectin helium and micro helium obtained by means of fast extraction was conducted.

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

    Energy Technology Data Exchange (ETDEWEB)

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

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

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

    International Nuclear Information System (INIS)

    Groenewald, C.A.

    1984-01-01

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

  11. EPR, UV-Visible, and Near-Infrared Spectroscopic Characterization of Dolomite

    Directory of Open Access Journals (Sweden)

    S. Lakshmi Reddy

    2008-01-01

    Full Text Available Dolomite mineral samples having white and light green colors of Indian origin have been characterized by EPR, optical, and NIR spectroscopy. The optical spectrum exhibits a number of electronic bands due to presence of Fe(III ions in the mineral. From EPR studies, the parameters of g for Fe(III and g,A, and D for Mn(II are evaluated and the data confirm that the ions are in distorted octahedron. Optical absorption studies reveal that Fe(III is in distorted octahedron. The bands in NIR spectra are due to the overtones and combinations of water molecules. Thus EPR and optical absorption spectral studies have proven useful for the study of the solid state chemistry of dolomite.

  12. Insights on diagnosis of oral cavity pathologies by infrared spectroscopy: A review

    Science.gov (United States)

    Giorgini, Elisabetta; Balercia, Paolo; Conti, Carla; Ferraris, Paolo; Sabbatini, Simona; Rubini, Corrado; Tosi, Giorgio

    2013-11-01

    Fourier-Transform Infrared microspectroscopy, a largely used spectroscopic technique in basic and industrial researches, offers the possibility to analyze the vibrational features of molecular groups within a variety of environments. In the bioclinical field, and, in particular, in the study of cells, tissues and biofluids, it could be considered a supporting objective technique able to characterize the biochemical processes involved in relevant pathologies, such as tumoral diseases, highlighting specific spectral markers associable with the principal biocomponents (proteins, lipids and carbohydrates). In this article, we review the applications of infrared spectroscopy to the study of tumoral diseases of oral cavity compartments with the aim to improve understanding of biological processes involved during the onset of these lesions and to afford to an early diagnosis. Spectral studies on mouth, salivary glands and oral cystic lesions, objectively discriminate normal from dysplastic and cancer states characterizing also the grading.

  13. Multi-spectroscopic characterization of bovine serum albumin upon interaction with atomoxetine

    Directory of Open Access Journals (Sweden)

    Arunkumar T. Buddanavar

    2017-06-01

    Full Text Available The quenching interaction of atomoxetine (ATX with bovine serum albumin (BSA was studied in vitro under optimal physiological condition (pH=7.4 by multi-spectroscopic techniques. The mechanism of ATX-BSA system was a dynamic quenching process and was confirmed by the fluorescence spectra and lifetime measurements. The number of binding sites, binding constants and other binding characteristics were computed. Thermodynamic parameters ∆H° and ∆S° indicated that intermolecular hydrophobic forces predominantly stabilized the drug-protein system. The average binding distance between BSA and ATX was studied by Försters theory. UV-absorption, Fourier transform infrared spectroscopy (FT-IR, circular dichroism (CD, synchronous spectra and three-dimensional (3D fluorescence spectral results revealed the changes in micro-environment of secondary structure of protein upon the interaction with ATX. Displacement of site probes and the effects of some common metal ions on the binding of ATX with BSA interaction were also studied.

  14. Fourier Transform Infrared Radiation Spectroscopy Applied for Wood Rot Decay and Mould Fungi Growth Detection

    OpenAIRE

    Jelle, Bjørn Petter; Hovde, Per Jostein

    2012-01-01

    Material characterization may be carried out by the attenuated total reflectance (ATR) Fourier transform infrared (FTIR) radiation spectroscopical technique, which represents a powerful experimental tool. The ATR technique may be applied on both solid state materials, liquids, and gases with none or only minor sample preparations, also including materials which are nontransparent to IR radiation. This facilitation is made possible by pressing the sample directly onto various crystals, for exa...

  15. Near Infrared Spectroscopic Identification of Alkyl Aromatic Esters and Phenyl Ketones

    Science.gov (United States)

    Nelyubov, D. V.; Vazhenin, D. A.; Kudriavtsev, A. A.; Buzolina, A. Yu.

    2018-03-01

    Bands characterizing the content of carbon atoms in alkyl (7177-7205 cm-1) and phenyl structural fragments (9175-9192 cm-1) in organic molecules were revealed by studying the near infrared spectra of such compounds. The optical density at the maxima of these absorption bands was shown to depend strongly on the fraction of carbon atoms in the corresponding fragments. The developed models proved to be adequate for determining the fraction of carbon atoms in alkyl aromatic esters and phenyl ketones. The feasibility of modeling the molecular structure of alkyl aromatic esters using regression models was demonstrated for the product of the condensation of oleic acid and benzyl alcohol.

  16. Enhancing forensic science with spectroscopic imaging

    Science.gov (United States)

    Ricci, Camilla; Kazarian, Sergei G.

    2006-09-01

    This presentation outlines the research we are developing in the area of Fourier Transform Infrared (FTIR) spectroscopic imaging with the focus on materials of forensic interest. FTIR spectroscopic imaging has recently emerged as a powerful tool for characterisation of heterogeneous materials. FTIR imaging relies on the ability of the military-developed infrared array detector to simultaneously measure spectra from thousands of different locations in a sample. Recently developed application of FTIR imaging using an ATR (Attenuated Total Reflection) mode has demonstrated the ability of this method to achieve spatial resolution beyond the diffraction limit of infrared light in air. Chemical visualisation with enhanced spatial resolution in micro-ATR mode broadens the range of materials studied with FTIR imaging with applications to pharmaceutical formulations or biological samples. Macro-ATR imaging has also been developed for chemical imaging analysis of large surface area samples and was applied to analyse the surface of human skin (e.g. finger), counterfeit tablets, textile materials (clothing), etc. This approach demonstrated the ability of this imaging method to detect trace materials attached to the surface of the skin. This may also prove as a valuable tool in detection of traces of explosives left or trapped on the surfaces of different materials. This FTIR imaging method is substantially superior to many of the other imaging methods due to inherent chemical specificity of infrared spectroscopy and fast acquisition times of this technique. Our preliminary data demonstrated that this methodology will provide the means to non-destructive detection method that could relate evidence to its source. This will be important in a wider crime prevention programme. In summary, intrinsic chemical specificity and enhanced visualising capability of FTIR spectroscopic imaging open a window of opportunities for counter-terrorism and crime-fighting, with applications ranging

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-07-29

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

  18. Far-infrared spectroscopic study of CeO2 nanocrystals

    International Nuclear Information System (INIS)

    Popović, Z. V.; Grujić-Brojčin, M.; Paunović, N.; Radonjić, M. M.; Araújo, V. D.; Bernardi, M. I. B.; Lima, M. M. de; Cantarero, A.

    2015-01-01

    We present the far-infrared reflectivity spectra of 5 nm-sized pure and copper-doped Ce 1−x Cu x O 2−y (x = 0; 0.01 and 0.10) nanocrystals measured at room temperature in the 50–650 cm −1 spectral range. Reflectivity spectra were analyzed using the factorized form of the dielectric function, which includes the phonon and the free carriers contribution. Four oscillators with TO energies of approximately 135, 280, 370, and 490 cm −1 were included in the fitting procedure. These oscillators represent local maxima of the CeO 2 phonon density of states, which is also calculated using the density functional theory. The lowest energy oscillator represents TA(L)/TA(X) phonon states, which become infrared-active E u modes at the L and X points of the Brillouin zone (BZ). The second oscillator originates from TO(Γ) phonon states. The oscillator at ∼400 cm −1 originates from Raman mode phonon states, which at the L point of BZ also becomes infrared-active E u mode. The last oscillator describes phonons with dominantly LO(Γ) infrared mode character. The appearance of phonon density of states related oscillators, instead of single F 2u infrared-active mode in the far-infrared reflectivity spectra, is a consequence of the nanosized dimension of the CeO 2 particles. The best fit spectra are obtained using the generalized Bruggeman model for inhomogeneous media, which takes into account the nanocrystal volume fraction and the pore shape

  19. Novel biosynthesis of Ag-hydroxyapatite: Structural and spectroscopic characterization

    Directory of Open Access Journals (Sweden)

    Álvaro de Jesús Ruíz-Baltazar

    2018-06-01

    Full Text Available Silver-doped hydroxyapatite (Ag-HAP was obtained by green synthesis route. The dopant silver nanoparticles (AgNPs were obtained by biosynthesis based on Melissa officinalis extract. This research is focused on the characterization and the use of the nontoxic and environment-friendly Ag-HAP nanocomposite. The structural and morphological characterization of Ag-HAP nanocomposite was carried out by scanning electron microscopy (SEM, X-ray diffraction, Fourier-transform infrared (FT-IR and Raman spectroscopy. The obtained nanoparticles exhibited a great interaction with the HAP matrix, performing an Ag-HAP nanocomposite. Changes in the structure of the Ag-HAP nanocomposite were corroborated by the different characterization techniques. Additionally, a homogeneous distribution of the AgNPs on the HAP structure was observed. The heterogeneous nucleation process employed to doping the HAP, offer a functional route to obtain a green composite with potentials applications in multiple fields, such as tissue engineering, bone repair as well as protein. These properties can be evaluated in subsequent studies. Keywords: Green synthesis, Ag nanoparticles, Hydroxyapatite, Structural characterization, Spectroscopy

  20. Chemometric characterization of the hydrogen bonding complexes of secondary amides and aromatic hydrocarbons

    Directory of Open Access Journals (Sweden)

    Jović Branislav

    2012-01-01

    Full Text Available The paper reports the results of the study of hydrogen bonding complexes between secondary amides and various aromatic hydrocarbons. The possibility of using chemometric methods was investigated in order to characterize N-H•••π hydrogen bonded complexes. Hierarchical clustering and Principal Component Analysis (PCA have been applied on infrared spectroscopic and Taft parameters of 43 N-substituted amide complexes with different aromatic hydrocarbons. Results obtained in this report are in good agreement with conclusions of other spectroscopic and thermodynamic analysis.

  1. Fourier transform infrared spectroscopic characterisation of heavy metal-induced metabolic changes in the plant-associated soil bacterium Azospirillum brasilense Sp7

    Science.gov (United States)

    Kamnev, A. A.; Antonyuk, L. P.; Tugarova, A. V.; Tarantilis, P. A.; Polissiou, M. G.; Gardiner, P. H. E.

    2002-06-01

    Structural and compositional features of whole cells of the plant-growth-promoting rhizobacterium Azospirillum brasilense Sp7 under standard and heavy metal-stressed conditions are analysed using Fourier transform infrared (FTIR) spectroscopy and compared with the FT-Raman spectroscopic data obtained previously [J. Mol. Struct. 563-564 (2001) 199]. The structural spectroscopic information is considered together with inductively coupled plasma-mass spectrometric (ICP-MS) analytical data on the content of the heavy metal cations (Co2+, Cu2+ and Zn2+) in the bacterial cells. As a bacterial response to heavy metal stress, all the three metals, being taken up by bacterial cells from the culture medium (0.2 mM) in significant amounts (ca. 0.12, 0.48 and 4.2 mg per gram of dry biomass for Co, Cu and Zn, respectively), are shown to induce essential metabolic changes in the bacterium revealed in the spectra, including the accumulation of polyester compounds in bacterial cells and their enhanced hydration affecting certain IR vibrational modes of functional groups involved.

  2. A far-infrared spectroscopic survey of intermediate redshift (ultra) luminous infrared galaxies

    International Nuclear Information System (INIS)

    Magdis, Georgios E.; Rigopoulou, D.; Hopwood, R.; Clements, D.; Huang, J.-S.; Farrah, D.; Pearson, C.; Alonso-Herrero, Almudena; Bock, J. J.; Cooray, A.; Griffin, M. J.; Oliver, S.; Perez Fournon, I.; Riechers, D.; Swinyard, B. M.; Thatte, N.; Scott, D.; Valtchanov, I.; Vaccari, M.

    2014-01-01

    We present Herschel far-IR photometry and spectroscopy as well as ground-based CO observations of an intermediate redshift (0.21 ≤ z ≤ 0.88) sample of Herschel-selected (ultra)-luminous infrared galaxies (L IR > 10 11.5 L ☉ ). With these measurements, we trace the dust continuum, far-IR atomic line emission, in particular [C II] 157.7 μm, as well as the molecular gas of z ∼ 0.3 luminous and ultraluminous infrared galaxies (LIRGs and ULIRGs) and perform a detailed investigation of the interstellar medium of the population. We find that the majority of Herschel-selected intermediate redshift (U)LIRGs have L C II /L FIR ratios that are a factor of about 10 higher than that of local ULIRGs and comparable to that of local normal and high-z star-forming galaxies. Using our sample to bridge local and high-z [C II] observations, we find that the majority of galaxies at all redshifts and all luminosities follow an L C II –L FIR relation with a slope of unity, from which local ULIRGs and high- z active-galactic-nucleus-dominated sources are clear outliers. We also confirm that the strong anti-correlation between the L C II /L FIR ratio and the far-IR color L 60 /L 100 observed in the local universe holds over a broad range of redshifts and luminosities, in the sense that warmer sources exhibit lower L C II /L FIR at any epoch. Intermediate redshift ULIRGs are also characterized by large molecular gas reservoirs and by lower star formation efficiencies compared to that of local ULIRGs. The high L C II /L FIR ratios, the moderate star formation efficiencies (L IR /L CO ′ or L IR /M H 2 ), and the relatively low dust temperatures of our sample (which are also common characteristics of high-z star-forming galaxies with ULIRG-like luminosities) indicate that the evolution of the physical properties of (U)LIRGs between the present day and z > 1 is already significant by z ∼ 0.3.

  3. [Authentication of Trace Material Evidence in Forensic Science Field with Infrared Microscopic Technique].

    Science.gov (United States)

    Jiang, Zhi-quan; Hu, Ke-liang

    2016-03-01

    In the field of forensic science, conventional infrared spectral analysis technique is usually unable to meet the detection requirements, because only very a few trace material evidence with diverse shapes and complex compositions, can be extracted from the crime scene. Infrared microscopic technique is developed based on a combination of Fourier-transform infrared spectroscopic technique and microscopic technique. Infrared microscopic technique has a lot of advantages over conventional infrared spectroscopic technique, such as high detection sensitivity, micro-area analysisand nondestructive examination. It has effectively solved the problem of authentication of trace material evidence in the field of forensic science. Additionally, almost no external interference is introduced during measurements by infrared microscopic technique. It can satisfy the special need that the trace material evidence must be reserved for witness in court. It is illustrated in detail through real case analysis in this experimental center that, infrared microscopic technique has advantages in authentication of trace material evidence in forensic science field. In this paper, the vibration features in infrared spectra of material evidences, including paints, plastics, rubbers, fibers, drugs and toxicants, can be comparatively analyzed by means of infrared microscopic technique, in an attempt to provide powerful spectroscopic evidence for qualitative diagnosis of various criminal and traffic accident cases. The experimental results clearly suggest that infrared microscopic technique has an incomparable advantage and it has become an effective method for authentication of trace material evidence in the field of forensic science.

  4. Novel biosynthesis of Ag-hydroxyapatite: Structural and spectroscopic characterization

    Science.gov (United States)

    Ruíz-Baltazar, Álvaro de Jesús; Reyes-López, Simón Yobanny; Silva-Holguin, Pamela Nair; Larrañaga, Daniel; Estévez, Miriam; Pérez, Ramiro

    2018-06-01

    Silver-doped hydroxyapatite (Ag-HAP) was obtained by green synthesis route. The dopant silver nanoparticles (AgNPs) were obtained by biosynthesis based on Melissa officinalis extract. This research is focused on the characterization and the use of the nontoxic and environment-friendly Ag-HAP nanocomposite. The structural and morphological characterization of Ag-HAP nanocomposite was carried out by scanning electron microscopy (SEM), X-ray diffraction, Fourier-transform infrared (FT-IR) and Raman spectroscopy. The obtained nanoparticles exhibited a great interaction with the HAP matrix, performing an Ag-HAP nanocomposite. Changes in the structure of the Ag-HAP nanocomposite were corroborated by the different characterization techniques. Additionally, a homogeneous distribution of the AgNPs on the HAP structure was observed. The heterogeneous nucleation process employed to doping the HAP, offer a functional route to obtain a green composite with potentials applications in multiple fields, such as tissue engineering, bone repair as well as protein. These properties can be evaluated in subsequent studies.

  5. Spectroscopic characterization of D-003 obtained from the sugar cane (Saccharum officinarum L.) wax

    International Nuclear Information System (INIS)

    Marrero Delange, David; Cora Medina, Miriam; Laguna Granja, Abilio; Gonzalez Canavaciolo Victor L

    2013-01-01

    D-003, an active pharmaceutical ingredient (API) purified from sugar cane (Saccharum officinarum L.) wax with cholesterol-lowering and antioxidant effects, is composed of a mixture of free saturated very long chain fatty acids (VLCFAs), each within specific relative concentration ranges as determined by the gas chromatography (GC). However, the spectroscopic characterization of D-003 had not been previously reported

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

    Science.gov (United States)

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

    1988-01-01

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

  7. Variable angle spectroscopic ellipsometric characterization of HfO2 thin film

    Science.gov (United States)

    Kumar, M.; Kumari, N.; Karar, V.; Sharma, A. L.

    2018-02-01

    Hafnium Oxide film was deposited on BK7 glass substrate using reactive oxygenated E-Beam deposition technique. The film was deposited using in-situ quartz crystal thickness monitoring to control the film thickness and rate of evaporation. The thin film was grown with a rate of deposition of 0.3 nm/s. The coated substrate was optically characterized using spectrophotometer to determine its transmission spectra. The optical constants as well as film thickness of the hafnia film were extracted by variable angle spectroscopic ellipsometry with Cauchy fitting at incidence angles of 65˚, 70˚ and 75˚.

  8. Characterization of cytochrome c as marker for retinal cell degeneration by uv/vis spectroscopic imaging

    Science.gov (United States)

    Hollmach, Julia; Schweizer, Julia; Steiner, Gerald; Knels, Lilla; Funk, Richard H. W.; Thalheim, Silko; Koch, Edmund

    2011-07-01

    Retinal diseases like age-related macular degeneration have become an important cause of visual loss depending on increasing life expectancy and lifestyle habits. Due to the fact that no satisfying treatment exists, early diagnosis and prevention are the only possibilities to stop the degeneration. The protein cytochrome c (cyt c) is a suitable marker for degeneration processes and apoptosis because it is a part of the respiratory chain and involved in the apoptotic pathway. The determination of the local distribution and oxidative state of cyt c in living cells allows the characterization of cell degeneration processes. Since cyt c exhibits characteristic absorption bands between 400 and 650 nm wavelength, uv/vis in situ spectroscopic imaging was used for its characterization in retinal ganglion cells. The large amount of data, consisting of spatial and spectral information, was processed by multivariate data analysis. The challenge consists in the identification of the molecular information of cyt c. Baseline correction, principle component analysis (PCA) and cluster analysis (CA) were performed in order to identify cyt c within the spectral dataset. The combination of PCA and CA reveals cyt c and its oxidative state. The results demonstrate that uv/vis spectroscopic imaging in conjunction with sophisticated multivariate methods is a suitable tool to characterize cyt c under in situ conditions.

  9. Built-in hyperspectral camera for smartphone in visible, near-infrared and middle-infrared lights region (third report): spectroscopic imaging for broad-area and real-time componential analysis system against local unexpected terrorism and disasters

    Science.gov (United States)

    Hosono, Satsuki; Kawashima, Natsumi; Wollherr, Dirk; Ishimaru, Ichiro

    2016-05-01

    The distributed networks for information collection of chemical components with high-mobility objects, such as drones or smartphones, will work effectively for investigations, clarifications and predictions against unexpected local terrorisms and disasters like localized torrential downpours. We proposed and reported the proposed spectroscopic line-imager for smartphones in this conference. In this paper, we will mention the wide-area spectroscopic-image construction by estimating 6 DOF (Degrees Of Freedom: parallel movements=x,y,z and rotational movements=θx, θy, θz) from line data to observe and analyze surrounding chemical-environments. Recently, smartphone movies, what were photographed by peoples happened to be there, had worked effectively to analyze what kinds of phenomenon had happened around there. But when a gas tank suddenly blew up, we did not recognize from visible-light RGB-color cameras what kinds of chemical gas components were polluting surrounding atmospheres. Conventionally Fourier spectroscopy had been well known as chemical components analysis in laboratory usages. But volatile gases should be analyzed promptly at accident sites. And because the humidity absorption in near and middle infrared lights has very high sensitivity, we will be able to detect humidity in the sky from wide field spectroscopic image. And also recently, 6-DOF sensors are easily utilized for estimation of position and attitude for UAV (Unmanned Air Vehicle) or smartphone. But for observing long-distance views, accuracies of angle measurements were not sufficient to merge line data because of leverage theory. Thus, by searching corresponding pixels between line spectroscopic images, we are trying to estimate 6-DOF in high accuracy.

  10. Automated high-pressure titration system with in situ infrared spectroscopic detection

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, Christopher J., E-mail: chris.thompson@pnnl.gov; Martin, Paul F.; Chen, Jeffrey; Schaef, Herbert T.; Rosso, Kevin M.; Felmy, Andrew R.; Loring, John S. [Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Benezeth, Pascale [Géosciences Environnement Toulouse (GET), CNRS-Université de Toulouse, 31400 Toulouse (France)

    2014-04-15

    A fully automated titration system with infrared detection was developed for investigating interfacial chemistry at high pressures. The apparatus consists of a high-pressure fluid generation and delivery system coupled to a high-pressure cell with infrared optics. A manifold of electronically actuated valves is used to direct pressurized fluids into the cell. Precise reagent additions to the pressurized cell are made with calibrated tubing loops that are filled with reagent and placed in-line with the cell and a syringe pump. The cell's infrared optics facilitate both transmission and attenuated total reflection (ATR) measurements to monitor bulk-fluid composition and solid-surface phenomena such as adsorption, desorption, complexation, dissolution, and precipitation. Switching between the two measurement modes is accomplished with moveable mirrors that direct the light path of a Fourier transform infrared spectrometer into the cell along transmission or ATR light paths. The versatility of the high-pressure IR titration system was demonstrated with three case studies. First, we titrated water into supercritical CO{sub 2} (scCO{sub 2}) to generate an infrared calibration curve and determine the solubility of water in CO{sub 2} at 50 °C and 90 bar. Next, we characterized the partitioning of water between a montmorillonite clay and scCO{sub 2} at 50 °C and 90 bar. Transmission-mode spectra were used to quantify changes in the clay's sorbed water concentration as a function of scCO{sub 2} hydration, and ATR measurements provided insights into competitive residency of water and CO{sub 2} on the clay surface and in the interlayer. Finally, we demonstrated how time-dependent studies can be conducted with the system by monitoring the carbonation reaction of forsterite (Mg{sub 2}SiO{sub 4}) in water-bearing scCO{sub 2} at 50 °C and 90 bar. Immediately after water dissolved in the scCO{sub 2}, a thin film of adsorbed water formed on the mineral surface

  11. Automated high-pressure titration system with in situ infrared spectroscopic detection

    International Nuclear Information System (INIS)

    Thompson, Christopher J.; Martin, Paul F.; Chen, Jeffrey; Schaef, Herbert T.; Rosso, Kevin M.; Felmy, Andrew R.; Loring, John S.; Benezeth, Pascale

    2014-01-01

    A fully automated titration system with infrared detection was developed for investigating interfacial chemistry at high pressures. The apparatus consists of a high-pressure fluid generation and delivery system coupled to a high-pressure cell with infrared optics. A manifold of electronically actuated valves is used to direct pressurized fluids into the cell. Precise reagent additions to the pressurized cell are made with calibrated tubing loops that are filled with reagent and placed in-line with the cell and a syringe pump. The cell's infrared optics facilitate both transmission and attenuated total reflection (ATR) measurements to monitor bulk-fluid composition and solid-surface phenomena such as adsorption, desorption, complexation, dissolution, and precipitation. Switching between the two measurement modes is accomplished with moveable mirrors that direct the light path of a Fourier transform infrared spectrometer into the cell along transmission or ATR light paths. The versatility of the high-pressure IR titration system was demonstrated with three case studies. First, we titrated water into supercritical CO 2 (scCO 2 ) to generate an infrared calibration curve and determine the solubility of water in CO 2 at 50 °C and 90 bar. Next, we characterized the partitioning of water between a montmorillonite clay and scCO 2 at 50 °C and 90 bar. Transmission-mode spectra were used to quantify changes in the clay's sorbed water concentration as a function of scCO 2 hydration, and ATR measurements provided insights into competitive residency of water and CO 2 on the clay surface and in the interlayer. Finally, we demonstrated how time-dependent studies can be conducted with the system by monitoring the carbonation reaction of forsterite (Mg 2 SiO 4 ) in water-bearing scCO 2 at 50 °C and 90 bar. Immediately after water dissolved in the scCO 2 , a thin film of adsorbed water formed on the mineral surface, and the film thickness increased with time as the

  12. Infrared reflectance measurement for InN thin film characterization

    International Nuclear Information System (INIS)

    Fukui, K.; Kugumiya, Y.; Nakagawa, N.; Yamamoto, A.

    2006-01-01

    Infrared reflectance measurements of a series of InN thin films have been performed and attempt to derive carrier concentration and other physical constants for InN thin film characterization. Fitting calculations are performed by use of the dielectric function equation based on phonon-plasmon coupling model. Longitudinal and transverse optical phonon frequencies, plasma frequency and their damping parameters can be derived from fitting. From those results, electrical and phonon properties of InN and characterization of films are discussed. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Far-infrared spectroscopic study of CeO2 nanocrystals

    Science.gov (United States)

    Popović, Z. V.; Grujić-Brojčin, M.; Paunović, N.; Radonjić, M. M.; Araújo, V. D.; Bernardi, M. I. B.; de Lima, M. M.; Cantarero, A.

    2015-01-01

    We present the far-infrared reflectivity spectra of 5 nm-sized pure and copper-doped Ce1- x Cu x O2- y ( x = 0; 0.01 and 0.10) nanocrystals measured at room temperature in the 50-650 cm-1 spectral range. Reflectivity spectra were analyzed using the factorized form of the dielectric function, which includes the phonon and the free carriers contribution. Four oscillators with TO energies of approximately 135, 280, 370, and 490 cm-1 were included in the fitting procedure. These oscillators represent local maxima of the CeO2 phonon density of states, which is also calculated using the density functional theory. The lowest energy oscillator represents TA(L)/TA(X) phonon states, which become infrared-active E u modes at the L and X points of the Brillouin zone (BZ). The second oscillator originates from TO(Γ) phonon states. The oscillator at 400 cm-1 originates from Raman mode phonon states, which at the L point of BZ also becomes infrared-active E u mode. The last oscillator describes phonons with dominantly LO(Γ) infrared mode character. The appearance of phonon density of states related oscillators, instead of single F 2uinfrared-active mode in the far-infrared reflectivity spectra, is a consequence of the nanosized dimension of the CeO2 particles. The best fit spectra are obtained using the generalized Bruggeman model for inhomogeneous media, which takes into account the nanocrystal volume fraction and the pore shape.

  14. In situ mid-infrared spectroscopic titration of forsterite with water in supercritical CO2: Dependence of mineral carbonation on quantitative water speciation

    Science.gov (United States)

    Loring, J. S.; Thompson, C. J.; Wang, Z.; Schaef, H. T.; Martin, P.; Qafoku, O.; Felmy, A. R.; Rosso, K. M.

    2011-12-01

    Geologic sequestration of carbon dioxide holds promise for helping mitigate CO2 emissions generated from the burning of fossil fuels. Supercritical CO2 (scCO2) plumes containing variable water concentrations (wet scCO2) will displace aqueous solution and dominate the pore space adjacent to caprocks. It is important to understand possible mineral reactions with wet scCO2 to better predict long-term caprock integrity. We introduce novel in situ instrumentation that enables quantitative titrations of reactant minerals with water in scCO2 at temperatures and pressures relevant to target geologic reservoirs. The system includes both transmission and attenuated total reflection mid-infrared optics. Transmission infrared spectroscopy is used to measure concentrations of water dissolved in the scCO2, adsorbed on mineral surfaces, and incorporated into precipitated carbonates. Single-reflection attenuated total reflection infrared spectroscopy is used to monitor water adsorption, mineral dissolution, and carbonate precipitation reactions. Results are presented for the infrared spectroscopic titration of forsterite (Mg2SiO4), a model divalent metal silicate, with water in scCO2 at 100 bar and at both 50 and 75°C. The spectral data demonstrate that the quantitative speciation of water as either dissolved or adsorbed is important for understanding the types, growth rates, and amounts of carbonate precipitates formed. Relationships between dissolved/adsorbed water, water concentrations, and the role of liquid-like adsorbed water are discussed. Our results unify previous in situ studies from our laboratory based on infrared spectroscopy, nuclear magnetic resonance spectroscopy and X-ray diffraction.

  15. Ab initio molecular orbital and infrared spectroscopic study of the conformation of secondary amides: derivatives of formanilide, acetanilide and benzylamides

    Science.gov (United States)

    Ilieva, S.; Hadjieva, B.; Galabov, B.

    1999-09-01

    Ab initio molecular orbital calculations at HF/4-31G level and infrared spectroscopic data for the frequencies are applied to analyse the grouping in a series model aromatic secondary amides: formanilide; acetanilide; o-methylacetanilide; 2,6-dimethylformanilide, 2,6-dimethylacetanilide; N-benzylacetamide and N-benzylformamide. The theoretical and experimental data obtained show that the conformational state of the molecules studied is determined by the fine balance of several intramolecular factors: resonance effect between the amide group and the aromatic ring, steric interaction between various substituents around the -NH-CO- grouping in the aromatic ring, conjugation between the carbonyl bond and the nitrogen lone pair as well as direct field influences inside the amide group.

  16. Characterization of organic thin films

    CERN Document Server

    Ulman, Abraham; Evans, Charles A

    2009-01-01

    Thin films based upon organic materials are at the heart of much of the revolution in modern technology, from advanced electronics, to optics to sensors to biomedical engineering. This volume in the Materials Characterization series introduces the major common types of analysis used in characterizing of thin films and the various appropriate characterization technologies for each. Materials such as Langmuir-Blodgett films and self-assembled monolayers are first introduced, followed by analysis of surface properties and the various characterization technologies used for such. Readers will find detailed information on: -Various spectroscopic approaches to characterization of organic thin films, including infrared spectroscopy and Raman spectroscopy -X-Ray diffraction techniques, High Resolution EELS studies, and X-Ray Photoelectron Spectroscopy -Concise Summaries of major characterization technologies for organic thin films, including Auger Electron Spectroscopy, Dynamic Secondary Ion Mass Spectrometry, and Tra...

  17. Far-infared spectroscopic observations with a Balloon-Borne infrared telescope

    International Nuclear Information System (INIS)

    Maihara, Toshinori; Takami, Hideki; Mizutani, Kohei

    1986-01-01

    The first observations of far-infrared celestial objects using the 50-cm Balloon-Borne Infrared Telescope were made in Alice Springs, Australia. Far-infrared spectrophotometric data between 45 and 115 μm were taken for the Orion-KL region, Saturn and a southern H II region RCW 38. The data including high excitation transition lines of CO for Orion-KL, O III lines for RCW 38 and a PH 3 absorption feature of Saturn will be presented. (author)

  18. Spectroscopic methods for characterization of nuclear fuels

    International Nuclear Information System (INIS)

    Sastry, M.D.

    1999-01-01

    Spectroscopic techniques have contributed immensely in the characterisation and speciation of materials relevant to a variety of applications. These techniques have time tested credentials and continue to expand into newer areas. In the field of nuclear fuel fabrication, atomic spectroscopic methods are used for monitoring the trace metallic constituents in the starting materials and end product, and for monitoring process pick up. The current status of atomic spectroscopic methods for the determination of trace metallic constituents in nuclear fuel materials will be briefly reviewed and new approaches will be described with a special emphasis on inductively coupled plasma techniques and ETV-ICP-AES hyphenated techniques. Special emphasis will also be given in highlighting the importance of chemical separation procedures for the optimum utilization of potential of ICP. The presentation will also include newer techniques like Photo Acoustic Spectroscopy, and Electron Paramagnetic Resonance (EPR) Imaging. PAS results on uranium and plutonium oxides will be described with a reference to the determination of U 4+ /U 6+ concentration in U 3 O 8 . EPR imaging techniques for speciation and their spatial distribution in solids will be described and its potential use for Gd 3+ containing UO 2 pellets (used for flux flattening) will be highlighted. (author)

  19. Far-infrared spectroscopy of HII regions

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  20. 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

  1. Spectroscopic characterization of schiff base-copper complexes immobilized in smectite clays

    Directory of Open Access Journals (Sweden)

    Patrícia M. Dias

    2010-01-01

    Full Text Available Herein, the immobilization of some Schiff base-copper(II complexes in smectite clays is described as a strategy for the heterogenization of homogeneous catalysts. The obtained materials were characterized by spectroscopic techniques, mostly UV/Vis, EPR, XANES and luminescence spectroscopy. SWy-2 and synthetic Laponite clays were used for the immobilization of two different complexes that have previously shown catalytic activity in the dismutation of superoxide radicals, and disproportionation of hydrogen peroxide. The obtained results indicated the occurrence of an intriguing intramolecular redox process involving copper and the imine ligand at the surface of the clays. These studies are supported by computational calculations.

  2. Fuel cells: spectroscopic studies in the electrocatalysis of alcohol oxidation

    OpenAIRE

    Iwasita Teresa

    2002-01-01

    Modern spectroscopic methods are useful for elucidating complex electrochemical mechanisms as those occurring during the oxidation of small organic molecules (CH3OH, HCOH, HCOOH). In the present paper it is shown the use of spectroscopic methods to study the oxidation of alcohols on platinum or Pt-based binary electrodes. These reactions are of importance in conexion with the development of anode systems for use in fuel cells. Mass spectrometry and FT infrared spectroscopy allow to establishi...

  3. Optical and infrared spectroscopic studies of chemical sensing by copper phthalocyanine thin films

    International Nuclear Information System (INIS)

    Singh, Sukhwinder; Tripathi, S.K.; Saini, G.S.S.

    2008-01-01

    Thin films of copper phthalocyanine have been deposited on KBr and glass substrates by thermal evaporation method and characterized by the X-ray diffraction and optical absorption techniques. The observed X-ray pattern suggests the presence of α crystalline phase of copper phthalocyanine in the as-deposited thin films. Infrared spectra of thin films on the KBr pallet before and after exposure to the vapours of ammonia and methanol have been recorded in the wavenumber region of 400-1650 cm -1 . The observed infrared bands also confirm the α crystalline phase. On exposure, change in the intensity of some bands is observed. A new band at 1385 cm -1 , forbidden under ideal D 4h point group symmetry, is also observed in the spectra of exposed thin films. These changes in the spectra are interpreted in terms of the lowering of molecular symmetry from D 4h to C 4v . Axial ligation of the vapour molecules on fifth coordination site of the metal ion is responsible for lowering of the molecular symmetry

  4. Spectroscopic characterization of Simultaneous determination of Albendazol from the sugar cane (Saccharum officinarum L.) wax

    International Nuclear Information System (INIS)

    Marrero Delange, David; Cora Medina, Miriam; Laguna Granja, Abilio; Gonzalez Canavaciolo, Victor L

    2013-01-01

    D-003, an active pharmaceutical ingredient (API) purified from sugar cane (Saccharum officinarum L.) wax with cholesterol-lowering and antioxidant effects, is composed of a mixture of free saturated very long chain fatty acids (VLCFAs), each within specific relative concentration ranges as determined by the gas chromatography (GC). However, the spectroscopic characterization of D-003 had not been previously reported

  5. Infrared Astronomy and Star Formation

    International Nuclear Information System (INIS)

    Evans, N.J.

    1985-01-01

    Infrared astronomy is a natural tool to use in studying star formation because infrared light penetrates the surrounding dust and because protostars are expected to emit infrared light. Infrared mapping and photometry have revealed many compact sources, often embedded in more extensive warm dust associated with a molecular cloud core. More detailed study of these objects is now beginning, and traditional interpretations are being questioned. Some compact sources are now thought to be density enhancements which are not self-luminous. Infrared excesses around young stars may not always be caused by circumstellar dust; speckle measurements have shown that at least some of the excess toward T Tauri is caused by an infrared companion. Spectroscopic studies of the dense, star-forming cores and of the compact objects themselves have uncovered a wealth of new phenomena, including the widespread occurence of energetic outflows. New discoveries with IRAS and with other planned infrared telescopes will continue to advance this field. (author)

  6. In situ mid-infrared analyses of reactive gas-phase intermediates in TEOS/Ozone SAPCVD

    International Nuclear Information System (INIS)

    Whidden, Thomas K.; Doiron, Sarah

    1998-01-01

    In this report, we present in situ characterizations of chemical vapour deposition (CVD) reactors used in silicon dioxide thin film depositions. The characterizations are based on Fourier transform infrared spectroscopy. The infrared absorption data are interpreted within the context of process and thin film properties and the bearing of the spectroscopic data upon the chemical mechanisms extant in the deposition reaction. The relevance of the interpretations to real-time process control is discussed. The process under study in this work is TEOS/ozone-based deposition of silicon dioxide thin films at subatmospheric pressures. This process exhibits many desirable properties but has fundamental problems that may be solvable by reaction control based on in situ analyses and the real-time manipulation of reagent concentrations and process conditions. Herein we discuss our preliminary data on characterizations of TEOS/ozone chemistries in commercial reactor configurations. Reaction products and reactive intermediate species are detected and identified. Quantitative in situ measurements of the reagent materials are demonstrated. Preliminary correlations of these data with process and thin film properties are discussed

  7. High-speed infrared imaging for material characterization in experimental mechanics experiments

    Science.gov (United States)

    Gagnon, Marc-André; Marcotte, Frédérick; Lagueux, Philippe; Farley, Vincent; Guyot, Éric; Morton, Vince

    2017-10-01

    Heat transfers are involved in many phenomena such as friction, tensile stress, shear stress and material rupture. Among the challenges encountered during the characterization of such thermal patterns is the need for both high spatial and temporal resolution. Infrared imaging provides information about surface temperature that can be attributed to the stress response of the material and breaking of chemical bounds. In order to illustrate this concept, tensile and shear tests were carried out on steel, aluminum and carbon fiber composite materials and monitored using high-speed (Telops FASTM2K) and high-definition (Telops HD-IR) infrared imaging. Results from split-Hopkinson experiments carried out on a polymer material at high strain-rate are also presented. The results illustrate how high-speed and high-definition infrared imaging in the midwave infrared (MWIR, 3 - 5 μm) spectral range can provide detailed information about the thermal properties of materials undergoing mechanical testing.

  8. Spectroscopic characterization of the on-surface induced (cyclo) dehydrogenation of a N-heteroaromatic compound on noble metal surfaces

    Czech Academy of Sciences Publication Activity Database

    Palacio, I.; Pinardi, A. L.; Martínez, J. I.; Preobrajenski, A.; Cossaro, A.; Jančařík, Andrej; Stará, Irena G.; Starý, Ivo; Méndez, J.; Martín-Gago, J.A.; López, M.F.

    2017-01-01

    Roč. 19, č. 33 (2017), s. 22454-22461 ISSN 1463-9076 Institutional support: RVO:61388963 Keywords : dibenzohelicene * on-surface (cyclo)dehydrogenation * spectroscopic characterization Subject RIV: CC - Organic Chemistry OBOR OECD: Organic chemistry Impact factor: 4.123, year: 2016

  9. Characterization methods of integrated optics for mid-infrared interferometry

    Science.gov (United States)

    Labadie, Lucas; Kern, Pierre Y.; Schanen-Duport, Isabelle; Broquin, Jean-Emmanuel

    2004-10-01

    his article deals with one of the important instrumentation challenges of the stellar interferometry mission IRSI-Darwin of the European Space Agency: the necessity to have a reliable and performant system for beam combination has enlightened the advantages of an integrated optics solution, which is already in use for ground-base interferometry in the near infrared. Integrated optics provides also interesting features in terms of filtering, which is a main issue for the deep null to be reached by Darwin. However, Darwin will operate in the mid infrared range from 4 microns to 20 microns where no integrated optics functions are available on-the-shelf. This requires extending the integrated optics concept and the undergoing technology in this spectral range. This work has started with the IODA project (Integrated Optics for Darwin) under ESA contract and aims to provide a first component for interferometry. In this paper are presented the guidelines of the characterization work that is implemented to test and validate the performances of a component at each step of the development phase. We present also an example of characterization experiment used within the frame of this work, is theoretical approach and some results.

  10. Surface spectroscopic characterization of a model methane-activation catalyst

    International Nuclear Information System (INIS)

    Chen, J.G.; Weisel, M.D.; Hoffmann, F.M.; Hall, R.B.

    1992-01-01

    In an effort to understand the details concerning the alkali-promoted selectivity for the oxidative coupling of methane, the authors have carried out a detailed characterization of a model K/NiO/Ni(100) catalyst under well-controlled, ultrahigh vacuum conditions. The authors' systematic approach involved the following procedures: detailed investigation of the formation and structure of NiO on a clean Ni(100) surface; spectroscopic characterization of K-doped NiO by in situ deposition of potassium onto well-characterized NiO/Ni(100) substrate; and determination of the reactivities of NiO/Ni(100) and K/NiO/Ni(100) towards H 2 and CH 4 . In this paper, the authors will use the model K/NiO/Ni(100) system as an example to demonstrate that a detailed, complementary characterization of the model catalyst could best be achieved by using a combination of a variety of surface techniques: The methods of HREELS, LEED, XPS and AES could be applied to obtain properties on and near the surface regions; the technique of FYNES, being a photon-in/photon-out method could be utilized to investigate the bulk properties up to 2000 Angstrom below the surface; the method of FTIR using CO as a probing molecule is, on the other hand, sensitive only to the properties of the top-most surface layer. The result is to be presented in this paper will be mainly those obtained by using the two vibrational spectroscopies (HREELS and FTIR). Results from other surface techniques will also be discussed or presented when they provide additional information to the vibrational data

  11. Fourier-transform infrared spectroscopic studies of dithia ...

    Indian Academy of Sciences (India)

    We present here infrared absorption spectra of dithia tetraphenylporphine and its cation in the 450-1600 and 2900-3400 cm-1 regions. Most of the allowed IR bands are observed in pairs due to overall 2ℎ point group symmetry of the molecule. The observed bands have been assigned to the porphyrin skeleton and phenyl ...

  12. Fourier-transform infrared spectroscopic studies of dithia ...

    Indian Academy of Sciences (India)

    Unknown

    limited region 1000–1150 cm–1.10 Therefore, in the present paper we report and analyse Fourier-trans- form infrared (FT-IR) spectra of S2TPP and its chemically prepared cation. 2. Experimental. Dithia tetraphenyl porphyrine was received from. Professor A L Verma as a gift and used without fur- ther purification. However ...

  13. SSGSS: THE SPITZER–SDSS–GALEX SPECTROSCOPIC SURVEY

    International Nuclear Information System (INIS)

    O'Dowd, Matthew J.; Schiminovich, David; Johnson, Benjamin D.; Treyer, Marie A.; Martin, Christopher D.; Wyder, Ted K.; Charlot, Stéphane; Heckman, Timothy M.; Martins, Lucimara P.; Seibert, Mark; Van der Hulst, J. M.

    2011-01-01

    The Spitzer-SDSS-GALEX Spectroscopic Survey (SSGSS) provides a new sample of 101 star-forming galaxies at z < 0.2 with unprecedented multi-wavelength coverage. New mid- to far-infrared spectroscopy from the Spitzer Space Telescope is added to a rich suite of previous imaging and spectroscopy, including ROSAT, Galaxy Evolution Explorer, Sloan Digital Sky Survey, Two Micron All Sky Survey, and Spitzer/SWIRE. Sample selection ensures an even coverage of the full range of normal galaxy properties, spanning two orders of magnitude in stellar mass, color, and dust attenuation. In this paper we present the SSGSS data set, describe the science drivers, and detail the sample selection, observations, data reduction, and quality assessment. Also in this paper, we compare the shape of the thermal continuum and the degree of silicate absorption of these typical, star-forming galaxies to those of starburst galaxies. We investigate the link between star formation rate, infrared luminosity, and total polycyclic aromatic hydrocarbon luminosity, with a view to calibrating the latter for spectral energy distribution models in photometric samples and at high redshift. Last, we take advantage of the 5-40 μm spectroscopic and far-infrared photometric coverage of this sample to perform detailed fitting of the Draine et al. dust models, and investigate the link between dust mass and star formation history and active galactic nucleus properties.

  14. Optical characterization of epitaxial single crystal CdTe thin films on Al{sub 2}O{sub 3} (0001) substrates

    Energy Technology Data Exchange (ETDEWEB)

    Jovanovic, S.M.; Devenyi, G.A., E-mail: devenyga@mcmaster.ca; Jarvis, V.M.; Meinander, K.; Haapamaki, C.M.; Kuyanov, P.; Gerber, M.; LaPierre, R.R.; Preston, J.S.

    2014-11-03

    The optoelectronic properties of single crystal CdTe thin films were investigated by photoluminescence spectroscopy, photoreflectance spectroscopy and variable angle spectroscopic ellipsometry. The room temperature bandgap was measured to be 1.51 eV and was consistent between spectroscopic measurements and previously reported values. Breadth of bandgap emission was consistent with high quality material. Low temperature photoluminescence spectra indicated a dominant emission consistent with bound excitons. Emissions corresponding to self-compensation defects, doping and contaminants were not found. Variable angle spectroscopic ellipsometry measurements over the near-UV to infrared range demonstrated sharp resonance peaks. All spectroscopic measurements indicate high quality thin film material of comparable or better quality than bulk CdTe. - Highlights: • High quality epitaxial CdTe thin films were grown. • Two dimensional X-ray diffraction characterization confirmed single crystal material. • Photoluminescence indicated low defect density when compared to bulk single crystals. • Optical characterization indicated the presence of room temperature excitons.

  15. Handbook of infrared standards II with spectral coverage between

    CERN Document Server

    Meurant, Gerard

    1993-01-01

    This timely compilation of infrared standards has been developed for use by infrared researchers in chemistry, physics, engineering, astrophysics, and laser and atmospheric sciences. Providing maps of closely spaced molecular spectra along with their measured wavenumbers between 1.4vm and 4vm, this handbook will complement the 1986 Handbook of Infrared Standards that included special coverage between 3 and 2600vm. It will serve as a necessary reference for all researchers conducting spectroscopic investigations in the near-infrared region.Key Features:- Provides all new spec

  16. A near infrared spectroscopic study of the interstellar gas in the starburst core of M82

    International Nuclear Information System (INIS)

    Lester, D.F.; Carr, J.; Joy, M.; Gaffney, N.

    1990-01-01

    Researchers used the McDonald Observatory Infrared Grating Spectrometer, to complete a program of spatially resolved spectroscopy of M82. The inner 300 pc of the starburst was observed with 4 inch (50 pc) resolution. Complete J, H and K band spectra with resolution 0.0035 micron (lambda/delta lambda=620 at K) were measured at the near-infrared nucleus of the galaxy. Measurements of selected spectral features including lines of FeII, HII and H2 were observed along the starburst ridge-line, so the relative distribution of the diagnostic features could be understood. This information was used to better define the extinction towards the starburst region, the excitation conditions in the gas, and to characterize the stellar populations there

  17. A near infrared spectroscopic study of the interstellar gas in the starburst core of M82

    Science.gov (United States)

    Lester, Dan F.; Carr, John; Joy, Marshall; Gaffney, Niall

    1990-01-01

    Researchers used the McDonald Observatory Infrared Grating Spectrometer, to complete a program of spatially resolved spectroscopy of M82. The inner 300 pc of the starburst was observed with 4 inch (50 pc) resolution. Complete J, H and K band spectra with resolution 0.0035 micron (lambda/delta lambda=620 at K) were measured at the near-infrared nucleus of the galaxy. Measurements of selected spectral features including lines of FeII, HII and H2 were observed along the starburst ridge-line, so the relative distribution of the diagnostic features could be understood. This information was used to better define the extinction towards the starburst region, the excitation conditions in the gas, and to characterize the stellar populations there.

  18. Far-infrared spectroscopic study of CeO{sub 2} nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Popović, Z. V., E-mail: zoran.popovic@ipb.ac.rs; Grujić-Brojčin, M.; Paunović, N. [University of Belgrade, Center for Solid State Physics and New Materials, Institute of Physics (Serbia); Radonjić, M. M. [University of Belgrade, Scientific Computing Laboratory, Institute of Physics Belgrade (Serbia); Araújo, V. D.; Bernardi, M. I. B. [Universidade de São Paulo-USP, Instituto de Fisica (Brazil); Lima, M. M. de; Cantarero, A. [Universidad de Valencia, Instituto de Ciencia de Los Materiales (Spain)

    2015-01-15

    We present the far-infrared reflectivity spectra of 5 nm-sized pure and copper-doped Ce{sub 1−x}Cu{sub x}O{sub 2−y} (x = 0; 0.01 and 0.10) nanocrystals measured at room temperature in the 50–650 cm{sup −1} spectral range. Reflectivity spectra were analyzed using the factorized form of the dielectric function, which includes the phonon and the free carriers contribution. Four oscillators with TO energies of approximately 135, 280, 370, and 490 cm{sup −1} were included in the fitting procedure. These oscillators represent local maxima of the CeO{sub 2} phonon density of states, which is also calculated using the density functional theory. The lowest energy oscillator represents TA(L)/TA(X) phonon states, which become infrared-active E{sub u} modes at the L and X points of the Brillouin zone (BZ). The second oscillator originates from TO(Γ) phonon states. The oscillator at ∼400 cm{sup −1} originates from Raman mode phonon states, which at the L point of BZ also becomes infrared-active E{sub u} mode. The last oscillator describes phonons with dominantly LO(Γ) infrared mode character. The appearance of phonon density of states related oscillators, instead of single F{sub 2u}infrared-active mode in the far-infrared reflectivity spectra, is a consequence of the nanosized dimension of the CeO{sub 2} particles. The best fit spectra are obtained using the generalized Bruggeman model for inhomogeneous media, which takes into account the nanocrystal volume fraction and the pore shape.

  19. Comment on "A spectroscopic comparison of selected Chinese kaolinite, coal bearing kaolinite and halloysite--a mid-infrared and near-infrared study" and "Infrared and infrared emission spectroscopic study of typical Chinese kaolinite and halloysite" by Hongfei Cheng et al. (2010).

    Science.gov (United States)

    Kloprogge, J Theo

    2015-02-05

    In two papers Cheng et al. (2010) reported in this journal on the mid-infrared, near-infrared and infrared emission spectroscopy of a halloysite from Hunan Xianrenwan, China. This halloysite contains around 8% of quartz (SiO2) and nearly 9% gibbsite (Al(OH)3). In their interpretation of the spectra these impurities were completely ignored. Careful comparison with a phase pure halloysite from Southern Belgium, synthetic gibbsite, gibbsite from Minas Gerais, and quartz show that these impurities do have a marked influence on the mid-infrared and infrared emission spectra. In the near-infrared, the effect is much less pronounced. Quartz does not show bands in this region and the gibbsite bands will be very weak. Comparison still show that the presence of gibbsite does contribute to the overall spectrum and bands that were ascribed to the halloysite alone do coincide with those of gibbsite. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Polarized spectroscopic properties of Nd3+-doped KGd(WO4)2 single crystal

    International Nuclear Information System (INIS)

    Chen Yujin; Lin Yanfu; Gong Xinghong; Tan Qiguang; Zhuang Jian; Luo Zundu; Huang Yidong

    2007-01-01

    The polarized absorption spectra, infrared fluorescence spectra, upconversion visible fluorescence spectra, and fluorescence decay curve of orientated Nd 3+ :KGd(WO 4 ) 2 crystal were measured at room-temperature. Some important spectroscopic parameters were investigated in detail in the framework of the Judd-Ofelt theory and the Fuchtbauer-Ladenburg formula. The effect of the crystal structure on the spectroscopic properties of the Nd 3+ ions was analyzed. The relation among the spectroscopic parameters and the laser performances of the Nd 3+ :KGd(WO 4 ) 2 crystal was discussed

  1. Geological characterization of remote field sites using visible and infrared spectroscopy: Results from the 1999 Marsokhod field test

    Science.gov (United States)

    Johnson, J. R.; Ruff, S.W.; Moersch, J.; Roush, T.; Horton, K.; Bishop, J.; Cabrol, N.A.; Cockell, C.; Gazis, P.; Newsom, Horton E.; Stoker, C.

    2001-01-01

    Upcoming Mars Surveyor lander missions will include extensive spectroscopic capabilities designed to improve interpretations of the mineralogy and geology of landing sites on Mars. The 1999 Marsokhod Field Experiment (MFE) was a Mars rover simulation designed in part to investigate the utility of visible/near-infrared and thermal infrared field spectrometers to contribute to the remote geological exploration of a Mars analog field site in the California Mojave Desert. The experiment simultaneously investigated the abilities of an off-site science team to effectively analyze and acquire useful imaging and spectroscopic data and to communicate efficiently with rover engineers and an on-site field team to provide meaningful input to rover operations and traverse planning. Experiences gained during the MFE regarding effective communication between different mission operation teams will be useful to upcoming Mars mission teams. Field spectra acquired during the MFE mission exhibited features interpreted at the time as indicative of carbonates (both dolomitic and calcitic), mafic rocks and associated weathering products, and silicic rocks with desert varnish-like coatings. The visible/near-infrared spectra also suggested the presence of organic compounds, including chlorophyll in one rock. Postmission laboratory petrologic and spectral analyses of returned samples confirmed that all rocks identified as carbonates using field measurements alone were calc-silicates and that chlorophyll associated with endolithic organisms was present in the one rock for which it was predicted. Rocks classified from field spectra as silicics and weathered mafics were recognized in the laboratory as metamorphosed monzonites and diorite schists. This discrepancy was likely due to rock coatings sampled by the field spectrometers compared to fresh rock interiors analyzed petrographically, in addition to somewhat different surfaces analyzed by laboratory thermal spectroscopy compared to field

  2. Expression, purification and spectroscopic characterization of the Regulator complex

    Energy Technology Data Exchange (ETDEWEB)

    Nogueira, M.L.C.; Silva, A.L.S.; Camilotti, D.; Silva, C.A.; Sforca, M.L.; Smetana, J.H.C.; Zeri, A.C. [Laboratorio Nacional de Biociencias - LNBIO, Campinas, SP (Brazil); Ospina-Bedoya, M. [Universidad de Antioquia, Medellin (Colombia)

    2012-07-01

    Full text: The mammalian target of rapamycin (mTOR) signaling pathway integrates both intracellular and extracellular signals, serves as a central regulator of cell metabolism in humans and its deregulation is linked to diseases like cancer and diabetes. The small GTPases Rag are mediators of signaling by amino acid (leucine). These GT-Pases are anchored on the surface of the lysosome through an interaction with a complex of three proteins, p18, MP1 and p14, called Ragulator. The p18 protein is responsible for interaction with the lysosomal membrane through its N terminal post translational modification. The objective of this project is to study the interaction of p18 and other components of the Ragulator complex. The p18 protein was expressed in inclusion bodies, which were isolated and solubilized in urea. p18 was renatured with its partners MP1/p14 and this complex, the Ragulator, was subjected to spectroscopic characterization using circular dichroism and dynamic light scattering. (author)

  3. Expression, purification and spectroscopic characterization of the Regulator complex

    International Nuclear Information System (INIS)

    Nogueira, M.L.C.; Silva, A.L.S.; Camilotti, D.; Silva, C.A.; Sforca, M.L.; Smetana, J.H.C.; Zeri, A.C.; Ospina-Bedoya, M.

    2012-01-01

    Full text: The mammalian target of rapamycin (mTOR) signaling pathway integrates both intracellular and extracellular signals, serves as a central regulator of cell metabolism in humans and its deregulation is linked to diseases like cancer and diabetes. The small GTPases Rag are mediators of signaling by amino acid (leucine). These GT-Pases are anchored on the surface of the lysosome through an interaction with a complex of three proteins, p18, MP1 and p14, called Ragulator. The p18 protein is responsible for interaction with the lysosomal membrane through its N terminal post translational modification. The objective of this project is to study the interaction of p18 and other components of the Ragulator complex. The p18 protein was expressed in inclusion bodies, which were isolated and solubilized in urea. p18 was renatured with its partners MP1/p14 and this complex, the Ragulator, was subjected to spectroscopic characterization using circular dichroism and dynamic light scattering. (author)

  4. Characterization of exorings in the infrared

    Science.gov (United States)

    Morel, C.; Pantin, E.; Ferrari, C.

    2012-04-01

    After the discovery of more than 700 exoplanets, numerous future instruments are now designed to characterize their atmospheres, surfaces and surroundings. Do they have moons or rings, like the planets of our solar system? In the solar system, all giant planets are surrounded by rings, so that exorings can be expected around giant exoplanets. Their presence around telluric planets, like super Earths is also an exciting possibility. Indeed, some theories of the formation of the Moon (Cameron & Ward, 1976 [1]) assume Earth once had a ring, and super Earths could even support naturally more extended rings because of their greater density. Moreover, the presence of exorings is closely linked to theories of planetary formation. Since the study of extra-solar planetary systems enables to see planets at different moments of their evolution, being able to also observe rings could contribute to the development of formation theories not only of rings themselves, but also of planets. Different methods can be used to detect and characterize exorings. The transit of an exoplanet similar to Saturn in front of a solar type star could reveal rings like those of Saturn with the Kepler instrument (Barnes and Fortney, 2004[2]). In visible light, a planet with rings would show a lot of signatures when studying the light reflected by the whole system. However, there is no instrument currently capable of seeing them, nor will there be any in the coming years (Arnold and Schneider, 2004 [3]). We chose to study exorings in the infrared, first because the instrumental context is propitious, with forthcoming instruments expected in the infrared domain like MIRI/JWST and METIS/E-ELT, and second, because of the favorable contrast in the infrared between stars and planets. The effects that rings could produce on the observables have been quantified. In particular, spectral signatures are expected, together with longitudinal effects caused by their variable aspect along the planet orbit as

  5. Spectroscopic characterization of manganese-doped alkaline earth

    Indian Academy of Sciences (India)

    The intensity and frequency variations for the characteristic phosphate group vibrations have been correlated with the changes of the structural units present in these glasses. Depolymerization of the phosphate chains in all the glasses is observed with replacement of alkaline earth content by spectroscopic studies.

  6. Infrared spectroscopic study of the synthetic Mg-Ni talc series

    Science.gov (United States)

    Blanchard, Marc; Méheut, Merlin; Delon, Louise; Poirier, Mathilde; Micoud, Pierre; Le Roux, Christophe; Martin, François

    2018-05-01

    Five talc samples [(Mg,Ni)3Si4O10(OH)2] covering the entire Mg-Ni solid solution were synthesized following a recently developed and patented process (Dumas et al., Process for preparing a composition comprising synthetic mineral particles and composition, 2013a; Procédé de préparation d'une composition comprenant des particules minérales synthétiques et composition, 2013b), which produces sub-micron talc particles replying to industrial needs. Near- and mid-infrared spectra were collected and compared to infrared spectra modeled from first-principles calculations based on density functional theory. The good agreement between experimental and theoretical spectra allowed assigning unambiguously all absorption bands. We focused in particular on the four main OH stretching bands, which represent good probes of their local physical and chemical environment. The description of the vibrational modes at the origin of these absorption bands and the theoretical determination of absorption coefficients provide a firm basis for quantifying the talc chemical composition from infrared spectroscopy and for discussing the distribution of divalent cations in the octahedral sheet. Results confirm that these synthetic talc samples have a similar structure as natural talc, with a random distribution of Mg and Ni atoms. They only differ from natural talc by their hydrophilic character, which is due to their large proportion of reactive sites on sheet edges due to sub-micronic size of the particles. Therefore, the contribution on infrared spectra of hydroxyls adsorbed on edge sites has also been investigated by computing the infrared signature of hydroxyls of surface models.

  7. Infrared absorption and Raman scattering spectroscopic studies of condensed ions

    International Nuclear Information System (INIS)

    Dao, N.Q.; Knidiri, M.

    1975-01-01

    Infrared and Raman spectra of the complex K 5 (UO 2 ) 2 F 9 were recorded in the region 4000 to 80 cm -1 . Factor group analysis was used to classify the internal vibrations of the binuclear ion (UO 2 ) 2 F 9 5- . Infrared and Raman spectra were assigned and splitting of the internal modes of the (UO 2 ) 2 F 9 5- anion interpreted. (author)

  8. [Infrared spectroscopic analysis of Guilin watermelon frost products].

    Science.gov (United States)

    Huang, Dong-lan; Chen, Xiao-kang; Xu, Yong-qun; Sun, Su-qin; Zhou, Qun; Lu, Wen-guan

    2012-08-01

    The objective of the present study is to analyze different products of Guilin watermelon frost by Fourier transform infrared spectroscopy (FTIR), second derivative infrared spectroscopy and two-dimensional correlation spectroscopy (2D-IR) under thermal perturbation. The structural information of the samples indicates that samples from the same factory but of different brands had some dissimilarities in the IR spectra, and the type and content of accessories of them were different compared with conventional IR spectra of samples, peaks at 638 and 616 cm(-1) all arise from anhydrous sodium sulfate in watermelon frost spray and watermelon frost capsule; the characteristic absorption peaks of the sucrose, dextrin or other accessories can be seen clearly in the spectra of watermelon frost throat-clearing buccal tablets, watermelon frost throat tablets and watermelon frost lozenge. And the IR spectra of watermelon frost lozenge is very similar to the IR spectra of sucrose, so it can be easily proved that the content of sucrose in watermelon frost lozenge is high. In the 2D-IR correlation spectra, the samples presented the differences in the position, number and relative intensity of autopeaks and correlation peak clusters. Consequently, the macroscopical fingerprint characters of FTIR, second derivative infrared spectra and 2D-IR spectra can not only provide the information about main chemical constituents in medical materials, but also analyze and identify the type and content of accessories in Guilin watermelon frost. In conclusion, the multi-steps IR macro-fingerprint method is rapid, effective, visual and accurate for pharmaceutical research.

  9. Application of spectroscopic techniques to the study of illuminated manuscripts: A survey

    International Nuclear Information System (INIS)

    Pessanha, S.; Manso, M.; Carvalho, M.L.

    2012-01-01

    This work focused on the application of the most relevant spectroscopic techniques used for the characterization of illuminated manuscripts. The historical value of these unique and invaluable artworks, together with the increased awareness concerning the conservation of cultural heritage, prompted the application of analytical techniques to the study of these illuminations. This is essential for the understanding of the artist's working methods, which aids conservation–restoration. The characterization of the pigments may also help assign a probable date to the manuscript. For these purposes, the spectroscopic techniques used so far include those that provide information on the elemental content: X-ray fluorescence, total reflection X-ray fluorescence and scanning electron microscopy coupled with energy-dispersive spectroscopy and laser-induced breakdown spectroscopy. Complementary techniques, such as X-ray diffraction, Fourier transform infrared and Raman spectroscopy, reveal information regarding the compounds present in the samples. The techniques, suitability, technological evolution and development of high-performance detectors, as well as the possibility of microanalysis and the higher sensitivity of the equipment, will also be discussed. Furthermore, issues such as the necessity of sampling, the portability of the equipment and the overall advantages and disadvantages of different techniques will be analyzed. - Highlights: ► The techniques used for studying illuminated manuscripts are described and compared. ► For in situ, non-destructive analysis the most suitable technique is EDXRF. ► For quantitative analysis TXRF is more appropriate. ► Raman spectroscopy is mostly used for pigments identification. ► FTIR was used for the characterization of binders and parchment.

  10. High-Resolution Infrared Spectroscopic Measurements of Comet 2PlEncke: Unusual Organic Composition and Low Rotational Temperatures

    Science.gov (United States)

    Radeva, Yana L.; Mumma, Michael J.; Villanueva, Geronimo L.; Bonev, Boncho P.; DiSanti, Michael A.; A'Hearn, Michael F.; Dello Russo, Neil

    2013-01-01

    We present high-resolution infrared spectroscopic measurements of the ecliptic comet 2P/Encke, observed on 4-6 Nov. 2003 during its close approach to the Earth, using the Near Infrared Echelle Spectrograph on the Keck II telescope. We present flux-calibrated spectra, production rates, and mixing ratios for H2O, CH3OH, HCN, H2CO, C2H2, C2H6, CH4 and CO. Comet 2P/Encke is a dynamical end-member among comets because of its short period of 3.3 years. Relative to "organics-normal" comets, we determined that 2PlEncke is depleted in HCN, H2CO, C2H2, C2H6, CH4 and CO, but it is enriched in CH3OH. We compared mixing ratios of these organic species measured on separate dates, and we see no evidence of macroscopic chemical heterogeneity in the nucleus of 2P/Encke, however, this conclusion is limited by sparse temporal sampling. The depleted abundances of most measured species suggest that 2P/Encke may have formed closer to the young Sun, before its insertion to the Kuiper belt, compared with "organics-normal" comets - as was previously suggested for other depleted comets (e.g. C/1999 S4 (LINEAR)). We measured very low rotational temperatures of 20 - 30 K for H2O, CH3OH and HCN in the near nucleus region of 2P/Encke, which correlate with one of the lowest cometary gas production rates (approx. 2.6 x 10(exp 27) molecules/s) measured thus far in the infrared. This suggests that we are seeing the effects of more efficient radiative cooling, insufficient collisional excitation, and/or inefficient heating by fast H-atoms (and icy grains) in the observed region of the coma. Its extremely short orbital period, very low gas production rate, and classification as an ecliptic comet, make 2PlEncke an important addition to our growing database, and contribute significantly to the establishment of a chemical taxonomy of comets.

  11. VERY STRONG EMISSION-LINE GALAXIES IN THE WFC3 INFRARED SPECTROSCOPIC PARALLEL SURVEY AND IMPLICATIONS FOR HIGH-REDSHIFT GALAXIES

    Energy Technology Data Exchange (ETDEWEB)

    Atek, H.; Colbert, J.; Shim, H. [Spitzer Science Center, Caltech, Pasadena, CA 91125 (United States); Siana, B.; Bridge, C. [Department of Astronomy, Caltech, Pasadena, CA 91125 (United States); Scarlata, C. [Department of Astronomy, University of Minnesota-Twin Cities, Minneapolis, MN 55455 (United States); Malkan, M.; Ross, N. R. [Department of Physics and Astronomy, University of California, Los Angeles, CA (United States); McCarthy, P.; Dressler, A.; Hathi, N. P. [Observatories of the Carnegie Institution for Science, Pasadena, CA 91101 (United States); Teplitz, H. [Infrared Processing and Analysis Center, Caltech, Pasadena, CA 91125 (United States); Henry, A.; Martin, C. [Department of Physics, University of California, Santa Barbara, CA 93106 (United States); Bunker, A. J. [Department of Physics, University of Oxford, Denys Wilkinson Building, Keble Road, Oxford OX1 3RH (United Kingdom); Fosbury, R. A. E. [Space Telescope-European Coordinating Facility, Garching bei Muenchen (Germany)

    2011-12-20

    The WFC3 Infrared Spectroscopic Parallel Survey uses the Hubble Space Telescope (HST) infrared grism capabilities to obtain slitless spectra of thousands of galaxies over a wide redshift range including the peak of star formation history of the universe. We select a population of very strong emission-line galaxies with rest-frame equivalent widths (EWs) higher than 200 A. A total of 176 objects are found over the redshift range 0.35 < z < 2.3 in the 180 arcmin{sup 2} area that we have analyzed so far. This population consists of young and low-mass starbursts with high specific star formation rates (sSFR). After spectroscopic follow-up of one of these galaxies with Keck/Low Resolution Imaging Spectrometer, we report the detection at z = 0.7 of an extremely metal-poor galaxy with 12 + log(O/H) =7.47 {+-} 0.11. After estimating the active galactic nucleus fraction in the sample, we show that the high-EW galaxies have higher sSFR than normal star-forming galaxies at any redshift. We find that the nebular emission lines can substantially affect the total broadband flux density with a median brightening of 0.3 mag, with some examples of line contamination producing brightening of up to 1 mag. We show that the presence of strong emission lines in low-z galaxies can mimic the color-selection criteria used in the z {approx} 8 dropout surveys. In order to effectively remove low-redshift interlopers, deep optical imaging is needed, at least 1 mag deeper than the bands in which the objects are detected. Without deep optical data, most of the interlopers cannot be ruled out in the wide shallow HST imaging surveys. Finally, we empirically demonstrate that strong nebular lines can lead to an overestimation of the mass and the age of galaxies derived from fitting of their spectral energy distribution (SED). Without removing emission lines, the age and the stellar mass estimates are overestimated by a factor of 2 on average and up to a factor of 10 for the high-EW galaxies

  12. Rare-earth metal compounds with a novel ligand 2-methoxycinnamylidenepyruvate: A thermal and spectroscopic approach

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, C.T., E-mail: claudiocarvalho@ufgd.edu.br [Federal University of Grande Dourados, UFGD, 79.804-970 Dourados, MS (Brazil); Oliveira, G.F. [Federal University of Grande Dourados, UFGD, 79.804-970 Dourados, MS (Brazil); Fernandes, J. [Federal University of Grande Dourados, UFGD, 79.804-970 Dourados, MS (Brazil); Federal University of Mato Grosso, UFMT, 78.060-900 Cuiabá, MT (Brazil); Federal University of Goiás, UFG, 74.690-900, Goiânia, GO (Brazil); Institute of Chemistry, UNESP, 14.801-970 Araraquara, SP (Brazil); Siqueira, A.B. [Federal University of Mato Grosso, UFMT, 78.060-900 Cuiabá, MT (Brazil); Ionashiro, E.Y. [Federal University of Goiás, UFG, 74.690-900, Goiânia, GO (Brazil); Ionashiro, M. [Institute of Chemistry, UNESP, 14.801-970 Araraquara, SP (Brazil)

    2016-08-10

    Highlights: • 2-Methoxycinnamylidenepyruvate as a novel ligand for the synthesis of complexes. • Complexes with well-defined structural arrangements. • Thermal decomposition dependent on the nature of the metal ion. • Study by TG/FT-IR and TG/MS of the gaseous products released. • Potential technological application. - Abstract: Compounds of 2-methoxycinnamylidenepyruvate with trivalent lanthanide ions (Tb, Ho, Er, Tm, Yb and Lu) were obtained in solid state and studied mainly in terms of their thermal and spectroscopic properties. The analyses of the characterization were performed by thermogravimetric system coupled to a mass and infrared spectrometer (TG–DTA/MS and TG–DTA/FT-IR), X-ray powder diffractometry, differential scanning calorimetry (DSC), infrared (FT-IR), preliminary study of fluorescence as well as classical technique of titration with EDTA. From these results, it was possible to establish the stoichiometry, thermal behavior, hydration water content, and the gaseous products released in the thermal decomposition steps, and suggest the type of metal-ligand coordination.

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

    Czech Academy of Sciences Publication Activity Database

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

    2016-01-01

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

  14. A spectroscopic study of absorption and emission features of interstellar dust components

    International Nuclear Information System (INIS)

    Zwet, G.P. van der.

    1986-01-01

    The spectroscopic properties of silicate interstellar dust grains are the subject of this thesis. The process of accretion and photolysis is simulated in the laboratory by condensing mixtures of gases onto a cold substrate (T ∼ 12 K) in a vacuum chamber and photolyzing these mixtures with a vacuum ultraviolet source. Alternatively, the gas mixtures may be passed through a microwave discharge first, before deposition. The spectroscopic properties of the ices are investigated using ultraviolet, visible and infrared spectroscopy. (Auth.)

  15. The importance of spectroscopy for infrared multiphoton excitation

    International Nuclear Information System (INIS)

    Fuss, W.; Kompa, K.L.

    1980-07-01

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

  16. 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.

  17. Tree Canopy Characterization for EO-1 Reflective and Thermal Infrared Validation Studies: Rochester, New York

    Science.gov (United States)

    Ballard, Jerrell R., Jr.; Smith, James A.

    2002-01-01

    The tree canopy characterization presented herein provided ground and tree canopy data for different types of tree canopies in support of EO-1 reflective and thermal infrared validation studies. These characterization efforts during August and September of 2001 included stem and trunk location surveys, tree structure geometry measurements, meteorology, and leaf area index (LAI) measurements. Measurements were also collected on thermal and reflective spectral properties of leaves, tree bark, leaf litter, soil, and grass. The data presented in this report were used to generate synthetic reflective and thermal infrared scenes and images that were used for the EO-1 Validation Program. The data also were used to evaluate whether the EO-1 ALI reflective channels can be combined with the Landsat-7 ETM+ thermal infrared channel to estimate canopy temperature, and also test the effects of separating the thermal and reflective measurements in time resulting from satellite formation flying.

  18. Passive Spectroscopic Diagnostics for Magnetically-confined Fusion Plasmas

    International Nuclear Information System (INIS)

    Stratton, B.C.; Bitter, M.; Hill, K.W.; Hillis, D.L.; Hogan, J.T.

    2007-01-01

    Spectroscopy of radiation emitted by impurities and hydrogen isotopes plays an important role in the study of magnetically-confined fusion plasmas, both in determining the effects of impurities on plasma behavior and in measurements of plasma parameters such as electron and ion temperatures and densities, particle transport, and particle influx rates. This paper reviews spectroscopic diagnostics of plasma radiation that are excited by collisional processes in the plasma, which are termed 'passive' spectroscopic diagnostics to distinguish them from 'active' spectroscopic diagnostics involving injected particle and laser beams. A brief overview of the ionization balance in hot plasmas and the relevant line and continuum radiation excitation mechanisms is given. Instrumentation in the soft X-ray, vacuum ultraviolet, ultraviolet, visible, and near-infrared regions of the spectrum is described and examples of measurements are given. Paths for further development of these measurements and issues for their implementation in a burning plasma environment are discussed.

  19. Passive Spectroscopic Diagnostics for Magnetically-confined Fusion Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Stratton, B. C.; Biter, M.; Hill, K. W.; Hillis, D. L.; Hogan, J. T.

    2007-07-18

    Spectroscopy of radiation emitted by impurities and hydrogen isotopes plays an important role in the study of magnetically-confined fusion plasmas, both in determining the effects of impurities on plasma behavior and in measurements of plasma parameters such as electron and ion temperatures and densities, particle transport, and particle influx rates. This paper reviews spectroscopic diagnostics of plasma radiation that are excited by collisional processes in the plasma, which are termed 'passive' spectroscopic diagnostics to distinguish them from 'active' spectroscopic diagnostics involving injected particle and laser beams. A brief overview of the ionization balance in hot plasmas and the relevant line and continuum radiation excitation mechanisms is given. Instrumentation in the soft X-ray, vacuum ultraviolet, ultraviolet, visible, and near-infrared regions of the spectrum is described and examples of measurements are given. Paths for further development of these measurements and issues for their implementation in a burning plasma environment are discussed.

  20. Chemometric characterization of the hydrogen bonding complexes of secondary amides and aromatic hydrocarbons

    OpenAIRE

    Jović, Branislav; Nikolić, Aleksandar; Petrović, Slobodan

    2012-01-01

    The paper reports the results of the study of hydrogen bonding complexes between secondary amides and various aromatic hydrocarbons. The possibility of using chemometric methods was investigated in order to characterize N-H•••π hydrogen bonded complexes. Hierarchical clustering and Principal Component Analysis (PCA) have been applied on infrared spectroscopic and Taft parameters of 43 N-substituted amide complexes with different aromatic hydrocarbons. Results obtained in this report are...

  1. Fourier transform infrared spectroscopic estimation of crystallinity in ...

    Indian Academy of Sciences (India)

    We present here optical properties and crystallinity index of quartz (SiO2) in natural rocks samples from the Mikir and Khasi hills, Assam, India. Infrared spectroscopy has been used to study the structure of quartz in rock samples and estimate the mining quality of quartz mineral, which is substantiated by calculating the ...

  2. All-photonic drying and sintering process via flash white light combined with deep-UV and near-infrared irradiation for highly conductive copper nano-ink

    Science.gov (United States)

    Hwang, Hyun-Jun; Oh, Kyung-Hwan; Kim, Hak-Sung

    2016-01-01

    We developed an ultra-high speed photonic sintering method involving flash white light (FWL) combined with near infrared (NIR) and deep UV light irradiation to produce highly conductive copper nano-ink film. Flash white light irradiation energy and the power of NIR/deep UV were optimized to obtain high conductivity Cu films. Several microscopic and spectroscopic characterization techniques such as scanning electron microscopy (SEM), a x-ray diffraction (XRD), and Fourier-transform infrared (FT-IR) spectroscopy were employed to characterize the Cu nano-films. Optimally sintered Cu nano-ink films produced using a deep UV-assisted flash white light sintering technique had the lowest resistivity (7.62 μΩ·cm), which was only 4.5-fold higher than that of bulk Cu film (1.68 μΩ•cm). PMID:26806215

  3. Spectroscopic characterization of III-V semiconductor nanomaterials

    Science.gov (United States)

    Crankshaw, Shanna Marie

    through a novel spectroscopic technique first formulated for the rather different purpose of dispersion engineering for slow-light schemes. The frequency-resolved technique combined with the unusual (110) quantum wells in a furthermore atypical waveguide experimental geometry has revealed fascinating behavior of electron spin splitting which points to the possibility of optically orienting electron spins with linearly polarized light---an experimental result supporting a theoretical description of the phenomenon itself only a few years old. Lastly, to explore a space of further-restricted dimensionality, the final chapters describe InP semiconductor nanowires with dimensions small enough to be considered truly one-dimensional. Like the bulk GaAs of the first few chapters, the InP nanowires here crystallize in a wurtzite structure. In the InP nanowire case, though, the experimental techniques explored for characterization are temperature-dependent time-integrated photoluminescence at the single-wire level (including samples with InAsP insertions) and time-resolved photoluminescence at the ensemble level. The carrier dynamics revealed through these time-resolved studies are the first of their kind for wurtzite InP nanowires. The chapters are thus ordered as a progression from three (bulk), to two (quantum well), to one (nanowire), to zero dimensions (axially-structured nanowire), with the uniting theme the emphasis on connecting the semiconductor nanomaterials' crystallinity to its exhibited properties by relevant experimental spectroscopic techniques, whether these are standard methods or effectively invented for the case at hand.

  4. Subtask 1.11 - Spectroscopic field screening of hazardous waste and toxic spills. Final report

    International Nuclear Information System (INIS)

    Grisanti, A.A.

    1997-10-01

    Techniques for the field characterization of soil contamination due to spillage of hazardous waste or toxic chemicals are time-consuming and expensive. Thus more economical, less time-intensive methods are needed to facilitate rapid field screening of contaminated sites. The overall objective of this project is to study the feasibility of using an evanescent field absorbance sensor Fourier transform infrared spectroscopic sensor coupled with cone penetrometry as a field screening method. The specific objectives of this project are as follows: design an accessory for use with FT-IR that interfaces the spectrometer to a cone penetrometer; characterize the response of the FT-IR accessory to selected hydrocarbons in a laboratory-simulated field environment; and determine the ability of the FT-IR-CPT instrument to measure hydrocarbon contamination in soil by direct comparison with a reference method (e.g., Soxhlet extraction followed by gas chromatography) to quantify hydrocarbons from the same soil

  5. Fourier–transform infrared spectroscopic characterization of natu ...

    Indian Academy of Sciences (India)

    WINTEC

    Indian Academy of Sciences. 155. Fourier–transform ... Department of Physics, Dibrugarh University, Dibrugarh 786 004, India ... glasses, which are formed by shock metamorphism. ... glass-lined tubes with sand adhering to the outside. Rock.

  6. Controlling plasmonic properties of epitaxial thin films of indium tin oxide in the near-infrared region

    Science.gov (United States)

    Kamakura, R.; Fujita, K.; Murai, S.; Tanaka, K.

    2015-06-01

    Epitaxial thin films of indium tin oxide (ITO) were grown on yttria-stabilized zirconia single-crystal substrates by using a pulsed laser deposition to examine their plasmonic properties. The dielectric function of ITO was characterized by spectroscopic ellipsometry. Through the concentration of SnO2 in the target, the carrier concentration in the films was modified, which directly leads to the tuning of the dielectric function in the near-infrared region. Variable-angle reflectance spectroscopy in the Kretschmann geometry shows the dip in the reflection spectrum of p-polarized light corresponding to the excitation of surface plasmon polaritions (SPPs) in the near-infrared region. The excitation wavelength of the SPPs was shifted with changing the dielectric functions of ITO, which is reproduced by the calculation using transfer matrix method.

  7. A monitoring campaign for Luhman 16AB. I. Detection of resolved near-infrared spectroscopic variability

    Energy Technology Data Exchange (ETDEWEB)

    Burgasser, Adam J. [Center for Astrophysics and Space Science, University of California San Diego, La Jolla, CA 92093 (United States); Gillon, Michaël; Jehin, E.; Delrez, L.; Opitom, C. [Institute of Astrophysics and Géophysique, Université of Liège, allée du 6 Août 17, B-4000 Liège (Belgium); Faherty, Jacqueline K. [Department of Terrestrial Magnetism, Carnegie Institution of Washington, 5241 Broad Branch Road NW, Washington, DC 20015 (United States); Radigan, Jacqueline [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Triaud, Amaury H. M. J. [Massachusetts Institute of Technology, Kavli Institute for Astrophysics and Space Research, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Plavchan, Peter [NASA Exoplanet Science Institute, California Institute of Technology, M/C 100-22, 770 South Wilson Avenue, Pasadena, CA 91125 (United States); Street, Rachel, E-mail: aburgasser@ucsd.edu [LCOGT, 6740 Cortona Drive, Suite 102, Goleta, CA 93117 (United States)

    2014-04-10

    We report resolved near-infrared spectroscopic monitoring of the nearby L dwarf/T dwarf binary WISE J104915.57–531906.1AB (Luhman 16AB), as part of a broader campaign to characterize the spectral energy distribution and temporal variability of this system. A continuous 45 minute sequence of low-resolution IRTF/SpeX data spanning 0.8-2.4 μm were obtained, concurrent with combined-light optical photometry with ESO/TRAPPIST. Our spectral observations confirm the flux reversal of this binary, and we detect a wavelength-dependent decline in the relative spectral fluxes of the two components coincident with a decline in the combined-light optical brightness of the system over the course of the observation. These data are successfully modeled as a combination of achromatic (brightness) and chromatic (color) variability in the T0.5 Luhman 16B, consistent with variations in overall cloud opacity; and no significant variability was found in L7.5 Luhman 16A, consistent with recent resolved photometric monitoring. We estimate a peak-to-peak amplitude of 13.5% at 1.25 μm over the full light curve. Using a simple two-spot brightness temperature model for Luhman 16B, we infer an average cold covering fraction of ≈30%-55%, varying by 15%-30% over a rotation period assuming a ≈200-400 K difference between hot and cold regions. We interpret these variations as changes in the covering fraction of a high cloud deck and corresponding 'holes' which expose deeper, hotter cloud layers, although other physical interpretations are possible. A Rhines scale interpretation for the size of the variable features explains an apparent correlation between period and amplitude for Luhman 16B and the variable T dwarfs SIMP 0136+0933 and 2MASS J2139+0220, and predicts relatively fast winds (1-3 km s{sup –1}) for Luhman 16B consistent with light curve evolution on an advective time scale (1-3 rotation periods). The strong variability observed in this flux reversal brown dwarf pair

  8. Morphological and spectroscopic analysis of cellulose nanocrystals extracted from oil palm empty fruit bunch fiber

    Energy Technology Data Exchange (ETDEWEB)

    Dasan, Y. K., E-mail: aamir.bhat@petronas.com.my; Bhat, A. H., E-mail: aamir.bhat@petronas.com.my [Department of Fundamental and Applied Sciences, Universiti Teknologi PETRONAS, 31750, Bandar Seri Iskandar, Perak (Malaysia); Faiz, A., E-mail: faizahmad@petronas.com.my [Department of Mechanical Engineering, Universiti Teknologi PETRONAS, 31750, Bandar Seri Iskandar, Perak (Malaysia)

    2015-07-22

    This work evaluates the use of oil palm empty fruit bunch (OPEFB) fiber as a source of cellulose to obtain nanocrystalline cellulose (CNC) by acid hydrolysis reaction. The raw OPEFB fibers were pretreated with aqueous Sodium hydroxide at 80°C followed by bleaching treatment and further hydrolyzed with Sulphuric acid at 45°C with limited range of hydrolysis time and acid concentration. The resulting CNC’s were characterized for spectroscopic, crystallographic and morphological properties using Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffractometer (XRD), Transmission Electron Microscope (TEM) and Atomic Force Microscopy (AFM). Finding of this study shows that the properties of CNC’s are strongly dependent on the hydrolysis time and acid concentration.

  9. Initial Technology Assessment for the Large UV-Optical-Infrared (LUVOIR) Mission Concept Study

    Science.gov (United States)

    Bolcar, Matthew R.; Feinberg, Lee D.; France, Kevin; Rauscher, Bernard J.; Redding, David; Schiminovich, David

    2016-01-01

    The NASA Astrophysics Divisions 30-Year Roadmap prioritized a future large-aperture space telescope operating in the ultra-violet-optical-infrared wavelength regime. The Association of Universities for Research in Astronomy envisioned a similar observatory, the High Definition Space Telescope. And a multi-institution group also studied the Advanced Technology Large Aperture Space Telescope. In all three cases, a broad science case is outlined, combining general astrophysics with the search for bio-signatures via direct-imaging and spectroscopic characterization of habitable exo-planets. We present an initial technology assessment that enables such an observatory that is currently being studied for the 2020 Decadal Survey by the Large UV-Optical Infrared (LUVOIR) surveyor Science and Technology Definition Team. We present here the technology prioritization for the 2016 technology cycle and define the required technology capabilities and current state-of-the-art performance. Current, planned, and recommended technology development efforts are also reported.

  10. Infrared and Raman spectroscopic study of ion pairing of strontium(II ...

    African Journals Online (AJOL)

    ABSTRACT. Infrared and Raman spectroscopy techniques have been used to study the ionic interactions of strontium(II) and barium(II) with thiocyanate ion in liquid ammonia. A number of bands were observed in both ν(CN) and ν(CS) regions of infrared and Raman spectra and these were assigned to 1:1 contact ion pair, ...

  11. Synthesis, structural characterization, Hirshfeld surface analysis and spectroscopic studies of cadmium (II) chloride complex with 4-hydroxy-1-methylpiperidine

    Energy Technology Data Exchange (ETDEWEB)

    Soudani, S. [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Ferretti, V. [Department of Chemical and Pharmaceutical Sciences and Center for Structural Diffractometry, via Fossato di Mortara 17, I-44121 Ferrara (Italy); Jelsch, C. [CRM2, CNRS, Institut Jean Barriol, Université de Lorraine, Vandoeuvre les Nancy CEDEX (France); Lefebvre, F. [Laboratoire de Chimie Organométallique de Surface (LCOMS), Ecole Supérieure de Chimie Physique Electronique, 69626 Villeurbanne Cedex (France); Nasr, C. Ben, E-mail: cherif_bennasr@yahoo.fr [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna (Tunisia)

    2016-05-15

    The chemical preparation, crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the novel cadmium (II) 4-hydroxy-1-methylpiperidine complex, Cd{sub 4}Cl{sub 10}(C{sub 6}H{sub 14}NO){sub 2}·2H{sub 2}O, have been reported. The atomic arrangement can be described as built up by an anionic framework, formed by edge sharing CdCl{sub 6} and CdCl{sub 5}O octahedral linear chains spreading along the a-axis. These chains are interconnected by water molecules via O–H⋯Cl and O–H⋯O hydrogen bonds to form layers parallel to (011) plane. The organic cations are inserted between layers through C–H⋯Cl hydrogen bonds. Investigation of intermolecular interactions and crystal packing via Hirshfeld surface analysis reveals that the H{sub C}⋯Cl and H{sub C}⋯H{sub C} intermolecular interactions are the most abundant contacts of the organic cation in the crystal packing. The statistical analysis of crystal contacts reveals the driving forces in the packing formation. The {sup 13}C and {sup 15}N CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the NMR peaks and of the IR bands.

  12. Changes in cerebral blood flow during olfactory stimulation in patients with multiple chemical sensitivity: a multi-channel near-infrared spectroscopic study.

    Directory of Open Access Journals (Sweden)

    Kenichi Azuma

    Full Text Available Multiple chemical sensitivity (MCS is characterized by somatic distress upon exposure to odors. Patients with MCS process odors differently from controls. This odor-processing may be associated with activation in the prefrontal area connecting to the anterior cingulate cortex, which has been suggested as an area of odorant-related activation in MCS patients. In this study, activation was defined as a significant increase in regional cerebral blood flow (rCBF because of odorant stimulation. Using the well-designed card-type olfactory test kit, changes in rCBF in the prefrontal cortex (PFC were investigated after olfactory stimulation with several different odorants. Near-infrared spectroscopic (NIRS imaging was performed in 12 MCS patients and 11 controls. The olfactory stimulation test was continuously repeated 10 times. The study also included subjective assessment of physical and psychological status and the perception of irritating and hedonic odors. Significant changes in rCBF were observed in the PFC of MCS patients on both the right and left sides, as distinct from the center of the PFC, compared with controls. MCS patients adequately distinguished the non-odorant in 10 odor repetitions during the early stage of the olfactory stimulation test, but not in the late stage. In comparison to controls, autonomic perception and negative affectivity were poorer in MCS patients. These results suggest that prefrontal information processing associated with odor-processing neuronal circuits and memory and cognition processes from past experience of chemical exposure play significant roles in the pathology of this disorder.

  13. Experimental characterization of dielectric-loaded plasmonic waveguide-racetrack resonators at near-infrared wavelengths

    DEFF Research Database (Denmark)

    Garcia, Cesar; Coello, Victor; Han, Zhanghua

    2012-01-01

    Dielectric-loaded plasmonic waveguide-racetrack resonators (WRTRs) were designed and fabricated for operating at near-infrared wavelengths (750–850 nm) and characterized using leakage-radiation microscopy. The transmission spectra of the WRTRs are found experimentally and compared to the calculat...

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

    Science.gov (United States)

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

    2018-01-01

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

  15. Infrared Spectroscopy as a Chemical Fingerprinting Tool

    Science.gov (United States)

    Huff, Timothy L.

    2003-01-01

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

  16. Function of minerals in the natural radioactivity level of Vaigai River sediments, Tamilnadu, India--spectroscopical approach.

    Science.gov (United States)

    Ramasamy, V; Paramasivam, K; Suresh, G; Jose, M T

    2014-01-03

    Using Gamma ray and Fourier Transform Infrared (FTIR) spectroscopic techniques, level of natural radioactivity ((238)U, (232)Th and (40)K) and mineralogical characterization of Vaigai River sediments have been analyzed with the view of evaluating the radiation risk and its relation to available minerals. Different radiological parameters are calculated to know the entire radiological characterization. The average of activity concentrations and all radiological parameters are lower than the recommended safety limit. However, some sites are having higher radioactivity values than the safety limit. From the FTIR spectroscopic technique, the minerals such as quartz, microcline feldspar, orthoclase feldspar, kaolinite, gibbsite, calcite, montmorillonite and organic carbon are identified and they are characterized. The extinction co-efficient values are calculated to know the relative distribution of major minerals such as quartz, microcline feldspar, orthoclase feldspar and kaolinite. The calculated values indicate that the amount of quartz is higher than orthoclase feldspar, microcline feldspar and much higher than kaolinite. Crystallinity index is calculated to know the crystalline nature of quartz and the result indicates that the presence of ordered crystalline quartz in the present sediment. The role of minerals in the level of radioactivity is assessed by multivariate statistical analysis (Pearson's correlation and Cluster analysis). The statistical analysis confirms that the clay mineral kaolinite is the major factor than other major minerals to induce the important radioactivity variables such as absorbed dose rate and concentrations of (232)Th and (238)U. Copyright © 2013 Elsevier B.V. All rights reserved.

  17. Yb3+:Sr5(VO4)3F: Crystal growth, spectroscopic characterization and laser development

    International Nuclear Information System (INIS)

    Bustamante, Andrea Nora Pino

    1999-01-01

    Crystal growth, spectroscopic characterization and laser development of Yb 3+ :SVAP [Sr 5 (VO 4 ) 3 F] was performed to demonstrate for the first time, operation of tunable laser emission centered at 1120 nm. Initially, SVAP crystals were grown with high dopant concentrations, up to 6.0 mol % of Yb 2 O 3 in the melt, in order to investigate the material for potential laser operation at a new laser wavelength. Additional research was performed to alleviate highly doped SVAP crystals of defects previously observed. Basic spectroscopic characterization including absorption and luminescent properties were measured to better understand the behavior of Yb 3+ ions in SVAP. Based upon these studies, discussion of the 1120 nm laser transition is presented as it arises from a ground state vibrational level. Investigations of the charge compensation process and the optical parameters as a function of dopant concentration are also presented. The laser development of Yb 3+ :SVAP included continuous and pulsed modes of operation of the 1044 nm and 1120 nm transitions. Initial laser action of the 1044 nm transition was achieved using a Yi: Saphire laser pump source in order to compare with previously results. Further development of a diode-pumped Yb 3+ :SVAP laser system demonstrated continuously tunable laser operation from 1103 nm for the first time. The laser investigations also proved that this high gain media does provide continuous wave laser action at 1044 nm and 1120 simultaneously without significant gain depletion. (author)

  18. QUANTITATIVE FOURIER TRANSFORM INFRARED SPECTROSCOPIC INVESTIGATION OF HUMIC SUBSTANCE FUNCTIONAL GROUP COMPOSITION

    Science.gov (United States)

    Infrared (IR) spectroscopy has been widely used for the structural investigation of humic substances. Although Fourier Transform Infrared (FTIR) instrumentation has been available for sometime, relatively little work with these instruments has been reported for humic substances,...

  19. Initial Technology Assessment for the Large-Aperture UV-Optical-Infrared (LUVOIR) Mission Concept Study

    Science.gov (United States)

    Bolcar, Matthew R.; Feinberg, Lee; France, Kevin; Rauscher, Bernard J.; Redding, David; Schiminovich, David

    2016-01-01

    The NASA Astrophysics Division's 30-Year Roadmap prioritized a future large-aperture space telescope operating in the ultra-violet/optical/infrared wavelength regime. The Association of Universities for Research in Astronomy envisioned a similar observatory, the High Definition Space Telescope. And a multi-institution group also studied the Advanced Technology Large Aperture Space Telescope. In all three cases, a broad science case is outlined, combining general astrophysics with the search for biosignatures via direct-imaging and spectroscopic characterization of habitable exoplanets. We present an initial technology assessment that enables such an observatory that is currently being studied for the 2020 Decadal Survey by the Large UV/Optical/Infrared (LUVOIR) surveyor Science and Technology Definition Team. We present here the technology prioritization for the 2016 technology cycle and define the required technology capabilities and current state-of-the-art performance. Current, planned, and recommended technology development efforts are also reported.

  20. Active and passive infrared thermography applied to the detection and characterization of hidden defects in structure

    Science.gov (United States)

    Dumoulin, Jean

    2013-04-01

    Infrared thermography for Non Destructive Testing (NDT) has encountered a wide spreading this last 2 decades, in particular thanks to emergence on the market of low cost uncooled infrared camera. So, infrared thermography is not anymore a measurement technique limited to laboratory application. It has been more and more involved in civil engineering and cultural heritage applications, but also in many other domains, as indicated by numerous papers in the literature. Nevertheless, laboratory, measurements are done as much as possible in quite ideal conditions (good atmosphere conditions, known properties of materials, etc.), while measurement on real site requires to consider the influence of not controlled environmental parameters and additional unknown thermal properties. So, dedicated protocol and additional sensors are required for measurement data correction. Furthermore, thermal excitation is required to enhance the signature of defects in materials. Post-processing of data requires to take into account the protocol used for the thermal excitation and sometimes its nature to avoid false detection. This analysis step is based on signal and image processing tool and allows to carry out the detection. Characterization of anomalies detected at the previous step can be done by additional signal processing in particular for manufactured objects. The use of thermal modelling and inverse method allows to determine properties of the defective area. The present paper will first address a review of some protocols currently in use for field measurement with passive and/or active infrared measurements. Illustrations in various experiments carried out on civil engineering structure will be shown and discussed. In a second part, different post-processing approaches will be presented and discussed. In particular, a review of the most standard processing methods like Fast Fourier Analysis, Principal Components Analysis, Polynomial Decomposition, defect characterization using

  1. Spectroscopic and thermal characterization of bovine enamel and dentine using the photoacoustic effect

    International Nuclear Information System (INIS)

    Stolf, Sandro Fernando

    2003-01-01

    The optical and thermal properties of dental tissues determine the nature and extent of the tissue response through the processes of absorption, transmission, reflection and scattering of the laser light and the heat produced by the absorption of that light. The spectroscopic characterization of bovine dentine and enamel, and the determination of the thermal diffusivity were the aim of this study. The photoacoustic spectra from these tissues were obtained in the Near-Infrared range 900 - 2500 nm, which is the clinical range for odontological application of most lasers. Photoacoustic spectra were taken from block, slices and powder of enamel and dentine. Also photoacoustic spectra were registered before and after 2, 5 and 10 h of topical fluoride (2.26%) application. Using the same technique spectra were taken from dentine and enamel after irradiation with Nd:YAG, Er:YAG, Ho:YLF and CO 2 . It is evident from the results that the presence of O-H in the composition of hydroxyapatite and the water present in the teeth tissue make the obtention of spectrum from components other than O-H bond a very difficult task. In this way, only bands assigned to overtones and combinations of O-H stretch were observed. The thermal diffusivity of the bovine dentine was also measured using the photoacoustic technique. The thermal diffusivity is the physical quantity which measures the rate of heat diffusion throughout the sample. For higher values of the thermal diffusivity the heat diffusion and temperature rise will be faster. As there is many studies devoted to the processes of heat transfer throughout dental tissues using bovine teeth, it is important the determination of its thermal diffusivity. The measured value was found to be a = 2.0 (±0.1).1O -3 cm 2 /s for the both direction, perpendicular and parallel to the dentinal tubules. These a lues indicate that there is no difference between the thermal diffusivities for the both directions. (author)

  2. The infrared spectrum of asteroid 433 Eros

    Science.gov (United States)

    Larson, H. P.; Fink, U.; Treffers, R. R.; Gautier, T. N., III

    1976-01-01

    The mineralogical composition of asteroid Eros has been determined from its infrared spectrum (0.9-2.7 micrometers; 28/cm resolution). Major minerals include metallic Ni-Fe and pyroxene; no spectroscopic evidence for olivine or plagioclase feldspar was found. The IR spectrum of Eros is most consistent with a stony-iron composition.

  3. Enzymatic and spectroscopic properties of a thermostable [NiFe]‑hydrogenase performing H2-driven NAD+-reduction in the presence of O2.

    Science.gov (United States)

    Preissler, Janina; Wahlefeld, Stefan; Lorent, Christian; Teutloff, Christian; Horch, Marius; Lauterbach, Lars; Cramer, Stephen P; Zebger, Ingo; Lenz, Oliver

    2018-01-01

    Biocatalysts that mediate the H 2 -dependent reduction of NAD + to NADH are attractive from both a fundamental and applied perspective. Here we present the first biochemical and spectroscopic characterization of an NAD + -reducing [NiFe]‑hydrogenase that sustains catalytic activity at high temperatures and in the presence of O 2 , which usually acts as an inhibitor. We isolated and sequenced the four structural genes, hoxFUYH, encoding the soluble NAD + -reducing [NiFe]‑hydrogenase (SH) from the thermophilic betaproteobacterium, Hydrogenophilus thermoluteolus TH-1 T (Ht). The HtSH was recombinantly overproduced in a hydrogenase-free mutant of the well-studied, H 2 -oxidizing betaproteobacterium Ralstonia eutropha H16 (Re). The enzyme was purified and characterized with various biochemical and spectroscopic techniques. Highest H 2 -mediated NAD + reduction activity was observed at 80°C and pH6.5, and catalytic activity was found to be sustained at low O 2 concentrations. Infrared spectroscopic analyses revealed a spectral pattern for as-isolated HtSH that is remarkably different from those of the closely related ReSH and other [NiFe]‑hydrogenases. This indicates an unusual configuration of the oxidized catalytic center in HtSH. Complementary electron paramagnetic resonance spectroscopic analyses revealed spectral signatures similar to related NAD + -reducing [NiFe]‑hydrogenases. This study lays the groundwork for structural and functional analyses of the HtSH as well as application of this enzyme for H 2 -driven cofactor recycling under oxic conditions at elevated temperatures. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Quantitative characterization of chitosan in the skin by Fourier-transform infrared spectroscopic imaging and ninhydrin assay: application in transdermal sciences.

    Science.gov (United States)

    Nawaz, A; Wong, T W

    2016-07-01

    The chitosan has been used as the primary excipient in transdermal particulate dosage form design. Its distribution pattern across the epidermis and dermis is not easily accessible through chemical assay and limited to radiolabelled molecules via quantitative autoradiography. This study explored Fourier-transform infrared spectroscopy imaging technique with built-in microscope as the means to examine chitosan molecular distribution over epidermis and dermis with the aid of histology operation. Fourier-transform infrared spectroscopy skin imaging was conducted using chitosan of varying molecular weights, deacetylation degrees, particle sizes and zeta potentials, obtained via microwave ligation of polymer chains at solution state. Both skin permeation and retention characteristics of chitosan increased with the use of smaller chitosan molecules with reduced acetyl content and size, and increased positive charge density. The ratio of epidermal to dermal chitosan content decreased with the use of these chitosan molecules as their accumulation in dermis (3.90% to 18.22%) was raised to a greater extent than epidermis (0.62% to 1.92%). A larger dermal chitosan accumulation nonetheless did not promote the transdermal polymer passage more than the epidermal chitosan. A small increase in epidermal chitosan content apparently could fluidize the stratum corneum and was more essential to dictate molecular permeation into dermis and systemic circulation. The histology technique aided Fourier-transform infrared spectroscopy imaging approach introduces a new dimension to the mechanistic aspect of chitosan in transdermal delivery. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

  5. The HITRAN2016 molecular spectroscopic database

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, I. E.; Rothman, L. S.; Hill, C.; Kochanov, R. V.; Tan, Y.; Bernath, P. F.; Birk, M.; Boudon, V.; Campargue, A.; Chance, K. V.; Drouin, B. J.; Flaud, J. -M.; Gamache, R. R.; Hodges, J. T.; Jacquemart, D.; Perevalov, V. I.; Perrin, A.; Shine, K. P.; Smith, M. -A. H.; Tennyson, J.; Toon, G. C.; Tran, H.; Tyuterev, V. G.; Barbe, A.; Császár, A. G.; Devi, V. M.; Furtenbacher, T.; Harrison, J. J.; Hartmann, J. -M.; Jolly, A.; Johnson, T. J.; Karman, T.; Kleiner, I.; Kyuberis, A. A.; Loos, J.; Lyulin, O. M.; Massie, S. T.; Mikhailenko, S. N.; Moazzen-Ahmadi, N.; Müller, H. S. P.; Naumenko, O. V.; Nikitin, A. V.; Polyansky, O. L.; Rey, M.; Rotger, M.; Sharpe, S. W.; Sung, K.; Starikova, E.; Tashkun, S. A.; Auwera, J. Vander; Wagner, G.; Wilzewski, J.; Wcisło, P.; Yu, S.; Zak, E. J.

    2017-12-01

    This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is comprised of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 200 additional significant molecules have been added to the database.

  6. Spectroscopy and near infrared upconversion of Er{sup 3+}-doped TZNT glasses

    Energy Technology Data Exchange (ETDEWEB)

    Venkata Krishnaiah, K. [Department of Physics, Sri Venkateswara University, Tirupati 517502 (India); Marques-Hueso, J. [Institute of Sensors, Signals and Systems & Institute of Photonics and Quantum Sciences, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom); Suresh, K.; Venkataiah, G. [Department of Physics, Sri Venkateswara University, Tirupati 517502 (India); Richards, B.S. [Light Technology Institute (LTI), Karlsruhe Institute of Technology, Engesserstrasse 13, 76131 Karlsruhe (Germany); Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Jayasankar, C.K., E-mail: ckjaya@yahoo.com [Department of Physics, Sri Venkateswara University, Tirupati 517502 (India)

    2016-01-15

    In this paper we report on the near infrared (NIR) upconversion (UC) and spectroscopic properties of erbium (Er{sup 3+})-doped TeO{sub 2}–ZnO–Nb{sub 2}O{sub 5}–TiO{sub 2} (TZNT) oxide glasses. Judd–Ofelt theory has been applied to investigate the intensity parameters (Ω{sub λ}, λ=2, 4 and 6) which are used to derive radiative properties of the fluorescent levels. The different glasses present high refractive indices, low dispersion and Abbe numbers, as determined by variable angle spectroscopic ellipsometry. Under 980 nm excitation, the NIR emission profile and full width at half maximum have been studied in a broad range of Er{sup 3+} concentrations (0.01–3.0 mol%). On the other side, NIR UC has been obtained by exciting at 1523 nm, showing an increase of the intensity with Er{sup 3+} ion density in the studied range. The decay curves of the {sup 4}I{sub 13/2} level exhibit single exponential nature for all the different concentrations. The lifetime of the {sup 4}I{sub 13/2} level has been found to decrease (3.73–1.20 ms) after an initial increase (3.65–3.73 ms) with increasing of Er{sup 3+} ion concentration. The TZNT samples show broadband UC emission at 1.0 µm, which match with the band gap of silicon. This reveals that the investigated glasses could find application in photonics, for example non-linear optics and photovoltaic’s. - Highlights: • The Er{sup 3+}:TZNT glasses have been synthesized and optically characterized. • Refractive index and Abbe number of the TZNT glasses were measured by Ellipsometry. • Near infrared emission (1400–1600 nm) has been obtained under 980 nm excitation. • Near infrared upconversion at 980 nm has been investigated under 1523 nm excitation.

  7. Infrared observations of RS CVn stars

    Science.gov (United States)

    Berriman, G.; De Campli, W. M.; Werner, M. W.; Hatchett, S. P.

    1983-01-01

    The paper presents infrared photometry of the RS CVn binary stars AR Lac (1.2-10 microns) and MM Her (1.2-3.5 microns) as they egressed from their primary and secondary eclipses; of the eclipsing systems RS CVn and Z Her at maximum light (1.2-10 microns) and of the non-eclipsing systems UX Ari and HR 1099 (1.2-10 microns). An analysis of these and published V data based on flux ratio diagrams (linear analogues of color-color diagrams) shows that G and K stars supply the infrared light of these systems. In AR Lac, the combined light of a G5-K0 subgiant and either a late F dwarf or an early F subgiant can account for the observed visual and infrared light curves. None of these systems shows infrared emission from circumstellar matter. This result is simply understood: dust grains would not be expected to form in the physical conditions surrounding the subgiant, and the corona and chromosphere (whose properties have been deduced from spectroscopic X-ray observations) should not produce appreciable infrared emission.

  8. Ag-doped CdO nanocatalysts: Preparation, characterization and catechol oxidase activity

    Science.gov (United States)

    El-Kemary, Maged; El-Mehasseb, Ibrahim; El-Shamy, Hany

    2018-06-01

    Silver doped cadmium oxide (Ag/CdO) nanoparticles with an average size of 41 nm have been successfully synthesized via thermal decomposition and liquid impregnation technique. The structural characterization has been performed by using several spectroscopic techniques, e.g., X-ray diffraction (XRD), scanning electron microscopy (SEM) and fourier-transform infrared (FT-IR). The catechol oxidase has been studied by UV-visible absorption spectroscopy and fourier-transform infrared as well as the mechanism has been assured by cyclic voltammetry and fluorescence spectroscopy. The results indicate that the oxidation does not occur in the presence of unsupported cadmium oxide particles by silver and in the same time, the catechol oxidase activity of silver doped CdO nanoparticles were improved by about three orders of magnitude than silver ions.

  9. Characterization of a spectroscopic detector for application in x-ray computed tomography

    Science.gov (United States)

    Dooraghi, Alex A.; Fix, Brian J.; Smith, Jerel A.; Brown, William D.; Azevedo, Stephen G.; Martz, Harry E.

    2017-09-01

    Recent advances in cadmium telluride (CdTe) energy-discriminating pixelated detectors have enabled the possibility of Multi-Spectral X-ray Computed Tomography (MSXCT) to incorporate spectroscopic information into CT. MultiX ME 100 V2 is a CdTe-based spectroscopic x-ray detector array capable of recording energies from 20 to 160 keV in 1.1 keV energy bin increments. Hardware and software have been designed to perform radiographic and computed tomography tasks with this spectroscopic detector. Energy calibration is examined using the end-point energy of a bremsstrahlung spectrum and radioisotope spectral lines. When measuring the spectrum from Am-241 across 500 detector elements, the standard deviation of the peak-location and FWHM measurements are +/- 0.4 and +/- 0.6 keV, respectively. As these values are within the energy bin size (1.1 keV), detector elements are consistent with each other. The count rate is characterized, using a nonparalyzable model with a dead time of 64 +/- 5 ns. This is consistent with the manufacturer's quoted per detector-element linear-deviation at 2 Mpps (million photons per sec) of 8.9 % (typical) and 12 % (max). When comparing measured and simulated spectra, a low-energy tail is visible in the measured data due to the spectral response of the detector. If no valid photon detections are expected in the low-energy tail, then a background subtraction may be applied to allow for a possible first-order correction. If photons are expected in the low-energy tail, a detailed model must be implemented. A radiograph of an aluminum step wedge with a maximum height of 20 mm shows an underestimation of attenuation by about 10 % at 60 keV. This error is due to partial energy deposition from higher energy (>60 keV) photons into a lower-energy ( 60 keV) bin, reducing the apparent attenuation. A radiograph of a polytetrafluoroethylene (PTFE) cylinder taken using a bremsstrahlung spectrum from an x-ray voltage of 100 kV filtered by 1.3 mm Cu is

  10. Characterization of a spectroscopic detector for application in x-ray computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Dooraghi, A. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Fix, B. J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Smith, J. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Brown, W. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Azevedo, S. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Martz, H. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-04-21

    Recent advances in cadmium telluride (CdTe) energy-discriminating pixelated detectors have enabled the possibility of Multi-Spectral X-ray Computed Tomography (MSXCT) to incorporate spectroscopic information into CT. MultiX ME 100 V2 is a CdTe-based spectroscopic x-ray detector array capable of recording energies from 20 to 160 keV in 1.1 keV energy bin increments. Hardware and software have been designed to perform radiographic and computed tomography tasks with this spectroscopic detector. Energy calibration is examined using the end-point energy of a bremsstrahlung spectrum and radioisotope spectral lines. When measuring the spectrum from Am-241 across 500 detector elements, the standard deviation of the peak-location and FWHM measurements are ±0.4 and ±0.6 keV, respectively. As these values are within the energy bin size (1.1 keV), detector elements are consistent with each other. The count rate is characterized, using a nonparalyzable model with a dead time of 64 ± 5 ns. This is consistent with the manufacturer’s quoted per detector-element linear-deviation at 2 Mpps (million photons per sec) of 8.9% (typical) and 12% (max). When comparing measured and simulated spectra, a low-energy tail is visible in the measured data due to the spectral response of the detector. If no valid photon detections are expected in the low-energy tail, then a background subtraction may be applied to allow for a possible first-order correction. If photons are expected in the low-energy tail, a detailed model must be implemented. A radiograph of an aluminum step wedge with a maximum height of about 20 mm shows an underestimation of attenuation by about 10% at 60 keV. This error is due to partial energy deposition from higher-energy (> 60 keV) photons into a lower-energy (~60 keV) bin, reducing the apparent attenuation. A radiograph of a PTFE cylinder taken using a bremsstrahlung spectrum from an x-ray voltage of 100 kV filtered by 1.3 mm Cu is reconstructed using Abel inversion

  11. A spectroscopic census in young stellar regions: the σ Orionis cluster

    Energy Technology Data Exchange (ETDEWEB)

    Hernández, Jesús; Perez, Alice; Hernan, Ramírez [Centro de Investigaciones de Astronomía, Apdo. Postal 264, Mérida 5101-A (Venezuela, Bolivarian Republic of); Calvet, Nuria; Hartmann, Lee [Department of Astronomy, University of Michigan, 500 Church Street, Ann Arbor, MI 48109 (United States); Briceño, Cesar [Cerro Tololo Interamerican Observatory, Casilla 603, La Serena (Chile); Olguin, Lorenzo [Depto. de Investigación en Física, Universidad de Sonora, Sonora (Mexico); Contreras, Maria E. [Instituto de Astronomía, Universidad Nacional Autónoma de México, Ensenada, BC (Mexico); Allen, Lori [National Optical Astronomy Observatory, 950 North Cherry Avenue, Tucson, AZ 85719 (United States); Espaillat, Catherine, E-mail: hernandj@cida.ve [Department of Astronomy, Boston University, 725 Commonwealth Avenue, Boston, MA 02215 (United States)

    2014-10-10

    We present a spectroscopic survey of the stellar population of the σ Orionis cluster. We have obtained spectral types for 340 stars. Spectroscopic data for spectral typing come from several spectrographs with similar spectroscopic coverage and resolution. More than half of the stars in our sample are members confirmed by the presence of lithium in absorption, strong Hα in emission or weak gravity-sensitive features. In addition, we have obtained high-resolution (R ∼ 34,000) spectra in the Hα region for 169 stars in the region. Radial velocities were calculated from this data set. The radial velocity distribution for members of the cluster is in agreement with previous work. Analysis of the profile of the Hα line and infrared observations reveals two binary systems or fast rotators that mimic the Hα width expected in stars with accretion disks. On the other hand, there are stars with optically thick disks and narrow Hα profiles not expected in stars with accretion disks. This contribution constitutes the largest homogeneous spectroscopic data set of the σ Orionis cluster to date.

  12. X-ray Spectroscopic Characterization of Plasma for a Charged-Particle Energy-Loss Experiment

    Science.gov (United States)

    Hoffman, Nm; Lee, Cl; Wilson, Dc; Barnes, Cris W.; Petrasso, Rd; Li, C.; Hicks, D.

    2000-10-01

    We are pursuing an approach to a charged-particle energy-loss experiment in which charged fusion products from an imploded ICF capsule travel through a well characterized, spatially separate plasma. For this purpose, a fully ionized, uniform, nearly steady-state carbon-hydrogen plasma will be created by laser irradiation of a plastic foil. The temperature and density structure of this plasma must be determined accurately in order to relate observed energy losses to predictions of theory. Various methods for diagnosing the plasma are possible, including Thomson scattering. Alternatively, if a small admixture of higher-Z material such as chlorine is included in the plastic, x-ray spectroscopic techniques will allow the plasma's temperature and density to be determined. Electron temperature is inferred from the ratios of line strengths of various chlorine ion stages, while electron density is determined from the spectra of lithium-like satellite lines near the He beta line of helium-like chlorine. We present results from detailed-configuration accounting (DCA) models of line emission from C+H+Cl plasmas, and estimate the accuracy with which such plasmas can be characterized.

  13. Towards diode-pumped mid-infrared praseodymium-ytterbium-doped fluoride fiber lasers

    Science.gov (United States)

    Woodward, R. I.; Hudson, D. D.; Jackson, S. D.

    2018-02-01

    We explore the potential of a new mid-infrared laser transition in praseodymium-doped fluoride fiber for emission around 3.4 μm, which can be conveniently pumped by 0.975 μm diodes via ytterbium sensitizer co-doping. Optimal cavity designs are determined through spectroscopic measurements and numerical modeling, suggesting that practical diode-pumped watt-level mid-infrared fiber sources beyond 3 μm could be achieved.

  14. Infrared spectroscopy of fluid lipid bilayers.

    Science.gov (United States)

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

    2005-09-15

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

  15. Design and spectroscopic reflectometry characterization of pulsed laser deposition combinatorial libraries

    International Nuclear Information System (INIS)

    Schenck, Peter K.; Bassim, Nabil D.; Otani, Makoto; Oguchi, Hiroyuki; Green, Martin L.

    2007-01-01

    The goal of the design of pulsed laser deposition (PLD) combinatorial library films is to optimize the compositional coverage of the films while maintaining a uniform thickness. The deposition pattern of excimer laser PLD films can be modeled with a bimodal cos n distribution. Deposited films were characterized using a spectroscopic reflectometer (250-1000 nm) to map the thickness of both single composition calibration films and combinatorial library films. These distribution functions were used to simulate the composition and thickness of multiple target combinatorial library films. The simulations were correlated with electron-probe microanalysis wavelength-dispersive spectroscopy (EPMA-WDS) composition maps. The composition and thickness of the library films can be fine-tuned by adjusting the laser spot size, fluence, background gas pressure, target geometry and other processing parameters which affect the deposition pattern. Results from compositionally graded combinatorial library films of the ternary system Al 2 O 3 -HfO 2 -Y 2 O 3 are discussed

  16. Moessbauer spectroscopic characterization of ferrite ceramics

    International Nuclear Information System (INIS)

    Music, S.; Ristic, M.

    1999-01-01

    The principle of Moessbauer effect and the nature of hyperfine interactions were presented. The discovery of the Moessbauer effect was the basis of a new spectroscopic technique, called Moessbauer spectroscopy, which has already made important contribution to research in physics, chemistry, metallurgy, mineralogy and biochemistry. In the present work the selected ferrites such as spinel ferrite, NiFe 2 O 4 , and some rare earth orthoferrites and garnets were investigated using Moessbauer spectroscopy. X-ray powder diffraction and Fourier transform infrared spectroscopy were used as complementary techniques. The formation of NiFe 2 O 4 was monitored during the thermal decomposition of mixed salt (Ni(NO 3 ) 2 +2Fe(NO 3 ) 3 )nH 2 O. The ferritization of Ni 2+ ions was observed at 500 deg. C and after heating at 1300 deg. C the stoichiometric NiFe 2 O 4 was produced. The Moessbauer parameters obtained for NiFe 2 O 4 , d Fe = 0.36 mm s -1 and HMF = 528 kOe, can be ascribed to Fe 3+ ions in the octahedral sublattice, while parameters d Fe = 0.28 mm s -1 and HMF = 494 kOe can be ascribed to Fe 3+ ions in the tetrahedral lattice. The effect of ball-milling of NiFe 2 O 4 was monitored. The formation of oxide phases and their properties in the systems Nd 2 O 3 -Fe 2 O 3 , Sm 2 O 3 -Fe 2 O 3 , Gd 2 O 3 -Fe 2 O 3 , Eu 2 O 3 -Fe 2 O 3 and Er 2 O 3 -Fe 2 O 3 were also investigated. Quantitative distributions of oxide phases, a-Fe 2 O 3 , R 2 O 3 , R 3 Fe 5 O 12 and RFeO 3 , R = Gd or Eu, were determined for the systems xGd 2 O 3 +(1-x)Fe 2 O 3 and xEu 2 O 3 +(1-x)Fe 2 O 3 . The samples, prepared by chemical coprecipitation in the system xEu 2 O 3 +(1-x)Fe 2 O 3 , 0≤x≤1, were completely amorphous as observed by XRD, even at the relatively high temperature of the sample preparation (600 deg. C). Similar behavior was observed during the formation of Er 3 Fe 5 O 12 . Moessbauer spectroscopy indicated that this 'amorphous' phase is actually composed of very small and/or poor

  17. Comparison of spectroscopically measured tissue alcohol concentration to blood and breath alcohol measurements

    Science.gov (United States)

    Ridder, Trent D.; Ver Steeg, Benjamin J.; Laaksonen, Bentley D.

    2009-09-01

    Alcohol testing is an expanding area of interest due to the impacts of alcohol abuse that extend well beyond drunk driving. However, existing approaches such as blood and urine assays are hampered in some testing environments by biohazard risks. A noninvasive, in vivo spectroscopic technique offers a promising alternative, as no body fluids are required. The purpose of this work is to report the results of a 36-subject clinical study designed to characterize tissue alcohol measured using near-infrared spectroscopy relative to venous blood, capillary blood, and breath alcohol. Comparison of blood and breath alcohol concentrations demonstrated significant differences in alcohol concentration [root mean square of 9.0 to 13.5 mg/dL] that were attributable to both assay accuracy and precision as well as alcohol pharmacokinetics. A first-order kinetic model was used to estimate the contribution of alcohol pharmacokinetics to the differences in concentration observed between the blood, breath, and tissue assays. All pair-wise combinations of alcohol assays were investigated, and the fraction of the alcohol concentration variance explained by pharmacokinetics ranged from 41.0% to 83.5%. Accounting for pharmacokinetic concentration differences, the accuracy and precision of the spectroscopic tissue assay were found to be comparable to those of the blood and breath assays.

  18. Characterization of UO2 by infrared spectroscopy

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  19. Study of radiation heating (part 1). UR spectroscopic characteristics of radiant heat source

    Energy Technology Data Exchange (ETDEWEB)

    Nagaoka, Yoshikazu; Ajisaka, Kazuhiro; Toyonaga, Hajime; Kitahata, Hiroki; Oshida, Shun' ichi; Sugihara, Tomonori

    1987-09-01

    There are many IR permeable substances. When this is heated with IR beam, UR beam penetrated into the substance and heat up the substance from the inside. In this case, the inside gets hot quicker than the surface which gives much difference in the finish of the product. Characteristics of permeation and absorption of the IR beam vary by the type of the substance and the wave-length of the UR beam. Examples of effectiveness of far infra-red heater are: Baking of rice cake. Baking of PVC granules as a slip-stop for a working gloves. Far infra-red sauna (sweating effect around 50/sup 0/C). Tokyo Gas Co., Ltd. and other companies introduced an IR spectroscopic radiometer of Minarad Systems of USA to establish a data exchange system in 1984. The spectroscopic radio-meter system consists of 3 components, i.e., a spectrophotometric radiometer, a black body furnace, and a computer for data processing. (14 figs, 5 tabs)

  20. Fourier transform infrared spectroscopic imaging and multivariate regression for prediction of proteoglycan content of articular cartilage.

    Directory of Open Access Journals (Sweden)

    Lassi Rieppo

    Full Text Available Fourier Transform Infrared (FT-IR spectroscopic imaging has been earlier applied for the spatial estimation of the collagen and the proteoglycan (PG contents of articular cartilage (AC. However, earlier studies have been limited to the use of univariate analysis techniques. Current analysis methods lack the needed specificity for collagen and PGs. The aim of the present study was to evaluate the suitability of partial least squares regression (PLSR and principal component regression (PCR methods for the analysis of the PG content of AC. Multivariate regression models were compared with earlier used univariate methods and tested with a sample material consisting of healthy and enzymatically degraded steer AC. Chondroitinase ABC enzyme was used to increase the variation in PG content levels as compared to intact AC. Digital densitometric measurements of Safranin O-stained sections provided the reference for PG content. The results showed that multivariate regression models predict PG content of AC significantly better than earlier used absorbance spectrum (i.e. the area of carbohydrate region with or without amide I normalization or second derivative spectrum univariate parameters. Increased molecular specificity favours the use of multivariate regression models, but they require more knowledge of chemometric analysis and extended laboratory resources for gathering reference data for establishing the models. When true molecular specificity is required, the multivariate models should be used.

  1. Multianalytical characterization of a blue pigment used in art-crafts from Central Mexico

    International Nuclear Information System (INIS)

    Solis, C.; Mondragon, M.A.; Isaac-Olive, K.; Gleason, R.; Pina, C.; Sanchez del Rio, M.; Rocha, M.; Lopez-Aguilar, F.

    2008-01-01

    We report a preliminary characterization of a blue pigment because its color has been associated to objects found from Aztec and Precolumbian times. The pigment was examined before and after its purification by a variety of techniques: Particle Induced X-ray emission (PIXE), electron paramagnetic resonance (EPR), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy coupled to energy dispersion spectroscopy (SEM-EDS). The relationship of the chemical composition, the spectroscopic signals and the color are discussed

  2. Multianalytical characterization of a blue pigment used in art-crafts from Central Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Solis, C. [Instituto de Fisica, Departamento de Fisica Experimental, Universidad Nacional Autonoma de Mexico (UNAM), 04510 Mexico, DF (Mexico)], E-mail: corina@fisica.unam.mx; Mondragon, M.A. [Centro de Fisica Aplicada y Tecnologia Avanzada, UNAM, Boulevard Juriquilla 3001, Juriquilla, Queretaro 76230 (Mexico); Isaac-Olive, K.; Gleason, R. [Instituto de Fisica, Departamento de Fisica Experimental, Universidad Nacional Autonoma de Mexico (UNAM), 04510 Mexico, DF (Mexico); Pina, C. [Facultad de Quimica, UNAM, 04510 Mexico, DF (Mexico); Sanchez del Rio, M. [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble-Cedex 9 (France); Rocha, M. [Instituto Politecnico Nacional, Escuela de Ingenieria, Mexico, DF (Mexico); Lopez-Aguilar, F. [Division de Posgrado, Escuela Nacional de Antropologia e Historia, Mexico, DF (Mexico)

    2008-04-15

    We report a preliminary characterization of a blue pigment because its color has been associated to objects found from Aztec and Precolumbian times. The pigment was examined before and after its purification by a variety of techniques: Particle Induced X-ray emission (PIXE), electron paramagnetic resonance (EPR), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy coupled to energy dispersion spectroscopy (SEM-EDS). The relationship of the chemical composition, the spectroscopic signals and the color are discussed.

  3. Near-infrared Spectroscopic Observations of Comet C/2013 R1 (Lovejoy) by WINERED: CN Red-system Band Emission

    Energy Technology Data Exchange (ETDEWEB)

    Shinnaka, Yoshiharu; Yasui, Chikako; Izumi, Natsuko [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Kawakita, Hideyo; Kondo, Sohei; Ikeda, Yuji; Kobayashi, Naoto; Hamano, Satoshi; Sameshima, Hiroaki; Fukue, Kei; Matsunaga, Noriyuki; Otsubo, Shogo; Takenaka, Keiichi; Watase, Ayaka; Kawanishi, Takafumi; Nakanishi, Kenshi; Nakaoka, Tetsuya [Laboratory of Infrared High-resolution Spectroscopy, Koyama Astronomical Observatory, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan); Mizumoto, Misaki, E-mail: yoshiharu.shinnaka@nao.ac.jp, E-mail: kawakthd@cc.kyoto-su.ac.jp [Department of Astronomy, School of Science, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan)

    2017-08-01

    Although high-resolution spectra of the CN red-system band are considered useful in cometary sciences, e.g., in the study of isotopic ratios of carbon and nitrogen in cometary volatiles, there have been few reports to date due to the lack of high-resolution ( R  ≡  λ /Δ λ  > 20,000) spectrographs in the near-infrared region around ∼1 μ m. Here, we present the high-resolution emission spectrum of the CN red-system band in comet C/2013 R1 (Lovejoy), acquired by the near-infrared high-resolution spectrograph WINERED mounted on the 1.3 m Araki telescope at the Koyama Astronomical Observatory, Kyoto, Japan. We applied our fluorescence excitation models for CN, based on modern spectroscopic studies, to the observed spectrum of comet C/2013 R1 (Lovejoy) to search for CN isotopologues ({sup 13}C{sup 14}N and {sup 12}C{sup 15}N). We used a CN fluorescence excitation model involving both a “pure” fluorescence excitation model for the outer coma and a “fully collisional” fluorescence excitation model for the inner coma region. Our emission model could reproduce the observed {sup 12}C{sup 14}N red-system band of comet C/2013 R1 (Lovejoy). The derived mixing ratio between the two excitation models was 0.94(+0.02/−0.03):0.06(+0.03/−0.02), corresponding to the radius of the collision-dominant region of ∼800–1600 km from the nucleus. No isotopologues were detected. The observed spectrum is consistent, within error, with previous estimates in comets of {sup 12}C/{sup 13}C (∼90) and {sup 14}N/{sup 15}N (∼150).

  4. THE SPITZER MID-INFRARED ACTIVE GALACTIC NUCLEUS SURVEY. I. OPTICAL AND NEAR-INFRARED SPECTROSCOPY OF OBSCURED CANDIDATES AND NORMAL ACTIVE GALACTIC NUCLEI SELECTED IN THE MID-INFRARED

    Energy Technology Data Exchange (ETDEWEB)

    Lacy, M. [National Radio Astronomy Observatory, 520 Edgemont Road, Charlottesville, VA 22903 (United States); Ridgway, S. E. [National Optical Astronomy Observatory, 950 North Cherry Avenue, Tucson, AZ 85719 (United States); Gates, E. L. [UCO/Lick Observatory, P.O. Box 85, Mount Hamilton, CA 95140 (United States); Nielsen, D. M. [Department of Astronomy, University of Wisconsin, 475 N. Charter Street, Madison, WI 53706 (United States); Petric, A. O. [Department of Astronomy, California Institute of Technology, Pasadena, CA 91125 (United States); Sajina, A. [Department of Physics and Astronomy, Tuffs University, 212 College Avenue, Medford, MA 02155 (United States); Urrutia, T. [Leibniz-Institut für Astrophysik Potsdam, An der Sternwarte 16, D-14482 Potsdam (Germany); Cox Drews, S. [946 Mangrove Avenue 102, Sunnyvale, CA 94086 (United States); Harrison, C. [Department of Astronomy, University of Michigan, Ann Arbor, MI 48109 (United States); Seymour, N. [CSIRO, P.O. Box 76, Epping, NSW 1710 (Australia); Storrie-Lombardi, L. J. [Spitzer Science Center, California Institute of Technology, Pasadena, CA 91125 (United States)

    2013-10-01

    We present the results of a program of optical and near-infrared spectroscopic follow-up of candidate active galactic nuclei (AGNs) selected in the mid-infrared. This survey selects both normal and obscured AGNs closely matched in luminosity across a wide range, from Seyfert galaxies with bolometric luminosities L {sub bol} ∼ 10{sup 10} L {sub ☉} to highly luminous quasars (L {sub bol} ∼ 10{sup 14} L {sub ☉}), all with redshifts ranging from 0 to 4.3. Samples of candidate AGNs were selected with mid-infrared color cuts at several different 24 μm flux density limits to ensure a range of luminosities at a given redshift. The survey consists of 786 candidate AGNs and quasars, of which 672 have spectroscopic redshifts and classifications. Of these, 137 (20%) are type 1 AGNs with blue continua, 294 (44%) are type 2 objects with extinctions A{sub V} ∼> 5 toward their AGNs, 96 (14%) are AGNs with lower extinctions (A{sub V} ∼ 1), and 145 (22%) have redshifts, but no clear signs of AGN activity in their spectra. Of the survey objects 50% have L {sub bol} > 10{sup 12} L {sub ☉}, in the quasar regime. We present composite spectra for type 2 quasars and objects with no signs of AGN activity in their spectra. We also discuss the mid-infrared—emission-line luminosity correlation and present the results of cross correlations with serendipitous X-ray and radio sources. The results show that: (1) obscured objects dominate the overall AGN population, (2) mid-infrared selected AGN candidates exist which lack AGN signatures in their optical spectra but have AGN-like X-ray or radio counterparts, and (3) X-ray and optical classifications of obscured and unobscured AGNs often differ.

  5. Quantification of Multiple Components of Complex Aluminum-Based Adjuvant Mixtures by Using Fourier Transform Infrared Spectroscopy and Partial Least Squares Modeling.

    Science.gov (United States)

    Dowling, Quinton M; Kramer, Ryan M

    2017-01-01

    Fourier transform infrared (FTIR) spectroscopy is widely used in the pharmaceutical industry for process monitoring, compositional quantification, and characterization of critical quality attributes in complex mixtures. Advantages over other spectroscopic measurements include ease of sample preparation, quantification of multiple components from a single measurement, and the ability to quantify optically opaque samples. This method describes the use of a multivariate model for quantifying a TLR4 agonist (GLA) adsorbed onto aluminum oxyhydroxide (Alhydrogel ® ) using FTIR spectroscopy that may be adapted to quantify other complex aluminum based adjuvant mixtures.

  6. Optically active polyurethane@indium tin oxide nanocomposite: Preparation, characterization and study of infrared emissivity

    International Nuclear Information System (INIS)

    Yang, Yong; Zhou, Yuming; Ge, Jianhua; Yang, Xiaoming

    2012-01-01

    Highlights: ► Silane coupling agent of KH550 was used to connect the ITO and polyurethanes. ► Infrared emissivity values of the hybrids were compared and analyzed. ► Interfacial synergistic action and orderly secondary structure were the key factors. -- Abstract: Optically active polyurethane@indium tin oxide and racemic polyurethane@indium tin oxide nanocomposites (LPU@ITO and RPU@ITO) were prepared by grafting the organics onto the surfaces of modified ITO nanoparticles. LPU@ITO and RPU@ITO composites based on the chiral and racemic tyrosine were characterized by FT-IR, UV–vis spectroscopy, X-ray diffraction (XRD), SEM, TEM, and thermogravimetric analysis (TGA), and the infrared emissivity values (8–14 μm) were investigated in addition. The results indicated that the polyurethanes had been successfully grafted onto the surfaces of ITO without destroying the crystalline structure. Both composites possessed the lower infrared emissivity values than the bare ITO nanoparticles, which indicated that the interfacial interaction had great effect on the infrared emissivity. Furthermore, LPU@ITO based on the optically active polyurethane had the virtue of regular secondary structure and more interfacial synergistic actions between organics and inorganics, thus it exhibited lower infrared emissivity value than RPU@ITO based on the racemic polyurethane.

  7. Optoelectronic Characterization of Infrared Photodetector Fabricated on Ge-on-Si Substrate.

    Science.gov (United States)

    Khurelbaatar, Zagarzusem; Kil, Yeon-Ho; Kim, Taek Sung; Shim, Kyu-Hwan; Hong, Hyobong; Choi, Chel-Jong

    2015-10-01

    We report on the optoelectronic characterization of Ge p-i-n infrared photodetector fabricated on Ge-on-Si substrate using rapid thermal chemical vapor deposition (RTCVD). The phosphorous doping concentration and the root mean square (RMS) surface roughness of epitaxial layer was estimated to be 2 x 10(18) cm(-3) and 1.2 nm, respectively. The photodetector were characterized with respect to their dark, photocurrent and responsivities in the wavelength range of 1530-1630 nm. At 1550 nm wavelength, responsivity of 0.32 A/W was measured for a reverse bias of 1 V, corresponding to 25% external quantum efficiency, without an optimal antireflection coating. Responsivity drastically reduced from 1560 nm wavelength which could be attributed to decreased absorption of Ge at room temperature.

  8. Characterization of defects situated in a fresco by stimulated infrared thermography

    Science.gov (United States)

    Candoré, J. C.; Bodnar, J. L.; Detalle, V.; Grossel, P.

    2012-01-01

    The objective of this work is to approach the possibilities of stimulated infrared thermography in dimensional characterization of defects situated in mural paintings. Towards this end, we have proceeded in two stages. Initially, we have developed, with the help of a point source photothermal analysis, an in situ measurement of the longitudinal thermal diffusivity parameter. Then, we have proceeded to the characterization of the depth of the studied defect, by means of a wide photothermal analysis and of a confrontation between theory and experiment. In this article, we present these two measurement techniques and show that the approach allows a good estimation of the depth of an inclusion of plastazote in a copy of the "Saint Christophe" of the "Campana" collection of the "Louvre Museum".

  9. High resolution spectroscopy of six SOCl2 isotopologues from the microwave to the far-infrared

    Science.gov (United States)

    Martin-Drumel, M. A.; Roucou, A.; Brown, G. G.; Thorwirth, S.; Pirali, O.; Mouret, G.; Hindle, F.; McCarthy, M. C.; Cuisset, A.

    2016-02-01

    Despite its potential role as an atmospheric pollutant, thionyl chloride, SOCl2, remains poorly characterized in the gas phase. In this study, the pure rotational and ro-vibrational spectra of six isotopologues of this molecule, all detected in natural abundance, have been extensively studied from the cm-wave band to the far-infrared region by means of three complementary techniques: chirped-pulse Fourier transform microwave spectroscopy, sub-millimeter-wave spectroscopy using frequency multiplier chain, and synchrotron-based far-infrared spectroscopy. Owing to the complex line pattern which results from two nuclei with non-zero spins, new, high-level quantum-chemical calculations of the hyperfine structure played a crucial role in the spectroscopic analysis. From the combined experimental and theoretical work, an accurate semi-experimental equilibrium structure (reSE) of SOCl2 has been derived. With the present data, spectroscopy-based methods can now be applied with confidence to detect and monitor this species, either by remote sensing or in situ.

  10. The Airborne Visible / Infrared Imaging Spectrometer AVIS: Design, Characterization and Calibration

    Directory of Open Access Journals (Sweden)

    Wolfram Mauser

    2007-09-01

    Full Text Available The Airborne Visible / Infrared imaging Spectrometer AVIS is a hyperspectralimager designed for environmental monitoring purposes. The sensor, which wasconstructed entirely from commercially available components, has been successfullydeployed during several experiments between 1999 and 2007. We describe the instrumentdesign and present the results of laboratory characterization and calibration of the system’ssecond generation, AVIS-2, which is currently being operated. The processing of the datais described and examples of remote sensing reflectance data are presented.

  11. Mid-Infrared Spectral Properties of IR QSOs

    International Nuclear Information System (INIS)

    Xia, X. Y.; Cao, C.; Mao, S.; Deng, Z. G.

    2008-01-01

    We analyse mid-infrared (MIR) spectroscopic properties for 19 ultra-luminous infrared quasars (IR QSOs) in the local universe based on the spectra from the Infrared Spectrograph on board the Spitzer Space Telescope. The MIR properties of IR QSOs are compared with those of optically-selected Palomar-Green QSOs (PG QSOs) and ultra-luminous infrared galaxies (ULIRGs). The average MIR spectral features from ∼5 to 30 μm, including the spectral slopes, 6.2 μm PAH emission strengths and [NeII] 12.81 μm luminosities of IR QSOs, differ from those of PG QSOs. In contrast, IR QSOs and ULIRGs have comparable PAH and [NeII] luminosities. These results are consistent with IR QSOs being at a transitional stage from ULIRGs to classical QSOs. We also find the correlation between the EW (PAH 6.2 μm) and outflow velocities suggests that star formation activities are suppressed by feedback from AGNs and/or supernovae.

  12. Spectroscopic analysis of lithium hydroxide and carbonate in solid state lithium oxide

    Energy Technology Data Exchange (ETDEWEB)

    Oohira, Shigeru; Fujii, Yasuhiko; Okamoto, Makoto; Kakihana, Masato; Nagumo, Tadashi

    1985-08-01

    Infrared spectra of LiOH and Li2CO3 suspended on KBr discs were measured over the concentration range 20 g/100 mg KBr to 600 g/100 mg KBr. The absorbance of a selected infrared band of each sample was carefully determined. The empirical equation, which expresses a correlation between the absorbance and the concentration, was given for each lithium compound. The feasibility of independent and direct determination of the LiOH and Li2CO3 content in Li2O was shown, and the spectroscopic technique was applied to a typical Li2O sample. It was shown that the detection limit of the analysis was improved by low-temperature measurements of the infrared spectra. (orig.).

  13. AILES: the infrared and THz beamline on SOLEIL synchrotron radiation source

    International Nuclear Information System (INIS)

    Roy, P.; Brubach, J.B.; Rouzieres, M.; Pirali, O.; Kwabia Tchana, F.; Manceron, L.

    2008-01-01

    The development of a new infrared beamline (ligne de lumiere AILES) at the third generation Synchrotron Radiation source SOLEIL is underway. This beamline utilizes infrared synchrotron radiation from both the edge emission and the constant field conventional source. The expected performances including flux, spatial distribution of the photons, spectral range and stability are calculated and discussed. The optical system, spectroscopic stations and workspace are described. The calculation in the near field approach and the simulation by ray tracing show that the source with its adapted optics offers high flux and brilliance for a variety of infrared experiments. We also review the main research themes and the articulation and developments of the infrared sources at SOLEIL. (authors)

  14. Mid-infrared spectroscopic assessment of nanotoxicity in gram-negative vs. gram-positive bacteria.

    Science.gov (United States)

    Heys, Kelly A; Riding, Matthew J; Strong, Rebecca J; Shore, Richard F; Pereira, M Glória; Jones, Kevin C; Semple, Kirk T; Martin, Francis L

    2014-03-07

    Nanoparticles appear to induce toxic effects through a variety of mechanisms including generation of reactive oxygen species (ROS), physical contact with the cell membrane and indirect catalysis due to remnants from manufacture. The development and subsequent increasing usage of nanomaterials has highlighted a growing need to characterize and assess the toxicity of nanoparticles, particularly those that may have detrimental health effects such as carbon-based nanomaterials (CBNs). Due to interactions of nanoparticles with some reagents, many traditional toxicity tests are unsuitable for use with CBNs. Infrared (IR) spectroscopy is a non-destructive, high throughput technique, which is unhindered by such problems. We explored the application of IR spectroscopy to investigate the effects of CBNs on Gram-negative (Pseudomonas fluorescens) and Gram-positive (Mycobacterium vanbaalenii PYR-1) bacteria. Two types of IR spectroscopy were compared: attenuated total reflection Fourier-transform infrared (ATR-FTIR) and synchrotron radiation-based FTIR (SR-FTIR) spectroscopy. This showed that Gram-positive and Gram-negative bacteria exhibit differing alterations when exposed to CBNs. Gram-positive bacteria appear more resistant to these agents and this may be due to the protection afforded by their more sturdy cell wall. Markers of exposure also vary according to Gram status; Amide II was consistently altered in Gram-negative bacteria and carbohydrate altered in Gram-positive bacteria. ATR-FTIR and SR-FTIR spectroscopy could both be applied to extract biochemical alterations induced by each CBN that were consistent across the two bacterial species; these may represent potential biomarkers of nanoparticle-induced alterations. Vibrational spectroscopy approaches may provide a novel means of fingerprinting the effects of CBNs in target cells.

  15. Infrared Thermography Characterization of Defects in Seamless Pipes Using an Infrared Reflector

    International Nuclear Information System (INIS)

    Park, Hee Sang; Choi, Man Yong; Park, Jeong Hak; Lee, Jae Jung; Kim, Won Tae; Lee, Bo Young

    2012-01-01

    Infrared thermography uses infrared energy radiated from any objects above absolute zero temperature, and the range of its application has been constantly broadened. As one of the active test techniques detecting radiant energy generated when energy is applied to an object, ultrasound infrared thermography is a method of detecting defects through hot spots occurring at a defect area when 15-100 kHz of ultrasound is excited to an object. This technique is effective in detecting a wide range affected by ultrasound and vibration in real time. Especially, it is really effective when a defect area is minute. Therefore, this study conducted thermography through lock-in signal processing when an actual defect exists inside the austenite STS304 seamless pipe, which simulates thermal fatigue cracks in a nuclear power plant pipe. With ultrasound excited, this study could detect defects on the rear of a pipe by using an aluminium reflector. Besides, by regulating the angle of the aluminium reflector, this study could detect both front and rear defects as a single infrared thermography image.

  16. An infrared spectroscopic tool for process monitoring: sugar contents during the production of a depilatory formulation.

    Science.gov (United States)

    Kuligowski, Julia; Cascant, Mercedes; Garrigues, Salvador; de la Guardia, Miguel

    2012-09-15

    A fast, reliable and economical methodology has been developed to control the production process of sugar-based depilatories. The method is based on the use of attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy in combination with multivariate data analysis. A very simple sample preparation process involving the dissolution of samples in water was applied. Employing a multivariate calibration model established from data of 15 well characterized samples, prediction errors equal or below 3.04 mg mL(-1) for the quantitative determination of fructose, glucose, sucrose, maltose and maltotriose were obtained. Results found in this preliminary study indicate a great potential for the development of at-line ATR-FTIR-PLS methods based on a careful selection of variables from IR spectra, delivering fast and reliable results. As a reference method, a liquid chromatography (LC)-IR method was adapted for sample characterization. Copyright © 2012 Elsevier B.V. All rights reserved.

  17. Spectroscopic and electrochemical characterization of nanostructured optically transparent carbon electrodes.

    Science.gov (United States)

    Benavidez, Tomás E; Garcia, Carlos D

    2013-07-01

    The present paper describes the results related to the optical and electrochemical characterization of thin carbon films fabricated by spin coating and pyrolysis of AZ P4330-RS photoresist. The goal of this paper is to provide comprehensive information allowing for the rational selection of the conditions to fabricate optically transparent carbon electrodes (OTCE) with specific electrooptical properties. According to our results, these electrodes could be appropriate choices as electrochemical transducers to monitor electrophoretic separations. At the core of this manuscript is the development and critical evaluation of a new optical model to calculate the thickness of the OTCE by variable angle spectroscopic ellipsometry. Such data were complemented with topography and roughness (obtained by atomic force microscopy), electrochemical properties (obtained by cyclic voltammetry), electrical properties (obtained by electrochemical impedance spectroscopy), and structural composition (obtained by Raman spectroscopy). Although the described OTCE were used as substrates to investigate the effect of electrode potential on the real-time adsorption of proteins by ellipsometry, these results could enable the development of other biosensors that can be then integrated into various CE platforms. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Central Stars of Mid-Infrared Nebulae Discovered with Spitzer and WISE

    Science.gov (United States)

    Gvaramadze, V. V.; Kniazev, A. Y.

    2017-02-01

    Searches for compact mid-IR nebulae with the Spitzer Space Telescope and the Wide-field Infrared Survey Explorer (WISE), accompanied by spectroscopic observations of central stars of these nebulae led to the discovery of many dozens of massive stars at different evolutionary stages, of which the most numerous are candidate luminous blue variables (LBVs). In this paper, we give a census of candidate and confirmed Galactic LBVs revealed with Spitzer and WISE, and present some new results of spectroscopic observations of central stars of mid-IR nebulae.

  19. SPITZER INFRARED LOW-RESOLUTION SPECTROSCOPIC STUDY OF BURIED ACTIVE GALACTIC NUCLEI IN A COMPLETE SAMPLE OF NEARBY ULTRALUMINOUS INFRARED GALAXIES

    International Nuclear Information System (INIS)

    Imanishi, Masatoshi; Maiolino, Roberto; Nakagawa, Takao

    2010-01-01

    We present the results of Spitzer Infrared Spectrograph low-resolution infrared 5-35 μm spectroscopy of 17 nearby ultraluminous infrared galaxies (ULIRGs) at z 12 L sun , are found in eight sources. We combine these results with those of our previous research to investigate the energy function of buried AGNs in a complete sample of optically non-Seyfert ULIRGs in the local universe at z < 0.3 (85 sources). We confirm a trend that we previously discovered: that buried AGNs are more common in galaxies with higher infrared luminosities. Because optical Seyferts also show a similar trend, we argue more generally that the energetic importance of AGNs is intrinsically higher in more luminous galaxies, suggesting that the AGN-starburst connections are luminosity dependent. This may be related to the stronger AGN feedback scenario in currently more massive galaxy systems, as a possible origin of the galaxy downsizing phenomenon.

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

    Science.gov (United States)

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

    2016-06-01

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

  1. Obtainment and characterization of pure and doped gadolinium oxy ortho silicates with terbium III, precursor of luminescent silicates with sulphur

    International Nuclear Information System (INIS)

    Simoneti, J.A.

    1992-01-01

    Silicate and sulfide lattices are uniquely efficient luminescent materials to excitation by cathodic rays and furthermore the cathodoluminescence study of these compounds have been few investigated. In this work it has been prepared, characterized and investigated some spectroscopic properties of pure and Tb a+ - activated Gd 2 Si O 3 system and it has been tried to substitute oxygen by sulphur in order to obtain this or sulfide-silicate lattices. Products were characterized by vibrational infrared spectroscopy, powder X-ray diffraction patterns and electronic emission in UV-VIS region. (author)

  2. Spectroscopic study

    International Nuclear Information System (INIS)

    Flores, M.; Rodriguez, R.; Arroyo, R.

    1999-01-01

    This work is focused about the spectroscopic properties of a polymer material which consists of Polyacrylic acid (Paa) doped at different concentrations of Europium ions (Eu 3+ ). They show that to stay chemically joined with the polymer by a study of Nuclear Magnetic Resonance (NMR) of 1 H, 13 C and Fourier Transform Infrared Spectroscopy (Ft-IR) they present changes in the intensity of signals, just as too when this material is irradiated at λ = 394 nm. In according with the results obtained experimentally in this type of materials it can say that is possible to unify chemically the polymer with this type of cations, as well as, varying the concentration of them, since that these are distributed homogeneously inside the matrix maintaining its optical properties. These materials can be obtained more quickly and easy in solid or liquid phase and they have the best conditions for to make a quantitative analysis. (Author)

  3. Mid-infrared volume diffraction gratings in IG2 chalcogenide glass: fabrication, characterization, and theoretical verification

    Science.gov (United States)

    Butcher, Helen L.; MacLachlan, David G.; Lee, David; Brownsword, Richard A.; Thomson, Robert R.; Weidmann, Damien

    2018-02-01

    Ultrafast laser inscription (ULI) has previously been employed to fabricate volume diffraction gratings in chalcogenide glasses, which operate in transmission mode in the mid-infrared spectral region. Prior gratings were manufactured for applications in astrophotonics, at wavelengths around 2.5 μm. Rugged volume gratings also have potential use in remote atmospheric sensing and molecular spectroscopy; for these applications, longer wavelength operation is required to coincide with atmospheric transparency windows (3-5 μm) and intense ro-vibrational molecular absorption bands. We report on ULI gratings inscribed in IG2 chalcogenide glass, enabling access to the full 3-5 μm window. High-resolution broadband spectral characterization of fabricated gratings was performed using a Fourier transform spectrometer. The zeroth order transmission was characterized to derive the diffraction efficiency into higher orders, up to the fourth orders in the case of gratings optimized for first order diffraction at 3 μm. The outcomes imply that ULI in IG2 is well suited for the fabrication of volume gratings in the mid infrared, providing the impact of the ULI fabrication parameters on the grating properties are well understood. To develop this understanding, grating modeling was conducted. Parameters studied include grating thickness, refractive index modification, and aspect ratio of the modulation achieved by ULI. Knowledge of the contribution and sensitivity of these parameters was used to inform the design of a 4.3 μm grating expected to achieve > 95% first order efficiency. We will also present the characterization of these latest mid-infrared diffraction gratings in IG2.

  4. Adsorption and spectroscopic characterization of lactoferrin on hydroxyapatite nanocrystals.

    Science.gov (United States)

    Iafisco, Michele; Di Foggia, Michele; Bonora, Sergio; Prat, Maria; Roveri, Norberto

    2011-01-28

    Lactoferrin (LF), a well-characterized protein of blood plasma and milk with antioxidant, cariostatic, anticarcinogenic and anti-inflammatory properties, has been adsorbed onto biomimetic hydroxyapatite (HA) nanocrystals at two different pH values (7.4 and 9.0). The interaction was herein investigated by spectroscopic, thermal and microscopic techniques. The positive electrostatic surface potential of LF at pH 7.4 allows a strong surface interaction with the slightly negative HA nanocrystals and avoids the protein-protein interaction, leading to the formation of a coating protein monolayer. In contrast, at pH 9.0 the surface potential of LF is a mix of negative and positive zones favouring the protein-protein interaction and reducing the interaction with HA nanocrystals; as a result a double layer of coating protein was formed. These experimental findings are supported by the good fittings of the adsorption isotherms by different theoretical models according to Langmuir, Freundlich and Langmuir-Freundlich models. The nanosized HA does not appreciably affect the conformation of the adsorbed protein. In fact, using FT-Raman and FT-IR, we found that after adsorption the protein was only slightly unfolded with a small fraction of the α-helix structure being converted into turn, while the β-sheet content remained almost unchanged. The bioactive surface of HA functionalized with LF could be utilized to improve the material performance towards the biological environment for biomedical applications.

  5. Assessment of near infrared and "software sensor" for biomass monitoring and control

    NARCIS (Netherlands)

    Soons, Z.I.T.A.; Streefland, M.; Straten, van G.; Boxtel, van A.J.B.

    2008-01-01

    Spectroscopic instrumentation is often seen as promising for process analytical technology (PAT) to enhance control of manufacturing (bio)pharmaceuticals. The interpretation of near infrared spectra is challenging due to the large number of wavelengths recorded and the overlapping absorbance

  6. Fuel cells: spectroscopic studies in the electrocatalysis of alcohol oxidation

    Directory of Open Access Journals (Sweden)

    Iwasita Teresa

    2002-01-01

    Full Text Available Modern spectroscopic methods are useful for elucidating complex electrochemical mechanisms as those occurring during the oxidation of small organic molecules (CH3OH, HCOH, HCOOH. In the present paper it is shown the use of spectroscopic methods to study the oxidation of alcohols on platinum or Pt-based binary electrodes. These reactions are of importance in conexion with the development of anode systems for use in fuel cells. Mass spectrometry and FT infrared spectroscopy allow to establishing the reaction intermediates and products and the dependence of the amount of species on the applied potential. FTIR and scanning tunneling microscopy contribute to understand the effects of the surface structure on the rate of reaction. Examples are presented for methanol and ethanol oxidation at pure and modified Pt catalysts.

  7. Fourier Transform Infrared (FTIR) Spectroscopy, Ultraviolet Resonance Raman (UVRR) Spectroscopy, and Atomic Force Microscopy (AFM) for Study of the Kinetics of Formation and Structural Characterization of Tau Fibrils.

    Science.gov (United States)

    Ramachandran, Gayathri

    2017-01-01

    Kinetic studies of tau fibril formation in vitro most commonly employ spectroscopic probes such as thioflavinT fluorescence and laser light scattering or negative stain transmission electron microscopy. Here, I describe the use of Fourier transform infrared (FTIR) spectroscopy, ultraviolet resonance Raman (UVRR) spectroscopy, and atomic force microscopy (AFM) as complementary probes for studies of tau aggregation. The sensitivity of vibrational spectroscopic techniques (FTIR and UVRR) to secondary structure content allows for measurement of conformational changes that occur when the intrinsically disordered protein tau transforms into cross-β-core containing fibrils. AFM imaging serves as a gentle probe of structures populated over the time course of tau fibrillization. Together, these assays help further elucidate the structural and mechanistic complexity inherent in tau fibril formation.

  8. Infrared, Raman and laser fluorescence studies on large molecules

    International Nuclear Information System (INIS)

    Venkateswaran, Sugandhi

    2000-01-01

    In the present thesis, infrared and Raman spectroscopic studies on large molecules, molecular assemblies and crystalline solids, as a function of temperature, pressure and added materials have been carried out. Spectral changes observed in our studies are interpreted in terms of intermolecular interaction, phase transition and conformational changes taking place in the molecules studied

  9. Fourier transform mid-infrared (MIR) and near-infrared (NIR) spectroscopy for rapid quality assessment of Chinese medicine preparation Honghua Oil.

    Science.gov (United States)

    Wu, Yan-Wen; Sun, Su-Qin; Zhou, Qun; Leung, Hei-Wun

    2008-02-13

    Honghua Oil (HHO), a traditional Chinese medicine (TCM) oil preparation, is a mixture of several plant essential oils. In this text, the extended ranges of Fourier transform mid-infrared (FT-MIR) and near infrared (FT-NIR) were recorded for 48 commercially available HHOs of different batches from nine manufacturers. The qualitative and quantitative analysis of three marker components, alpha-pinene, methyl salicylate and eugenol, in different HHO products were performed rapidly by the two vibrational spectroscopic methods, i.e. MIR with horizontal attenuated total reflection (HATR) accessory and NIR with direct sampling technique, followed by partial least squares (PLS) regression treatment of the set of spectra obtained. The results indicated that it was successful to identify alpha-pinene, methyl salicylate and eugenol in all of the samples by simple inspection of the MIR-HATR spectra. Both PLS models established with MIR-HATR and NIR spectral data using gas chromatography (GC) peak areas as calibration reference showed a good linear correlation for each of all three target substances in HHO samples. The above spectroscopic techniques may be the promising methods for the rapid quality assessment/quality control (QA/QC) of TCM oil preparations.

  10. In situ detection and characterization of potable water biofilms on materials by microscopic, spectroscopic and electrochemistry methods

    Energy Technology Data Exchange (ETDEWEB)

    Gamby, Jean [Universite Pierre et Marie Curie - Paris 6, CNRS-UPR 15, Laboratoire Interfaces et Systemes Electrochimiques, 4 Place Jussieu, Case Courrier 133, 75252 Paris Cedex 05 (France)], E-mail: jean.gamby@upmc.fr; Pailleret, Alain [Universite Pierre et Marie Curie - Paris 6, CNRS-UPR 15, Laboratoire Interfaces et Systemes Electrochimiques, 4 Place Jussieu, Case Courrier 133, 75252 Paris Cedex 05 (France); Clodic, Carol Boucher; Pradier, Claire-Marie [Universite Pierre et Marie Curie - Paris 6, CNRS-UMR 7609, Laboratoire de Reactivite de Surface, 4 Place Jussieu, Case Courrier 178, 75252 Paris Cedex 05 (France); Tribollet, Bernard [Universite Pierre et Marie Curie - Paris 6, CNRS-UPR 15, Laboratoire Interfaces et Systemes Electrochimiques, 4 Place Jussieu, Case Courrier 133, 75252 Paris Cedex 05 (France)

    2008-12-01

    We studied biofilm formation on stainless steel occurring in a drinking water distribution system which operated in parallel at 20 and 37 deg. C, in order to focus on the effect of temperature rather than on other operational and water quality parameters. A surface conditioning step was followed as a function of time on this material until adhesion of bacterial colonies by using microscopic methods: scanning electron microscopy (SEM) and atomic force microscopy (AFM); a spectroscopic method: polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), and an electrochemical method: rotating disk electrode (RDE). Correlations between surface analysis, the duration of immersion of the sample and the influence of temperature have been identified clearly before bacterial adhesion. In cold water, these results showed an initial conditioning step of surface occurring during the first 8 days, with detection of superficial acidic functions grafted on surface, until adsorption of proteins. After 12 days, formation of independent bacteria microcolonies, reaching 2-3 {mu}m in length was observed. In tepid water, the first step was reduced to 2 days during which carbonates, acidic functions, and proteins were detected. After 90 days, the biofilm entered in a stable population state, which appeared as a bacteria rich film, including possibly Legionella. The spatial variation of the biofilm was limited as deduced from the thickness determination (about 4 {mu}m for 3-month period), using a RDE. The combination of these different techniques confirms successive steps for biofilm formation on stainless steel in a tap water. Then, we scrutinized the external near environment of bacteria including extracellular polymeric substances (EPS) and then further characterize the morphology of dominant bacteria (shape, size, flagellum) on gold substrate by AFM in air.

  11. In situ detection and characterization of potable water biofilms on materials by microscopic, spectroscopic and electrochemistry methods

    International Nuclear Information System (INIS)

    Gamby, Jean; Pailleret, Alain; Clodic, Carol Boucher; Pradier, Claire-Marie; Tribollet, Bernard

    2008-01-01

    We studied biofilm formation on stainless steel occurring in a drinking water distribution system which operated in parallel at 20 and 37 deg. C, in order to focus on the effect of temperature rather than on other operational and water quality parameters. A surface conditioning step was followed as a function of time on this material until adhesion of bacterial colonies by using microscopic methods: scanning electron microscopy (SEM) and atomic force microscopy (AFM); a spectroscopic method: polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), and an electrochemical method: rotating disk electrode (RDE). Correlations between surface analysis, the duration of immersion of the sample and the influence of temperature have been identified clearly before bacterial adhesion. In cold water, these results showed an initial conditioning step of surface occurring during the first 8 days, with detection of superficial acidic functions grafted on surface, until adsorption of proteins. After 12 days, formation of independent bacteria microcolonies, reaching 2-3 μm in length was observed. In tepid water, the first step was reduced to 2 days during which carbonates, acidic functions, and proteins were detected. After 90 days, the biofilm entered in a stable population state, which appeared as a bacteria rich film, including possibly Legionella. The spatial variation of the biofilm was limited as deduced from the thickness determination (about 4 μm for 3-month period), using a RDE. The combination of these different techniques confirms successive steps for biofilm formation on stainless steel in a tap water. Then, we scrutinized the external near environment of bacteria including extracellular polymeric substances (EPS) and then further characterize the morphology of dominant bacteria (shape, size, flagellum) on gold substrate by AFM in air

  12. LaPO4:Eu fluorescent nanorods, synthesis, characterization and spectroscopic studies on interaction with human serum albumin

    Science.gov (United States)

    Guo, Xingjia; Yao, Jie; Liu, Xuehui; Wang, Hongyan; Zhang, Lizhi; Xu, Liping; Hao, Aijun

    2018-06-01

    Eu3+ doped LaPO4 fluorescent nanorods (LaPO4:Eu) was successfully fabricated by a hydrothermal process. The obtained LaPO4:Eu nanorods under the optimal conditions were characterized by means of transmission electron microscopy (TEM), X-ray diffraction (XRD) technique, Fourier transform infrared (FTIR), UV-vis absorption and fluorescence spectroscopy. The nanorods with a length of 50-100 nm and a diameter of about 10 nm, can emit strong red fluorescence upon excitation at 241 nm. The FTIR result confirmed that there are lots of phosphate groups on the surfaces of nanorods. In order to better understand the physiological behavior of nanorods in human body, multiple spectroscopic methods were used to study the interaction between the LaPO4:Eu nanorods and human serum albumin (HSA) in the simulated physiological conditions. The results indicated that the nanorods can effectively quench the intrinsic fluorescence of HSA through a dynamic quenching mode with the association constants of the order of 103 L mol-1. The values of the thermodynamic parameters suggested that the binding of the nanorods to HSA was a spontaneous process and van der Waals forces and hydrogen bonds played a predominant role. The displacement experiments verified that the binding site of nanorods on HSA was mainly located in the hydrophobic pocket of subdomain IIA (site I) of HSA. The binding distance between nanorods and HSA was calculated to be 4.2 nm according to the theory of Förster non-radiation energy transfer. The analysis of synchronous fluorescence, three-dimensional fluorescence (3D) and circular dichroism (CD) spectra indicated that there the addition of LaPO4:Eu nanorods did not caused significant alterations in conformation of HSA secondary structure and the polarity around the amino acid residues.

  13. Isolation and Spectroscopic Characterization of Reactive Species in Atmospheric and Interstellar Reactions

    Science.gov (United States)

    Relph, Rachael A.

    2011-12-01

    A critical element to the study of chemical reactions is the characterization of reaction intermediates. Methods have been developed to isolate these transient species in the gas phase and when combined with infrared spectroscopy have proven to be excellent tools for determining the structure and reactivity of key intermediates. The studies presented here exploit these technologies to better understand the chemistry of species involved in atmospheric and interstellar reactions. An excellent example of their utility is in the study of the formation of proton hydrates and HONO in the upper atmosphere by sequential addition of water molecules onto the nitrosonium ion. This reaction only proceeds to products after addition of the fourth water molecule, and isolation and characterization of the intermediate trihydrate, NO+(H 2O)3, shows that this species is formed in three isomeric forms, each with a different water network that controls the degree of bond formation between the nitrosonium ion and an activated water molecule. Many isomeric structures are also seen in the clustering reactions of acetylene which may be a mechanism for the formation of benzene cation in interstellar space. The spectroscopy of the trimer, (C2H2)3 + indicates that this species exists in two major isomer classes; covalent forms, one of which may be benzene, and an ion-molecule complex, comprised of a loosely bound acetylene on a dimer core. Interestingly, this dimer core is different from the cyclobutadiene-like structure observed in dimerized acetylene, and proves to be a robust species on the potential energy surface as it survives further clustering events. Two structural isomers of CO3 -and NO3 - are also investigated, and found to have drastically different infrared spectra which are analyzed in the context of their electronic structure. Isomers in these systems are prepared under different expansion conditions which accounts for their unique spectral signatures.

  14. Vibrational and chiroptical spectroscopic characterization of gamma-turn model cyclic tetrapeptides containing two beta-Ala residues.

    Science.gov (United States)

    Vass, Elemér; Majer, Zsuzsa; Kohalmy, Krisztina; Hollósi, Miklós

    2010-08-01

    The optical spectroscopic characterization of gamma-turns in solution is uncertain and their distinction from beta-turns is often difficult. This work reports systematic ECD and vibrational circular dichroism (VCD) spectroscopic studies on gamma-turn model cyclic tetrapeptides cyclo(Ala-beta-Ala-Pro-beta-Ala) (1), cyclo(Pro-beta-Ala-Pro-beta-Ala) (2) and cyclo(Ala-beta-Ala-Ala-beta-Ala) (3). Conformational analysis performed at the 6-31G(d)/B3LYP level of theory using an adequate PCM solvent model predicted one predominant conformer for 1-3, featuring two inverse gamma-turns. The ECD spectra in ACN of 1 and 2 are characterized by a negative n-->pi* band near 230 nm and a positive pi-->pi* band below 200 nm with a long wavelength shoulder. The ECD spectra in TFE of 1-3 show similar spectra with blue-shifted bands. The VCD spectra in ACN-d(3) of 1 and 2 show a +/-/+/- amide I sign pattern resulting from four uncoupled vibrations in the case of 1 and a sequence of two positive couplets in the case of 2. A -/+/+/- amide I VCD pattern was measured for 3 in TFE-d(2). All three peptides give a positive couplet or couplet-like feature (+/-) in the amide II region. VCD spectroscopy, in agreement with theoretical calculations revealed that low frequency amide I vibrations (at approximately 1630 cm(-1) or below) are indicative of a C(7) H-bonded inverse gamma-turns with Pro in position 2, while gamma-turns encompassing Ala absorb at higher frequency (above 1645 cm(-1)). Copyright 2010 Wiley-Liss, Inc.

  15. Spectroscopic studies on surface reactions between minerals and reagents in flotation systems

    International Nuclear Information System (INIS)

    Giesekke, E.W.

    1981-01-01

    A study of the adsorbed species at the interface between the minerals and the aqueous solution is reported in the hope that it will contribute to a better understanding of selective mineral flotation by various reagents. The results of infrared spectroscopic studies are cited from the author's investigation on the fluorite-sodium oleate and fluorite-linoleate systems. Electron-spectroscopic techniques, e.g., electron spectroscopy for chemical analysis (ESCA) have also been useful in the identification of adsorbed species on mineral surfaces. Some experimental data from the literature are discussed. These studies have the disadvantage that they are not in situ investigations of the interface between the mineral and the aqueous solution. The potential use of other spectroscopic techniques are discussed, photo-acoustic, Raman, and electron-spin-resonance spectroscopy being considered as possible alternatives. It is suggested that the relatively small surface areas of minerals used in flotation (i.e. smaller than 2m 2 .g- 1 ) impose severe restrictions on the use of such techniques

  16. Identification and Spectroscopic Characterization of Nonheme Iron(III) Hypochlorite Intermediates

    NARCIS (Netherlands)

    Draksharapu, Apparao; Angelone, Davide; Quesne, Matthew G.; Padamati, Sandeep K.; Gomez, Laura; Hage, Ronald; Costas, Miquel; Browne, Wesley R.; de Visser, Sam P.

    2015-01-01

    Fe-III-hypohalite complexes have been implicated in a wide range of important enzyme-catalyzed halogenation reactions including the biosynthesis of natural products and antibiotics and post-translational modification of proteins. The absence of spectroscopic data on such species precludes their

  17. Characterization of midwave infrared InSb avalanche photodiode

    Energy Technology Data Exchange (ETDEWEB)

    Abautret, J., E-mail: johan.abautret@ies.univ-montp2.fr; Evirgen, A. [Université Montpellier, IES, UMR 5214, F-34095 Montpellier (France); CNRS, IES, UMR 5214, F-34095 Montpellier (France); SOFRADIR, BP 21, 38113 Veurey-Voroize (France); Perez, J. P.; Christol, P. [Université Montpellier, IES, UMR 5214, F-34095 Montpellier (France); CNRS, IES, UMR 5214, F-34095 Montpellier (France); Rothman, J. [CEA-LETI, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France); Cordat, A. [SOFRADIR, BP 21, 38113 Veurey-Voroize (France)

    2015-06-28

    This paper focuses on the InSb material potential for the elaboration of Avalanche Photodiodes (APD) for high performance infrared imaging applications, both in passive or active mode. The first InSb electron-APD structure was grown by molecular beam epitaxy, processed and electrically characterized. The device performances are at the state of the art for the InSb epi-diode technology, with a dark current density J(−50 mV) = 32 nA/cm{sup 2} at 77 K. Then, a pure electron injection was performed, and an avalanche gain, increasing exponentially, was observed with a gain value near 3 at −4 V at 77 K. The Okuto–Crowell model was used to determine the electron ionization coefficient α(E) in InSb, and the InSb gain behavior is compared with the one of InAs and MCT APDs.

  18. Spectroscopic Studies of Molecular Systems relevant in Astrobiology

    Science.gov (United States)

    Fornaro, Teresa

    2016-01-01

    In the Astrobiology context, the study of the physico-chemical interactions involving "building blocks of life" in plausible prebiotic and space-like conditions is fundamental to shed light on the processes that led to emergence of life on Earth as well as to molecular chemical evolution in space. In this PhD Thesis, such issues have been addressed both experimentally and computationally by employing vibrational spectroscopy, which has shown to be an effective tool to investigate the variety of intermolecular interactions that play a key role in self-assembling mechanisms of nucleic acid components and their binding to mineral surfaces. In particular, in order to dissect the contributions of the different interactions to the overall spectroscopic signals and shed light on the intricate experimental data, feasible computational protocols have been developed for the characterization of the spectroscopic properties of such complex systems. This study has been carried out through a multi-step strategy, starting the investigation from the spectroscopic properties of the isolated nucleobases, then studying the perturbation induced by the interaction with another molecule (molecular dimers), towards condensed phases like the molecular solid, up to the case of nucleic acid components adsorbed on minerals. A proper modeling of these weakly bound molecular systems has required, firstly, a validation of dispersion-corrected Density Functional Theory methods for simulating anharmonic vibrational properties. The isolated nucleobases and some of their dimers have been used as benchmark set for identifying a general, reliable and effective computational procedure based on fully anharmonic quantum mechanical computations of the vibrational wavenumbers and infrared intensities within the generalized second order vibrational perturbation theory (GVPT2) approach, combined with the cost-effective dispersion-corrected density functional B3LYP-D3, in conjunction with basis sets of

  19. Infrared and laser-Raman spectroscopic studies of thermally-induced globular protein gels.

    Science.gov (United States)

    Clark, A H; Saunderson, D H; Suggett, A

    1981-03-01

    Infrared and laser-Raman spectroscopy have been used to follow secondary structure changes during the heat-set gelation of a number of aqueous (D2O) globular protein solutions. Measurements of the infrared Amide I' absorption band around 1650 cm-1, for BSA gels of varying clarity and texture, have shown that the very considerable variations in network structure underlying these materials are not reflected in obvious differences in secondary structure. In all cases aggregation is accompanied by development of beta-sheet of a kind common in fibrous protein systems, but for BSA at least this does not appear to vary significantly in amount from one gel type to another. Infrared studies of gels formed from other protein systems have confirmed this tendency for beta-sheet to develop during aggregation, and the tendency is further substantiated by laser-Raman evidence which provides the extra information that in most of the examples studied alpha-helix content simultaneously falls. From these, and other observations, some generalisations are made about the thermally-induced sol-to-gel transformations of globular proteins.

  20. A spectroscopic transfer standard for accurate atmospheric CO measurements

    Science.gov (United States)

    Nwaboh, Javis A.; Li, Gang; Serdyukov, Anton; Werhahn, Olav; Ebert, Volker

    2016-04-01

    Atmospheric carbon monoxide (CO) is a precursor of essential climate variables and has an indirect effect for enhancing global warming. Accurate and reliable measurements of atmospheric CO concentration are becoming indispensable. WMO-GAW reports states a compatibility goal of ±2 ppb for atmospheric CO concentration measurements. Therefore, the EMRP-HIGHGAS (European metrology research program - high-impact greenhouse gases) project aims at developing spectroscopic transfer standards for CO concentration measurements to meet this goal. A spectroscopic transfer standard would provide results that are directly traceable to the SI, can be very useful for calibration of devices operating in the field, and could complement classical gas standards in the field where calibration gas mixtures in bottles often are not accurate, available or stable enough [1][2]. Here, we present our new direct tunable diode laser absorption spectroscopy (dTDLAS) sensor capable of performing absolute ("calibration free") CO concentration measurements, and being operated as a spectroscopic transfer standard. To achieve the compatibility goal stated by WMO for CO concentration measurements and ensure the traceability of the final concentration results, traceable spectral line data especially line intensities with appropriate uncertainties are needed. Therefore, we utilize our new high-resolution Fourier-transform infrared (FTIR) spectroscopy CO line data for the 2-0 band, with significantly reduced uncertainties, for the dTDLAS data evaluation. Further, we demonstrate the capability of our sensor for atmospheric CO measurements, discuss uncertainty calculation following the guide to the expression of uncertainty in measurement (GUM) principles and show that CO concentrations derived using the sensor, based on the TILSAM (traceable infrared laser spectroscopic amount fraction measurement) method, are in excellent agreement with gravimetric values. Acknowledgement Parts of this work have been

  1. Preparation and spectroscopic analysis of zinc oxide nanorod thin films of different thicknesses

    Directory of Open Access Journals (Sweden)

    Mia Nasrul Haque

    2017-10-01

    Full Text Available Zinc oxide thin films with different thicknesses were prepared on microscopic glass slides by sol-gel spin coating method, then hydrothermal process was applied to produce zinc oxide nanorod arrays. The nanorod thin films were characterized by various spectroscopic methods of analysis. From the images of field emission scanning electron microscope (FESEM, it was observed that for the film thickness up to 200 nm the formed nanorods with wurtzite hexagonal structure were uniformly distributed over the entire surface substrate. From X-ray diffraction analysis it was revealed that the thin films had good polycrystalline nature with highly preferred c-axis orientation along (0 0 2 plane. The optical characterization done by UV-Vis spectrometer showed that all the films had high transparency of 83 % to 96 % in the visible region and sharp cut off at ultraviolet region of electromagnetic spectrum. The band gap of the films decreased as their thickness increased. Energy dispersive X-ray spectroscopy (EDS showed the presence of zinc and oxygen elements in the films and Fourier transform infrared spectroscopy (FT-IR revealed the chemical composition of ZnO in the film.

  2. Recent Characterization of the Night-Sky Irradiance in the Visible/Near-Infrared Spectral Band

    Science.gov (United States)

    Moore, Carolynn; Wood, Michael; Bender, Edward; Hart, Steve

    2018-01-01

    The U.S. Army RDECOM CERDEC NVESD has made numerous characterizations of the night sky over the past 45 years. Up until the last four years, the measurement devices were highly detector-limited, which led to low spectral resolution, marginal sensitivity in no-moon conditions, and the need for inferential analysis of the resulting data. In 2014, however, the PhotoResearch Model PR-745 spectro-radiometer established a new state of the art for measurement of the integrated night-sky irradiance over the Visible-to-Near-Infrared (VNIR) spectral band (400-1050nm). This has enabled characterization of no-moon night-sky irradiance with a spectral bandwidth less than 15 nanometers, even when this irradiance is attenuated by heavy clouds or forest canopy. Since 2014, we have conducted a series of night-sky data collections at remote sites across the United States. The resulting data has provided new insights into natural radiance variations, cultural lighting impacts, and the spectrally-varying attenuation caused by cloud cover and forest canopy. Several new metrics have also been developed to provide insight into these newly-found components and temporal variations. The observations, findings and conclusions of the above efforts will be presented, including planned near-term efforts to further characterize the night-sky irradiance in the Visible/Near-Infrared spectral band.

  3. Synthesis, characterization, and application of novel biodegradable self-assembled 2-(N-phthalimido) ethyl-palmitate nanoparticles for cancer therapy

    Science.gov (United States)

    Kasoju, Naresh; Bora, Debajeet K.; Bhonde, Ramesh R.; Bora, Utpal

    2010-03-01

    We report the synthesis of novel biodegradable nanoparticles (NPs) which can kill the cancer cells without any additional drug loading. The NP was a self-assembled form of a phthalimide based conjugate, in which the phthalimide moiety was responsible for the anticancer activity. We describe the synthesis of a novel 2-(N-phthalimido) ethyl palmitate (PHEP-Pal) conjugate and subsequent preparation of NPs by a simple self assembly process. The successful synthesis of conjugate was confirmed by various characterization studies including nuclear magnetic resonance spectroscope, Fourier transform infrared spectroscope, TOF-liquid chromatography mass spectroscope, differential scanning calorimetry, and X-ray diffraction unit. The synthesis, shape, size, and size distribution of PHEP-Pal NPs were determined by transmission electron microscope, atomic force microscope, and dynamic light scattering technique. Finally, cell culture studies using A549 and HeLa cells were done to evaluate the anticancer effect of PHEP-Pal NPs, which demonstrated the potency of these NPs for use in cancer chemotherapy.

  4. Ab initio study of the O4H(+) novel species: spectroscopic fingerprints to aid its observation.

    Science.gov (United States)

    Xavier, F George D; Hernández-Lamoneda, Rámon

    2015-06-28

    A detailed ab initio characterization of the structural, energetic and spectroscopic properties of the novel O4H(+) species is presented. The equilibrium structures and relative energies of all multiplet states have been determined systematically by analyzing static and dynamical correlation effects. The two and three body dissociation processes have been studied and indicate the presence of conical intersections in various states including the ground state. Comparison with available thermochemical data is very good, supporting the applied methodology. The reaction, H3(+) + O4→ O4H(+) + H2, was found to be exothermic ΔH = -19.4 kcal mol(-1) and therefore, it is proposed that the product in the singlet state could be formed in the interstellar medium (ISM) via collision processes. To aid in its laboratory or radioastronomy detection in the interstellar medium we determined spectroscopic fingerprints. It is estimated for the most stable geometry of O4H(+) dipole allowed electronic transitions in the visible region at 429 nm and 666 nm, an intense band at 1745 cm(-1) in the infrared and signals at 40.6, 81.2 and 139.2 GHz in the microwave region at 10, 50 and 150 K respectively, relevant for detection in the ISM.

  5. Performance overview of the Euclid infrared focal plane detector subsystems

    Science.gov (United States)

    Waczynski, A.; Barbier, R.; Cagiano, S.; Chen, J.; Cheung, S.; Cho, H.; Cillis, A.; Clémens, J.-C.; Dawson, O.; Delo, G.; Farris, M.; Feizi, A.; Foltz, R.; Hickey, M.; Holmes, W.; Hwang, T.; Israelsson, U.; Jhabvala, M.; Kahle, D.; Kan, Em.; Kan, Er.; Loose, M.; Lotkin, G.; Miko, L.; Nguyen, L.; Piquette, E.; Powers, T.; Pravdo, S.; Runkle, A.; Seiffert, M.; Strada, P.; Tucker, C.; Turck, K.; Wang, F.; Weber, C.; Williams, J.

    2016-07-01

    In support of the European space agency (ESA) Euclid mission, NASA is responsible for the evaluation of the H2RG mercury cadmium telluride (MCT) detectors and electronics assemblies fabricated by Teledyne imaging systems. The detector evaluation is performed in the detector characterization laboratory (DCL) at the NASA Goddard space flight center (GSFC) in close collaboration with engineers and scientists from the jet propulsion laboratory (JPL) and the Euclid project. The Euclid near infrared spectrometer and imaging photometer (NISP) will perform large area optical and spectroscopic sky surveys in the 0.9-2.02 μm infrared (IR) region. The NISP instrument will contain sixteen detector arrays each coupled to a Teledyne SIDECAR application specific integrated circuit (ASIC). The focal plane will operate at 100K and the SIDECAR ASIC will be in close proximity operating at a slightly higher temperature of 137K. This paper will describe the test configuration, performance tests and results of the latest engineering run, also known as pilot run 3 (PR3), consisting of four H2RG detectors operating simultaneously. Performance data will be presented on; noise, spectral quantum efficiency, dark current, persistence, pixel yield, pixel to pixel uniformity, linearity, inter pixel crosstalk, full well and dynamic range, power dissipation, thermal response and unit cell input sensitivity.

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

    Science.gov (United States)

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

    2015-12-01

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

  7. NOAA JPSS Visible Infrared Imaging Radiometer Suite (VIIRS) Sea Ice Characterization (SIC) Environmental Data Record (EDR) from IDPS

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This dataset contains an Environmental Data Record (EDR) of Sea Ice Characterization (SIC) from the Visible Infrared Imaging Radiometer Suite (VIIRS) instrument...

  8. Preparation, characterization and infrared emissivity study of helical polyurethane-SiO2 core-shell composite

    International Nuclear Information System (INIS)

    Wang Zhiqiang; Zhou Yuming; Yao Qingzhao; Sun Yanqing

    2009-01-01

    Helical polyurethane-SiO 2 (HPU-SiO 2 ) core-shell composite was prepared after surface modification of SiO 2 nanoparticles. HPU-SiO 2 was characterized by Fourier-transform infrared (FT-IR) spectroscopy, X-ray photoelectron spectroscopy (XPS), ultraviolet (UV) spectroscopy, X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results indicate that the helical polyurethane has been successfully grafted onto the surfaces of the modified SiO 2 . HPU-SiO 2 composite exhibits clearly core-shell structure. The ultraviolet absorption and crystallizability of HPU-SiO 2 are changed due to the shell of helical polyurethane, which possesses regular single-handed conformation and inter-chain hydrogen bonds. The infrared emissivity of HPU-SiO 2 was also investigated. The result indicates that the interfacial interactions between organic shell and inorganic core induce the infrared emissivity value being reduced from 0.781 for SiO 2 to 0.503 for HPU-SiO 2 .

  9. Mid-Infrared Spectrum of the Zodiacal Emission: Detection of Crystalline Silicates in Interplanetary Dust

    Science.gov (United States)

    Ootsubo, T.; Onaka, T.; Yamamura, I.; Ishihara, D.; Tanabe, T.; Roellig, T. L.

    2003-01-01

    Within a few astronomical units of the Sun the solar system is filled with interplanetary dust, which is believed to be dust of cometary and asteroidal origin. Spectroscopic observations of the zodiacal emission with moderate resolution provide key information on the composition and size distribution of the dust in the interplanetary space. They can be compared directly to laboratory measurements of candidate materials, meteorites, and dust particles collected in the stratosphere. Recently mid-infrared spectroscopic observations of the zodiacal emission have been made by two instruments on board the Infrared Space Observatory; the camera (ISOCAM) and the spectrophotometer (ISOPHOT-S). A broad excess emission feature in the 9-11 micron range is reported in the ISOCAM spectrum, whereas the ISOPHOT-S spectra in 6-12 microns can be well fitted by a blackbody radiation without spectral features.

  10. Characterization of the infrared spectra of serum from patients with multiple myeloma

    Energy Technology Data Exchange (ETDEWEB)

    Plotnikova, L., E-mail: ljusja@mail.ru; Nosenko, T.; Uspenskaya, M., E-mail: mv-uspenskaya@mail.ru [Saint Petersburg National Research University of Information Technologies, Mechanics and Optics, Kronverksky Pr., Saint Petersburg, 197101 (Russian Federation); Polyanichko, A. [Saint Petersburg State University, Universitetskaya Nab. 7/9, Saint Petersburg, 199034 (Russian Federation); Garifullin, A.; Voloshin, S. [Russian Scientific Research Institute of Hematology and Transfusiology, 2nd Sovetskaya Str. 16, Saint Petersburg, 191024 (Russian Federation)

    2016-08-02

    Multiple myeloma (MM) accounts for about 1% of all types of cancers. MM is characterized by the proliferation of a single clone of plasma cells, which may produce and secrete a homogeneous monoclonal immunoglobulin. The monoclonal immunoglobulin is commonly referred to as an M protein. The M protein acts as a serological “tumor” marker that is useful for diagnosis and disease monitoring. The electrophoretic pattern reveals the M-protein in 80% of MM patients as a single peak or localized band. In our study we applied a combination of high-resolution agarose gel protein electrophoresis (PEL), spectroscopic techniques and thermal analysis to identify the key differences in protein composition, protein structure and their thermal behavior for the samples obtained from the serum of MM patients and healthy donors.

  11. Task 1.11 - Spectroscopic field screening of hazardous waste and toxic spills. Semi-annual report, January 1 - June 30, 1995

    International Nuclear Information System (INIS)

    Gristanti, A.A.

    1995-01-01

    Techniques for the field characterization of soil contamination due to spillage of hazardous waste or toxic chemicals are time-consuming and expensive. Thus, more economical, less time-intensive methods are needed to facilitate rapid field screening of contaminated sites. In situ detection of toxic chemicals in soil offers both time and cost advantages for field screening with additional application to real-time site monitoring. Fourier-transform infrared (FT-IR) spectroscopy coupled with evanescent mode fiber-optic sensors has been demonstrated as a means to remotely detect and classify petroleum products in water using mid-infrared (MIR) optical fibers. This work demonstrated that a fiber-optic evanescent field absorbance sensor (EFAS) could be used to classify petroleum contamination into categories such as crude oil, kerosene, No. 2 fuel and residual distillates using the MIR spectral range. The overall objective of this project is to study the feasibility of using an EFAS FT-IR spectroscopic sensor coupled with cone penetrometry as a field screening method. The Fourier transform infrared cone penetrometry method (FT-IR-CPT) will be developed by building on the work cited above. The specific objectives of this project are: design an accessory for use with FT-IR that interfaces the spectrometer to a cone penetrometer; characterize the response of the FT-IR accessory to selected hydrocarbons in a laboratory-simulated field environment; and determine the ability of the FT-IR-CPT instrument to measure hydrocarbon contamination in soil by direct comparison with a reference method to quantify hydrocarbons from the same soil

  12. Spectroscopic characterization of the ethyl radical-water complex.

    Science.gov (United States)

    Lin, Chen; Finney, Brian A; Laufer, Allan H; Anglada, Josep M; Francisco, Joseph S

    2016-10-14

    An ab initio investigation has been employed to determine the structural and spectroscopic parameters, such as rotational constants, vibrational frequencies, vertical excitation energies, and the stability of the ethyl-water complex. The ethyl-water complex has a binding energy of 1.15 kcal⋅mol -1 . The interaction takes place between the hydrogen of water and the unpaired electron of the radical. This interaction is found to produce a red shift in the OH stretching bands of water of ca. 84 cm -1 , and a shift of all UV absorption bands to higher energies.

  13. Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family

    Science.gov (United States)

    Arrue, Lily; Rey, Marina; Rubilar-Hernandez, Carlos; Correa, Sebastian; Molins, Elies; Norambuena, Lorena; Zarate, Ximena; Schott, Eduardo

    2017-11-01

    Nitrogen compounds are widely investigated due to their pharmacological properties such as antihypertensive, antinociceptive, antibacterial, antifungal, analgesic, anticancer and inhibition activities and lately even as pesticide. In this context, we present the synthesis of new compounds: (E)-6-(3,4-dimethoxyphenyl)-3-(3-(3,4-dimethoxyphenyl)acryloyl)-1-(4-R-phenyl)- 5,6-dihydropyridazin-4(1H)-one (with R = sbnd H(1), -Cl(2), -Br(3), sbnd I(4) and sbnd COOH(5)) that was carried out by reaction of (1E, 6E)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione with a substituted phenylamine with general formula p-R-C6H4sbnd NH2 (R = sbnd H (1), sbnd Cl (2), -Br(3), sbnd I(4) and sbnd COOH(5)). This is the first synthesis report of a pyridazinone using as precursors a curcuminoid derivative and a diazonium salt formed in situ. All compounds were characterized by EA, FT-IR, UV-Vis, Emission,1H- and13C-NMR spectroscopy and the crystalline and molecular structure of 4 was solved by X-rays diffraction method. DFT and TD-DFT quantum chemical calculations were also employed to characterize the compounds and provide a rational explanation to the spectroscopic properties. To assess the biological activity of the systems, we focused on pesticide tests on compound 2, which showed an inhibitory effect in plant growth of Agrostis tenuis Higland.

  14. Infrared absorption of human breast tissues in vitro

    Energy Technology Data Exchange (ETDEWEB)

    Liu Chenglin [Department of Physics, Surface Physics Laboratory (National Key laboratory), Synchrotron Radiation Research Center, Fudan University, Shanghai 200433 (China); Physics Department of Yancheng Teachers' College, Yancheng 224002 (China); Zhang Yuan [Department of Physics, Surface Physics Laboratory (National Key laboratory), Synchrotron Radiation Research Center, Fudan University, Shanghai 200433 (China); Yan Xiaohui [Department of Physics, Surface Physics Laboratory (National Key laboratory), Synchrotron Radiation Research Center, Fudan University, Shanghai 200433 (China); Zhang Xinyi [Department of Physics, Surface Physics Laboratory (National Key laboratory), Synchrotron Radiation Research Center, Fudan University, Shanghai 200433 (China) and Shanghai Research Center of Acupuncture and Meridian, Pudong, Shanghai 201203 (China)]. E-mail: xy-zhang@fudan.edu.cn; Li Chengxiang [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029 (China); Yang Wentao [Cancer Hospital, Medical Center, Fudan University, Shanghai 200032 (China); Shi Daren [Cancer Hospital, Medical Center, Fudan University, Shanghai 200032 (China)

    2006-07-15

    The spectral characteristics of human breast tissues in normal status and during different cancerous stages have been investigated by synchrotron radiation based Fourier transform infrared (SR-FTIR) absorption spectroscopy. Thanks to the excellent synchrotron radiation infrared (IR) source, higher resolving power is achieved in SR-FTIR absorption spectra than in conventional IR absorption measurements. Obvious variations in IR absorption spectrum of breast tissues were found as they change from healthy to diseased, or say in progression to cancer. On the other hand, some specific absorption peaks were found in breast cancer tissues by SR-FTIR spectroscopic methods. These spectral characteristics of breast tissue may help us in early diagnosis of breast cancer.

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

    International Nuclear Information System (INIS)

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

    1989-01-01

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

  16. Synthesis and characterization of Tin / Titanium mixed oxide nanoparticles doped with lanthanide for biomarking

    International Nuclear Information System (INIS)

    Paganini, Paula Pinheiro

    2012-01-01

    This work presents the synthesis, characterization and photo luminescent study of tin and titanium mixed oxide nanoparticles doped with europium, terbium and neodymium to be used with luminescent markers on biological systems. The syntheses were done by co-precipitation, protein sol-gel and Pechini methods and the nanoparticles were characterized by infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy, X-ray diffraction and X-ray absorption spectroscopy. The photo luminescent properties studies were conducted for luminophores doped with europium, terbium and neodymium synthesized by coprecipitation method. For luminophore doped with europium it was possible to calculate the intensity parameters and quantum yield and it showed satisfactory results. In the case of biological system marking it was necessary the functionalization of these particles to allow them to bind to the biological part to be studied. So the nanoparticles were functionalized by microwave and Stöber methods and characterized by infrared spectroscopy, scanning electron microscopy, energy dispersive X-ray spectroscopy and X-ray diffraction obtaining qualitative response of functionalization efficacy. The ninhydrin spectroscopic method was used for quantification of luminophores functionalization. The photo luminescent studies of functionalized particles demonstrate the potential applying of these luminophores as luminescent markers. (author)

  17. Infrared characterization of strontium titanate thin films

    International Nuclear Information System (INIS)

    Almeida, B.G.; Pietka, A.; Mendes, J.A.

    2004-01-01

    Strontium titanate thin films have been prepared at different oxygen pressures with various post-deposition annealing treatments. The films were deposited by pulsed laser ablation at room temperature on Si(0 0 1) substrates with a silica buffer layer. Infrared reflectance measurements were performed in order to determine relevant film parameters such as layer thicknesses and chemical composition. The infrared reflectance spectra were fitted by using adequate dielectric function forms for each layer. The fitting procedure provided the extraction of the dielectric functions of the strontium titanate film, the silica layer and the substrate. The as-deposited films are found to be amorphous, and their infrared spectra present peaks corresponding to modes with high damping constants. As the annealing time and temperature increases the strontium titanate layer becomes more ordered so that it can be described by its SrTiO 3 bulk mode parameters. Also, the silica layer grows along with the ordering of the strontium titanate film, due to oxidation during annealing

  18. A new and fast in-situ spectroscopic infrared absorption measurement technique

    NARCIS (Netherlands)

    Hest, van M.F.A.M.; Klaver, A.; Sanden, van de M.C.M.

    2001-01-01

    Silicon oxide like films are deposited using an expanding thermal plasma (cascaded arc) in combination with HMDSO and oxygen as deposition precursors. These films are deposited at high rate (up to 200 nm/s). In general Fourier transform infrared (FTIR) reflection absorption spectroscopy is a useful

  19. Characterization of amorphous and nanocrystalline carbon films

    International Nuclear Information System (INIS)

    Chu, Paul K.; Li Liuhe

    2006-01-01

    Amorphous and nanocrystalline carbon films possess special chemical and physical properties such as high chemical inertness, diamond-like properties, and favorable tribological proprieties. The materials usually consist of graphite and diamond microstructures and thus possess properties that lie between the two. Amorphous and nanocrystalline carbon films can exist in different kinds of matrices and are usually doped with a large amount of hydrogen. Thus, carbon films can be classified as polymer-like, diamond-like, or graphite-like based on the main binding framework. In order to characterize the structure, either direct bonding characterization methods or the indirect bonding characterization methods are employed. Examples of techniques utilized to identify the chemical bonds and microstructure of amorphous and nanocrystalline carbon films include optical characterization methods such as Raman spectroscopy, Ultra-violet (UV) Raman spectroscopy, and infrared spectroscopy, electron spectroscopic and microscopic methods such as scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy, transmission electron microscopy, and electron energy loss spectroscopy, surface morphology characterization techniques such as scanning probe microscopy (SPM) as well as other characterization methods such as X-ray reflectivity and nuclear magnetic resonance. In this review, the structures of various types of amorphous carbon films and common characterization techniques are described

  20. Evolution of containment facilities for spectroscopic analysis at Rockwell Hanford Operations

    International Nuclear Information System (INIS)

    Hiller, J.M.

    1984-01-01

    The analysis of radioactive material requires much thought concerning getting the job done while still maintaining a safe working environment. A Rockwell Hanford Operations, several stages of evolution in instrumentation for spectroscopic elemental analysis have evolved, reflecting different philosophies respect to shielding and contamination control. Atomic absorption and inductively coupled plasma emission spectroscopic systems have been used for analyzing samples in support of a fission product recovery plant, nuclear waste processing and characterization programs, and U and Pu separation plants. Design thoughts, criticisms, and lessons learned in 20 years of containment for spectroscopic analysis are presented

  1. Characterization of silver halide fiber optics and hollow silica waveguides for use in the construction of a mid-infrared attenuated total reflection fourier transform infrared (ATR FT-IR) spectroscopy probe.

    Science.gov (United States)

    Damin, Craig A; Sommer, André J

    2013-11-01

    Advances in fiber optic materials have allowed for the construction of fibers and waveguides capable of transmitting infrared radiation. An investigation of the transmission characteristics associated with two commonly used types of infrared-transmitting fibers/waveguides for prospective use in a fiber/waveguide-coupled attenuated total internal reflection (ATR) probe was performed. Characterization of silver halide polycrystalline fiber optics and hollow silica waveguides was done on the basis of the transmission of infrared light using a conventional fiber optic coupling accessory and an infrared microscope. Using the fiber optic coupling accessory, the average percent transmission for three silver halide fibers was 18.1 ± 6.1% relative to a benchtop reflection accessory. The average transmission for two hollow waveguides (HWGs) using the coupling accessory was 8.0 ± 0.3%. (Uncertainties in the relative percent transmission represent the standard deviations.) Reduced transmission observed for the HWGs was attributed to the high numerical aperture of the coupling accessory. Characterization of the fibers/waveguides using a zinc selenide lens objective on an infrared microscope indicated 24.1 ± 7.2% of the initial light input into the silver halide fibers was transmitted. Percent transmission obtained for the HWGs was 98.7 ± 0.1%. Increased transmission using the HWGs resulted from the absence or minimization of insertion and scattering losses due to the hollow air core and a better-matched numerical aperture. The effect of bending on the transmission characteristics of the fibers/waveguides was also investigated. Significant deviations in the transmission of infrared light by the solid-core silver halide fibers were observed for various bending angles. Percent transmission greater than 98% was consistently observed for the HWGs at the bending angles. The combined benefits of high percent transmission, reproducible instrument responses, and increased bending

  2. Structural characterization of ammonium uranate by infrared spectroscopy

    International Nuclear Information System (INIS)

    Rodriguez S, A.

    1994-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Ashraf Yehia El-Naggar

    2013-01-01

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

  4. The application of thermodynamic and spectroscopic techniques to adhesion in the polyimide/Ti 6-4 and polyphenylquinoxaline/Ti 6-4 systems

    Science.gov (United States)

    Dias, S.; Wightman, J. P.

    1984-01-01

    The results of calorimetric measurements of Ti adherend surfaces are presented. The measurements were carried out after several chemical pretreatments and after fracture of several lap shear samples aged at high temperature. The exact composition of the Ti samples was Ti(6 percent Al-4 percent V). The adhesives used were polyimides and polyphenylquinoxalines (PPQ). Each chemical pretreatment was accompanied by a unique spectroscopic feature which was characterized by XPS, SEM, and specular reflectance infrared spectroscopy. The energetics of the interaction between primer solutions and the Ti adherend were evaluated by microcalorimetry. Changes in the structure of the surface oxide layer upon heating of the adherend were deduced from immersion temperatures of the PI and PPQ solutions. The XPS and SEM data are given is a table.

  5. SpS1-Preparing for the harvest from large infrared surveys

    Science.gov (United States)

    Padgett, Deborah L.

    2010-11-01

    During the past decade, there has been a revolution in the availability of multi-wavelength astronomical surveys. From the Sloan Digital Sky Survey (SDSS) to the NRAO VLA Sky Survey (NVSS), astronomical research based on publicly accessible datasets is becoming standard practice in the community. Beginning with the Infrared Astronomical Satellite (IRAS) mission, infrared surveys have played a critical role in stellar astronomy by identifying cool and dusty stars worthy of spectroscopic characterization. IRAS' four photometric bands at 12, 25, 60, and 100 μm were ideal for detecting dusty circumstellar material. All-sky surveys like IRAS reveal the brightest members of each class of rare objects, optimizing their follow-up strategy. The case of debris disks around main sequence stars demonstrates this utility. IRAS detected dust disks around four nearby stars, Beta Pictoris, Fomalhaut, Epsilon Eridani, and Vega. The “Fabulous Four” remain the best studied debris disks, despite hundreds of additional examples discovered by the Spitzer Space Telescope. In the nearly 30 years since IRAS was launched, its highly reliable catalog of just 250000 sources, modest by modern standards, with arcminute scale resolution and 0.3 - 1 Jy sensitivity, has generated over 10,000 references in ADS. This is a success story by any measure.

  6. A spectroscopic atlas of post-AGB stars and planetary nebulae selected from the IRAS point source catalogue

    NARCIS (Netherlands)

    Suarez, O.; Garcia-Lario, P.; Manchado, A.; Manteiga, M.; Ulla, A.; Pottasch, S. R.

    2006-01-01

    Aims. We study the optical spectral properties of a sample of stars showing far infrared colours similar to those of well-known planetary nebulae. The large majority of them were unidentified sources or poorly known in the literature at the time when this spectroscopic survey started, some 15 years

  7. Characterization and supercapacitor application of coin-like β-nickel hydroxide nanoplates

    International Nuclear Information System (INIS)

    Li Hongliang; Liu Suqin; Huang Chenghuan; Zhou Zhi; Li Yanhua; Fang Dong

    2011-01-01

    Coin-like nickel hydroxide nanoplates are synthesized via a simple coordination homogeneous precipitation method. The structure and morphology of as-prepared products are characterized by X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy and scanning electron microscopy. It is demonstrated that the products are typical β-nickel hydroxide with bunches coin-like nanoplates morphology. The electrochemical properties of coin-like β-Ni(OH) 2 are examined by cyclic voltammetric, chronopotentiometry and electrochemical impedance spectroscope. Cyclic voltammetric studies show that the electrodes have good reversibility. A specific capacitance of 1532 F g −1 is obtained at a charge/discharge current density of 0.2 A g −1 .

  8. Spectroscopic identification of rare earth elements in phosphate glass

    Science.gov (United States)

    Devangad, Praveen; Tamboli, Maktum; Muhammed Shameem, K. M.; Nayak, Rajesh; Patil, Ajeetkumar; Unnikrishnan, V. K.; Santhosh, C.; Kumar, G. A.

    2018-01-01

    In this work, rare earth-doped phosphate glasses were synthesized and characterized using three different spectroscopic techniques. The absorption spectra of the prepared praseodymium (Pr) and samarium (Sm) doped glasses, recorded by a UV-VIS-NIR spectrophotometer, show the characteristic absorption bands of these elements. To confirm this inference, laser-induced fluorescence spectra of Pr and Sm were obtained at a laser excitation of 442 nm. Their emission bands are reported here. The elemental analysis of these samples was carried out using a laser-induced breakdown spectroscopy (LIBS) system. Characteristic emission lines of Pr and Sm have been identified and reported by the recorded LIBS spectra of glass samples. Results prove that using these three complimentary spectroscopic techniques (absorption, fluorescence and LIBS), we can meaningfully characterize rare earth-doped glass samples.

  9. Exciplex formation in bimolecular photoinduced electron-transfer investigated by ultrafast time-resolved infrared spectroscopy.

    Science.gov (United States)

    Koch, Marius; Letrun, Romain; Vauthey, Eric

    2014-03-12

    The dynamics of bimolecular photoinduced electron-transfer reactions has been investigated with three donor/acceptor (D/A) pairs in tetrahydrofuran (THF) and acetonitrile (ACN) using a combination of ultrafast spectroscopic techniques, including time-resolved infrared absorption. For the D/A pairs with the highest driving force of electron transfer, all transient spectroscopic features can be unambiguously assigned to the excited reactant and the ionic products. For the pair with the lowest driving force, three additional transient infrared bands, more intense in THF than in ACN, with a time dependence that differs from those of the other bands are observed. From their frequency and solvent dependence, these bands can be assigned to an exciplex. Moreover, polarization-resolved measurements point to a relatively well-defined mutual orientation of the constituents and to a slower reorientational time compared to those of the individual reactants. Thanks to the minimal overlap of the infrared signature of all transient species in THF, a detailed reaction scheme including the relevant kinetic and thermodynamic parameters could be deduced for this pair. This analysis reveals that the formation and recombination of the ion pair occur almost exclusively via the exciplex.

  10. Computational and variable-temperature infrared spectroscopic studies on carbon monoxide adsorption on zeolite Ca-A.

    Science.gov (United States)

    Pulido, Angeles; Nachtigall, Petr; Rodríguez Delgado, Montserrat; Otero Areán, Carlos

    2009-05-11

    Carbon monoxide adsorption on LTA (Linde type 5A) zeolite Ca-A is studied by using a combination of variable-temperature infrared spectroscopy and computational methods involving periodic density functional calculations and the correlation between stretching frequency and bond length of adsorbed CO species (nu(CO)/r(CO) correlation). Based on the agreement between calculated and experimental results, the main adsorption species can be identified as bridged Ca(2+)...CO...Ca(2+) complexes formed on dual-cation sites constituted by a pair of nearby Ca(2+) cations. Two types of such species can be formed: One of them has the two Ca(2+) ions located on six-membered rings of the zeolite framework and is characterized by a C-O stretching frequency in the range of 2174-2179 cm(-1) and an adsorption enthalpy of -31 to -33 kJ mol(-1), whereas the other bridged CO species is formed between a Ca(2+) ion located on an eight-membered ring and another one on a nearby six-membered ring and is characterized by nu(CO) in the range 2183-2188 cm(-1) and an adsorption enthalpy of -46 to -50 kJ mol(-1). Ca(2+)...CO monocarbonyl complexes are also identified, and at a relatively high CO equilibrium pressure, dicarbonyl species can also be formed.

  11. Physicochemical and Spectroscopic Characterization of Biofield Treated Triphenyl Phosphate

    OpenAIRE

    Trivedi, Mahendra

    2015-01-01

    Triphenyl phosphate (TPP) is a triester of phosphoric acid and phenol. It is commonly used as a fire-retarding agent and plasticizer for nitrocellulose and cellulose acetate. The present study was an attempt to evaluate the impact of biofield treatment on physicochemical and spectroscopic properties of TPP. The study was carried out in two groups i.e. control and treatment. The treatment group was subjected to Mr. Trivedi's biofield treatment. The control and treated samples of TPP were chara...

  12. Ischemia monitoring in off-pump coronary artery bypass surgery using intravascular near-infrared spectroscopy

    Directory of Open Access Journals (Sweden)

    Zerkowski Hans-Reinhard

    2006-05-01

    Full Text Available Abstract Background In off-pump coronary artery bypass surgery, manipulations on the beating heart can lead to transient interruptions of myocardial oxygen supply, which can generate an accumulation of oxygen-dependent metabolites in coronary venous blood. The objective of this study was to evaluate the reliability of intravascular near-infrared spectroscopy as a monitoring method to detect possible ischemic events in off-pump coronary artery bypass procedures. Methods In 15 elective patients undergoing off-pump myocardial revascularization, intravascular near-infrared spectroscopic analysis of coronary venous blood was performed. NIR signals were transferred through a fiberoptic catheter for signal emission and collection. For data analysis and processing, a miniature spectrophotometer with multivariate statistical package was used. Signal acquisition and analysis were performed before and after revascularization. Spectroscopic data were compared with hemodynamic parameters, electrocardiogram, transesophageal echocardiography and laboratory findings. Results A conversion to extracorporeal circulation was not necessary. The mean number of grafts per patient was 3.1 ± 0.6. An intraoperative myocardial ischemia was not evident, as indicated by electrocardiogram and transesophageal echocardiography. Continuous spectroscopic analysis showed reproducible absorption spectra of coronary sinus blood. Due to uneventful intraoperative courses, clear ischemia-related changes could be detected in none of the patients. Conclusion Our initial results show that intravascular near-infrared spectroscopy can reliably be used for an online intraoperative ischemia monitoring in off-pump coronary artery bypass surgery. However, the method has to be further evaluated and standardized to determine the role of spectroscopy in off-pump coronary artery bypass surgery.

  13. NGC 1980 Is Not a Foreground Population of Orion: Spectroscopic Survey of Young Stars with Low Extinction in Orion A

    International Nuclear Information System (INIS)

    Fang, Min; Kim, Jinyoung Serena; Apai, Dániel; Pascucci, Ilaria; Zhang, Lan; Sicilia-Aguilar, Aurora; Alonso-Martínez, Miguel; Eiroa, Carlos; Wang, Hongchi

    2017-01-01

    We perform a spectroscopic survey of the foreground population in Orion A with MMT/Hectospec. We use these data, along with archival spectroscopic data and photometric data, to derive spectral types, extinction values, and masses for 691 stars. Using the Spitzer Space Telescope data, we characterize the disk properties of these sources. We identify 37 new transition disk (TD) objects, 1 globally depleted disk candidate, and 7 probable young debris disks. We discover an object with a mass of less than 0.018–0.030 M ⊙ , which harbors a flaring disk. Using the H α emission line, we characterize the accretion activity of the sources with disks, and confirm that the fraction of accreting TDs is lower than that of optically thick disks (46% ± 7% versus 73% ± 9%, respectively). Using kinematic data from the Sloan Digital Sky Survey and APOGEE INfrared Spectroscopy of the Young Nebulous Clusters program (IN-SYNC), we confirm that the foreground population shows similar kinematics to their local molecular clouds and other young stars in the same regions. Using the isochronal ages, we find that the foreground population has a median age of around 1–2 Myr, which is similar to that of other young stars in Orion A. Therefore, our results argue against the presence of a large and old foreground cluster in front of Orion A.

  14. NGC 1980 Is Not a Foreground Population of Orion: Spectroscopic Survey of Young Stars with Low Extinction in Orion A

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Min; Kim, Jinyoung Serena; Apai, Dániel [Department of Astronomy, University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States); Pascucci, Ilaria [Department of Planetary Sciences, University of Arizona, 1629 East University Boulevard, Tucson, AZ 85721 (United States); Zhang, Lan [Key Lab of Optical Astronomy, National Astronomical Observatories, CAS, 20A Datun Road, Chaoyang District, 100012 Beijing (China); Sicilia-Aguilar, Aurora [SUPA, School of Physics and Astronomy, University of St. Andrews, North Haugh, St. Andrews KY16 9SS (United Kingdom); Alonso-Martínez, Miguel; Eiroa, Carlos [Departamento de Fisica Teorica, Facultad de Ciencias, Universidad Autonoma de Madrid, E-28049 Cantoblanco, Madrid (Spain); Wang, Hongchi [Purple Mountain Observatory and Key Laboratory of Radio Astronomy, Chinese Academy of Sciences, 2 West Beijing Road, 210008 Nanjing (China)

    2017-04-01

    We perform a spectroscopic survey of the foreground population in Orion A with MMT/Hectospec. We use these data, along with archival spectroscopic data and photometric data, to derive spectral types, extinction values, and masses for 691 stars. Using the Spitzer Space Telescope data, we characterize the disk properties of these sources. We identify 37 new transition disk (TD) objects, 1 globally depleted disk candidate, and 7 probable young debris disks. We discover an object with a mass of less than 0.018–0.030 M {sub ⊙}, which harbors a flaring disk. Using the H α emission line, we characterize the accretion activity of the sources with disks, and confirm that the fraction of accreting TDs is lower than that of optically thick disks (46% ± 7% versus 73% ± 9%, respectively). Using kinematic data from the Sloan Digital Sky Survey and APOGEE INfrared Spectroscopy of the Young Nebulous Clusters program (IN-SYNC), we confirm that the foreground population shows similar kinematics to their local molecular clouds and other young stars in the same regions. Using the isochronal ages, we find that the foreground population has a median age of around 1–2 Myr, which is similar to that of other young stars in Orion A. Therefore, our results argue against the presence of a large and old foreground cluster in front of Orion A.

  15. The large scale infrared emission in the galactic plane - observations

    International Nuclear Information System (INIS)

    Okuda, H.

    1981-01-01

    Infrared radiation is deeply involved in a variety of matters and processes in the galaxy. Near infrared radiation is predominantly emitted by late type stars which include the major part of the mass in the Galaxy and hence govern its dynamics. Short wavelength radiation (UV and visible) emitted from early type stars is easily absorbed by dust around the stars themselves or by interstellar dust, and reemitted in middle or far infrared regions. A variety of emission lines, fine structure lines of neutral and ionized heavy elements, as well as many molecular lines are also clustered in the middle and far infrared regions. Since their line intensities are generally very weak, and, moreover, spectroscopic observations demand relatively difficult techniques in their detection, the surveys so far done have been limited mostly to continuum emission. This article compiles them and discusses briefly their implications to the structure of the Galaxy in its inner region. (Auth.)

  16. Mid-infrared and near-infrared spectroscopic study of selected magnesium carbonate minerals containing ferric iron-Implications for the geosequestration of greenhouse gases.

    Science.gov (United States)

    Frost, Ray L; Reddy, B Jagannadha; Bahfenne, Silmarilly; Graham, Jessica

    2009-04-01

    The proposal to remove greenhouse gases by pumping liquefied CO(2) several kilometres below the ground implies that many carbonate containing minerals will be formed. Among these minerals brugnatellite and coalingite are probable. Two ferric ion bearing minerals brugnatellite and coalingite with a hydrotalcite-like structure have been characterised by a combination of infrared and near-infrared (NIR) spectroscopy. The infrared spectra of the OH stretching region are characterised by OH and water stretching vibrations. Both the first and second fundamental overtones of these bands are observed in the NIR spectra in the 7030-7235 cm(-1) and 10,490-10,570 cm(-1) regions. Intense (CO(3))(2-) symmetric and antisymmetric stretching vibrations support the concept that the carbonate ion is distorted. The position of the water bending vibration indicates the water is strongly hydrogen bonded in the mineral structure. Split NIR bands at around 8675 and 11,100 cm(-1) indicate that some replacement of magnesium ions by ferrous ions in the mineral structure has occurred. Near-infrared spectroscopy is ideal for the assessment of the formation of carbonate minerals.

  17. Evolution of containment facilities for spectroscopic analysis at Rockwell Hanford Operations

    International Nuclear Information System (INIS)

    Hiller, J.M.

    1984-01-01

    The analysis of radioactive material requires much thought concerning getting the job done while still maintaining a safe working environment. At Rockwell Hanford Operations, we have gone through several stages of evolution in instrumentation for spectroscopic elemental analysis, reflecting different philosophies with respect to shielding and contamination control. Atomic absorption and inductively coupled plasma emission spectroscopic systems have been used for analyzing samples in support of a fission product recovery plant, nuclear waste processing and characterization programs, and U and Pu separation plants. Design thoughts, criticisms, and lessons learned in 20 years of containment for spectroscopic analysis are presented. 3 refs., 6 figs., 2 tabs

  18. Spectroscopic and nonlinear photophysical characterization of organic octupolar-compounds supported by anodic-alumina nanotube-arrays

    International Nuclear Information System (INIS)

    Morales-Saavedra, O.G.; Ontiveros-Barrera, F.G.; Hennrich, G.; Mata-Zamora, M.E.; Rodriguez-Rosales, A.A.; Banuelos, J.G.

    2011-01-01

    Highlights: → Preparation of organic-inorganic nanostructured hybrid materials. → Insertion of octupolar compounds in alumina nanotube arrays. → Linear and nonlinear photophysical characterization of solid-state hybrid structures. → Fabrication of photonic materials. - Abstract: Amorphous anodic alumina membranes (AAM) comprising highly ordered nanometric porous arrays (porous anodic aluminas: PAA) with 1D-nanotube dimensions of ∼75 nm in diameter and 45 microns in depth were successfully prepared and used as nanostructured host networks for different functionalized octupolar chromophores (named here Oct-(n)). Atomic force microscopy (AFM) studies performed on the developed hybrid systems confirmed a homogeneous insertion of these organic molecules into the PAA nanotube-arrays. Samples with high structural quality were selected for several photophysical characterizations: Comprehensive X-ray diffraction (XRD) and optical spectroscopic characterizations performed according to UV-vis absorption, photoluminescent (PL) and Raman measurements revealed the structural and optical performance of these molecules within the PAA-confinement. Since the implemented optical chromophores were specifically functionalized for nonlinear optical (NLO) applications, the obtained Oct-(n)/PAA-based amorphous hybrids were also characterized according to cubic NLO-techniques such as third harmonic generation (THG) and the Z-Scan method. PAA-confined octupolar chromophores have shown interesting linear and NLO optical properties which have not yet been intensively investigated in bulk hybrid systems; hence, the obtained hybrid nanostructures represent a promising field of investigation in the route to functional octupolar-based materials, where different self-assembled molecular structures may be formed, giving rise to enhanced linear and NLO-properties.

  19. Chemical and spectroscopic characterization of a vegetable oil used as dielectric coolant in distribution transformers

    Energy Technology Data Exchange (ETDEWEB)

    Gomez, Neffer A.; Abonia, Rodrigo, E-mail: rodrigo.abonia@correounivalle.edu.co [Departamento de Quimica, Escuela de Ingenieria Electrica, Universidad del Valle, Cali (Colombia); Cadavid, Hector [Grupo GRALTA, Escuela de Ingenieria Electrica, Universidad del Valle, Cali (Colombia); Vargas, Ines H. [Area de Ingenieria de Distribucion, Empresas Publicas de Medellin (EPM), Medellin (Colombia)

    2011-09-15

    In this work, a complete UV-Vis, IR and (1H, 13C and DEPT) NMR spectroscopic analysis was performed for a FR3 vegetable oil sample used as dielectric coolant in an experimental distribution transformer. The same spectroscopic analysis was performed for three used FR3 oil samples (i.e., 4 months in use, 8 months in use and 7 years in use), removed from several operating distribution transformers. Comparison of the data indicated that no significant spectroscopic changes, and hence, no structural changes occurred to the oils by the use. Chemical transformations like catalytic hydrogenation (hardening) and hydrolysis were performed to the FR3 oil sample and the obtained products were analyzed by spectroscopic methods in order to collect further structural information about the FR3 oil. Accelerated aging tests in laboratory were also performed for three FR3 oil samples affording interesting information about the structure of the degradation products. These findings would be valuable to search for a spectroscopy-based technique for monitoring the lifetime and performance of this insulating vegetable oil. (author)

  20. The convective noise floor for the spectroscopic detection of low mass companions to solar type stars

    Science.gov (United States)

    Deming, D.; Espenak, F.; Jennings, D. E.; Brault, J. W.

    1986-01-01

    The threshold mass for the unambiguous spectroscopic detection of low mass companions to solar type stars is defined here as the time when the maximum acceleration in the stellar radial velocity due to the Doppler reflex of the companion exceeds the apparent acceleration produced by changes in convection. An apparent acceleration of 11 m/s/yr in integrated sunlight was measured using near infrared Fourier transform spectroscopy. This drift in the apparent solar velocity is attributed to a lessening in the magnetic inhibition of granular convection as solar minimum approaches. The threshold mass for spectroscopic detection of companions to a one solar mass star is estimated at below one Jupiter mass.

  1. Characterizing the structure of lipodisq nanoparticles for membrane protein spectroscopic studies.

    Science.gov (United States)

    Zhang, Rongfu; Sahu, Indra D; Liu, Lishan; Osatuke, Anna; Comer, Raven G; Dabney-Smith, Carole; Lorigan, Gary A

    2015-01-01

    Membrane protein spectroscopic studies are challenging due to the difficulty introduced in preparing homogenous and functional hydrophobic proteins incorporated into a lipid bilayer system. Traditional membrane mimics such as micelles or liposomes have proved to be powerful in solubilizing membrane proteins for biophysical studies, however, several drawbacks have limited their applications. Recently, a nanosized complex termed lipodisq nanoparticles was utilized as an alternative membrane mimic to overcome these caveats by providing a homogeneous lipid bilayer environment. Despite all the benefits that lipodisq nanoparticles could provide to enhance the biophysical studies of membrane proteins, structural characterization in different lipid compositions that closely mimic the native membrane environment is still lacking. In this study, the formation of lipodisq nanoparticles using different weight ratios of POPC/POPG lipids to SMA polymers was characterized via solid-state nuclear magnetic resonance (SSNMR) spectroscopy and dynamic light scattering (DLS). A critical weight ratio of (1/1.25) for the complete solubilization of POPC/POPG vesicles has been observed and POPC/POPG vesicles turned clear instantaneously upon the addition of the SMA polymer. The size of lipodisq nanoparticles formed from POPC/POPG lipids at this weight ratio of (1/1.25) was found to be about 30 nm in radius. We also showed that upon the complete solubilization of POPC/POPG vesicles by SMA polymers, the average size of the lipodisq nanoparticles is weight ratio dependent, when more SMA polymers were introduced, smaller lipodisq nanoparticles were obtained. The results of this study will be helpful for a variety of biophysical experiments when specific size of lipid disc is required. Further, this study will provide a proper path for researchers working on membrane proteins to obtain pertinent structure and dynamic information in a physiologically relevant membrane mimetic environment

  2. Spectroscopic characterization of Au 3+ biosorption by waste biomass of Saccharomyces cerevisiae

    Science.gov (United States)

    Lin, Zhongyu; Wu, Jianming; Xue, Ru; Yang, Yong

    2005-02-01

    Some spectroscopic characteristics of Au 3+ biosorption by waste biomass of Saccharomyces cerevisiae have been reported in this paper. The effect of temperature on the correlation parameters of chemical kinetics and thermodynamics of the binding reaction was investigated by using AAS. XRD diffraction pattern of gold-loaded biomass revealed that the Au 3+ bound on the cell wall of the biomass had been reduced into gold particle. FTIR spectrophotometry on blank and gold-loaded biomass demonstrated that active groups such as the hydroxyl group of saccharides, and the carboxylate anion of amino-acid residues, from the peptidoglycan layer on the cell wall seem to be the sites for the Au 3+ binding, and the free aldehyde group of the hemiacetalic hydroxyl group from reducing sugars, i.e. the hydrolysates of the polysaccharides on the peptidoglycan layer, serving as the electron donor, in situ reduced the Au 3+ to Au 0. XPS and IR characterizations of the interaction between glucose and Au 3+ further supported that the reduction of Au 3+ to Au 0 can directly occur at the aldehyde group of the reducing sugars.

  3. Infrared characterization of environmental samples by pulsed photothermal spectroscopy

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  4. Spectroscopic and microscopic characterization of silver nanoparticles synthesized using Justicia adhatoda flower

    Science.gov (United States)

    Singh, Tej; Shekhawat, Dharmender Singh; Jyoti, Kumari

    2018-05-01

    The synthesis of silver nanoparticles (SNPs) by chemical and physical methods produce harmful products which may cause various environmental problems, thus, there is an increasing demand to use ecofriendly methods. Therefore, biosynthesis of SNPs using Justicia adhatoda flower extract is demonstrated in the present study. The biosynthesized SNPs were characterized by UV-visible spectroscopy, Fourier transform-infrared spectroscopy (FTIR), transmission electron microscopy (TEM), selected area electron diffraction (SAED) and atomic force microscopy (AFM) analysis. The result of UV-visible spectroscopy peaked at 417 nm corresponding to the plasmon absorbance of SNPs. The TEM and SAED result reveals the crystalline nature of SNPs. FTIR spectroscopy used to identify the possible biomolecules responsible for the conversion of silver ions to SNPs. The study concluded that Justicia adhatoda flower extract act as an excellent reducing agent and the green synthesized SNPs are safer to the environment.

  5. A Fully Customized Baseline Removal Framework for Spectroscopic Applications.

    Science.gov (United States)

    Giguere, Stephen; Boucher, Thomas; Carey, C J; Mahadevan, Sridhar; Dyar, M Darby

    2017-07-01

    The task of proper baseline or continuum removal is common to nearly all types of spectroscopy. Its goal is to remove any portion of a signal that is irrelevant to features of interest while preserving any predictive information. Despite the importance of baseline removal, median or guessed default parameters are commonly employed, often using commercially available software supplied with instruments. Several published baseline removal algorithms have been shown to be useful for particular spectroscopic applications but their generalizability is ambiguous. The new Custom Baseline Removal (Custom BLR) method presented here generalizes the problem of baseline removal by combining operations from previously proposed methods to synthesize new correction algorithms. It creates novel methods for each technique, application, and training set, discovering new algorithms that maximize the predictive accuracy of the resulting spectroscopic models. In most cases, these learned methods either match or improve on the performance of the best alternative. Examples of these advantages are shown for three different scenarios: quantification of components in near-infrared spectra of corn and laser-induced breakdown spectroscopy data of rocks, and classification/matching of minerals using Raman spectroscopy. Software to implement this optimization is available from the authors. By removing subjectivity from this commonly encountered task, Custom BLR is a significant step toward completely automatic and general baseline removal in spectroscopic and other applications.

  6. Syntheses and spectroscopic properties of mercury(II) and nickel(II ...

    African Journals Online (AJOL)

    Syntheses and spectroscopic properties of mercury(II) and nickel(II) ... The complexes were characterized by IR, diffuse reflectance, 1H NMR spectra and elemental ... coordinating through thiolato sulphur and hydrazinic nitrogen atoms.

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

    Science.gov (United States)

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

  8. Fourier Transform Infrared Spectroscopic Studies Of Wheat In The Mid Infrared

    Science.gov (United States)

    Olinger, Jill M.; Griffiths, Peter R.

    1989-12-01

    Official grain standards of the United States state that wheat may be divided into seven classes which are: Durum, Red Durum, Hard Red Spring, Hard Red Winter, Soft Red Winter, White, and Mixed.1 Most end uses of wheat involve converting the grain into flour through one of a variety of grinding methods. The quality of wheat-based products is often very dependent upon the type or class of wheat which was used to make the flour. Pasta products, for example, are made almost exclusively from the flour of durum wheats, which are the hardest of the wheats listed above. The highest quality breads are produced using flour from wheats classed as hard, whereas cakes, cookies and pastries are considered best when flour from wheats classed as soft are used. It is obvious then that the capability of determining the class of a particular wheat, especially with respect to hardness, is of economic importance to growers, processors, and merchants of wheat and wheat products. Hardness has been measured in many different ways 2-5 but, as of yet, no one method has become the method of choice. This paper reports on the use of principal components analysis (PCA) of mid infrared diffuse reflectance (DR) spectra of diluted ground wheats to aid in the classification of those wheats with respect to their hardness. The theory and mathematics involved in a principal component analysis have been described elsewhere.9

  9. The biocompatibility of carbon hydroxyapatite/β-glucan composite for bone tissue engineering studied with Raman and FTIR spectroscopic imaging.

    Science.gov (United States)

    Sroka-Bartnicka, Anna; Kimber, James A; Borkowski, Leszek; Pawlowska, Marta; Polkowska, Izabela; Kalisz, Grzegorz; Belcarz, Anna; Jozwiak, Krzysztof; Ginalska, Grazyna; Kazarian, Sergei G

    2015-10-01

    The spectroscopic approaches of FTIR imaging and Raman mapping were applied to the characterisation of a new carbon hydroxyapatite/β-glucan composite developed for bone tissue engineering. The composite is an artificial bone material with an apatite-forming ability for the bone repair process. Rabbit bone samples were tested with an implanted bioactive material for a period of several months. Using spectroscopic and chemometric methods, we were able to determine the presence of amides and phosphates and the distribution of lipid-rich domains in the bone tissue, providing an assessment of the composite's bioactivity. Samples were also imaged in transmission using an infrared microscope combined with a focal plane array detector. CaF2 lenses were also used on the infrared microscope to improve spectral quality by reducing scattering artefacts, improving chemometric analysis. The presence of collagen and lipids at the bone/composite interface confirmed biocompatibility and demonstrate the suitability of FTIR microscopic imaging with lenses in studying these samples. It confirmed that the composite is a very good background for collagen growth and increases collagen maturity with the time of the bone growth process. The results indicate the bioactive and biocompatible properties of this composite and demonstrate how Raman and FTIR spectroscopic imaging have been used as an effective tool for tissue characterisation.

  10. Chromatographic and spectroscopic analysis of heavy crude oil mixtures with emphasis in nuclear magnetic resonance spectroscopy: A review

    International Nuclear Information System (INIS)

    Silva, Sandra L.; Silva, Artur M.S.; Ribeiro, Jorge C.; Martins, Fernando G.; Da Silva, Francisco A.; Silva, Carlos M.

    2011-01-01

    Graphical abstract: The chromatographic and spectroscopic techniques used to characterize heavy crude oils, although more focused in the nuclear magnetic resonance spectroscopy as the technique of choice, due to its capability to provide great information on the chemical nature of individual types of proton and carbon atoms in different and complex mixtures of crude oils are described. This review is based on 65 references and describes in a critical and interpretative ways the advantages of the NMR spectroscopy as a main technique to be used in crude oil refining industries that want to characterize crude oil fractions and the obtained refined products. Highlights: ► Chromatogrfaphic and spectroscopic techniques used to characterize heavy crude oils have been reviewed. ► This review describes in a critical and interpretative ways the advantages of the NMR spectroscopy as a main technique to be used in crude oil refining industries. ► The progress in the interpretation of the NMR spectra and of different multivariate data analyses and their potential in the identification and characterization of hydrocarbons and their physical and chemical properties have also been reviewed. - Abstract: The state of the art in the characterization of heavy crude oil mixtures is presented. This characterization can be done by different techniques, such as gas chromatography (GC), high performance liquid chromatography (HPLC), thin layer chromatography (TLC), infrared spectroscopy (IR), Raman spectroscopy, nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). Nuclear magnetic resonance spectroscopy is the technique of choice due to its capability to provide information on the chemical nature of individual types of hydrogen and carbon atoms in different and complex mixtures of crude oils. The progress made in the interpretation of the NMR spectra with the development of new NMR techniques and different multivariate data analyses could give relevant

  11. A COMPARISON OF SPECTROSCOPIC VERSUS IMAGING TECHNIQUES FOR DETECTING CLOSE COMPANIONS TO KEPLER OBJECTS OF INTEREST

    International Nuclear Information System (INIS)

    Teske, Johanna K.; Everett, Mark E.; Hirsch, Lea; Furlan, Elise; Ciardi, David R.; Horch, Elliott P.; Howell, Steve B.; Gonzales, Erica; Crepp, Justin R.

    2015-01-01

    Kepler planet candidates require both spectroscopic and imaging follow-up observations to rule out false positives and detect blended stars. Traditionally, spectroscopy and high-resolution imaging have probed different host star companion parameter spaces, the former detecting tight binaries and the latter detecting wider bound companions as well as chance background stars. In this paper, we examine a sample of 11 Kepler host stars with companions detected by two techniques—near-infrared adaptive optics and/or optical speckle interferometry imaging, and a new spectroscopic deblending method. We compare the companion effective temperatures (T eff ) and flux ratios (F B /F A , where A is the primary and B is the companion) derived from each technique and find no cases where both companion parameters agree within 1σ errors. In 3/11 cases the companion T eff values agree within 1σ errors, and in 2/11 cases the companion F B /F A values agree within 1σ errors. Examining each Kepler system individually considering multiple avenues (isochrone mapping, contrast curves, probability of being bound), we suggest two cases for which the techniques most likely agree in their companion detections (detect the same companion star). Overall, our results support the advantage that the spectroscopic deblending technique has for finding very close-in companions (θ ≲ 0.″02–0.″05) that are not easily detectable with imaging. However, we also specifically show how high-contrast AO and speckle imaging observations detect companions at larger separations (θ ≥ 0.″02–0.″05) that are missed by the spectroscopic technique, provide additional information for characterizing the companion and its potential contamination (e.g., position angle, separation, magnitude differences), and cover a wider range of primary star effective temperatures. The investigation presented here illustrates the utility of combining the two techniques to reveal higher-order multiples in known

  12. A COMPARISON OF SPECTROSCOPIC VERSUS IMAGING TECHNIQUES FOR DETECTING CLOSE COMPANIONS TO KEPLER OBJECTS OF INTEREST

    Energy Technology Data Exchange (ETDEWEB)

    Teske, Johanna K. [Carnegie DTM, 5241 Broad Branch Road, NW, Washington, DC 20015 (United States); Everett, Mark E. [National Optical Astronomy Observatory, 950 N. Cherry Ave., Tucson, AZ 85719 (United States); Hirsch, Lea [Astronomy Department, University of California at Berkeley, Berkeley, CA 94720 (United States); Furlan, Elise; Ciardi, David R. [NASA Exoplanet Science Institute, California Institute of Technology, 770 South Wilson Ave., Pasadena, CA 91125 (United States); Horch, Elliott P. [Department of Physics, Southern Connecticut State University, 501 Crescent Street, New Haven, CT 06515 (United States); Howell, Steve B. [NASA Ames Research Center, Moffett Field, CA 94035 (United States); Gonzales, Erica; Crepp, Justin R., E-mail: jteske@carnegiescience.edu [Department of Physics, University of Notre Dame, 225 Nieuwland Science Hall, Notre Dame, IN 46556 (United States)

    2015-11-15

    Kepler planet candidates require both spectroscopic and imaging follow-up observations to rule out false positives and detect blended stars. Traditionally, spectroscopy and high-resolution imaging have probed different host star companion parameter spaces, the former detecting tight binaries and the latter detecting wider bound companions as well as chance background stars. In this paper, we examine a sample of 11 Kepler host stars with companions detected by two techniques—near-infrared adaptive optics and/or optical speckle interferometry imaging, and a new spectroscopic deblending method. We compare the companion effective temperatures (T{sub eff}) and flux ratios (F{sub B}/F{sub A}, where A is the primary and B is the companion) derived from each technique and find no cases where both companion parameters agree within 1σ errors. In 3/11 cases the companion T{sub eff} values agree within 1σ errors, and in 2/11 cases the companion F{sub B}/F{sub A} values agree within 1σ errors. Examining each Kepler system individually considering multiple avenues (isochrone mapping, contrast curves, probability of being bound), we suggest two cases for which the techniques most likely agree in their companion detections (detect the same companion star). Overall, our results support the advantage that the spectroscopic deblending technique has for finding very close-in companions (θ ≲ 0.″02–0.″05) that are not easily detectable with imaging. However, we also specifically show how high-contrast AO and speckle imaging observations detect companions at larger separations (θ ≥ 0.″02–0.″05) that are missed by the spectroscopic technique, provide additional information for characterizing the companion and its potential contamination (e.g., position angle, separation, magnitude differences), and cover a wider range of primary star effective temperatures. The investigation presented here illustrates the utility of combining the two techniques to reveal higher

  13. Infrared imaging microscopy of bone: illustrations from a mouse model of Fabry disease.

    Science.gov (United States)

    Boskey, Adele L; Goldberg, Michel; Kulkarni, Ashok; Gomez, Santiago

    2006-07-01

    Bone is a complex tissue whose composition and properties vary with age, sex, diet, tissue type, health and disease. In this review, we demonstrate how infrared spectroscopy and infrared spectroscopic imaging can be applied to the study of these variations. A specific example of mice with Fabry disease (a lipid storage disease) is presented in which it is demonstrated that the bones of these young animals, while showing typical spatial variation in mineral content, mineral crystal size, and collagen maturity, do not differ from the bones of age- and sex-matched wild type animals.

  14. Neodymium-doped nanoparticles for infrared fluorescence bioimaging: The role of the host

    Energy Technology Data Exchange (ETDEWEB)

    Rosal, Blanca del; Pérez-Delgado, Alberto; Rocha, Ueslen; Martín Rodríguez, Emma; Jaque, Daniel, E-mail: daniel.jaque@uam.es [Fluorescence Imaging Group, Dpto. de Física de Materiales, Facultad de Ciencias, Universidad Autónoma de Madrid, Campus de Cantoblanco, Madrid 28049 (Spain); Misiak, Małgorzata; Bednarkiewicz, Artur [Wroclaw Research Centre EIT+, ul. Stabłowicka 147, 54-066 Wrocław (Poland); Institute of Physics, University of Tartu, 14c Ravila Str., 50411 Tartu (Estonia); Vanetsev, Alexander S. [Institute of Low Temperature and Structure Research, PAS, ul. Okólna 2, 50-422 Wrocław (Poland); Orlovskii, Yurii [Institute of Low Temperature and Structure Research, PAS, ul. Okólna 2, 50-422 Wrocław (Poland); Prokhorov General Physics Institute RAS, 38 Vavilov Str., 119991 Moscow (Russian Federation); Jovanović, Dragana J.; Dramićanin, Miroslav D. [Vinča Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, Belgrade 11001 (Serbia); Upendra Kumar, K.; Jacinto, Carlos [Grupo de Fotônica e Fluidos Complexos, Instituto de Física, Universidade Federal de Alagoas, 57072-900 Maceió-AL (Brazil); Navarro, Elizabeth [Depto. de Química, Eco Catálisis, UAM-Iztapalapa, Sn. Rafael Atlixco 186, México 09340, D.F (Mexico); and others

    2015-10-14

    The spectroscopic properties of different infrared-emitting neodymium-doped nanoparticles (LaF{sub 3}:Nd{sup 3+}, SrF{sub 2}:Nd{sup 3+}, NaGdF{sub 4}: Nd{sup 3+}, NaYF{sub 4}: Nd{sup 3+}, KYF{sub 4}: Nd{sup 3+}, GdVO{sub 4}: Nd{sup 3+}, and Nd:YAG) have been systematically analyzed. A comparison of the spectral shapes of both emission and absorption spectra is presented, from which the relevant role played by the host matrix is evidenced. The lack of a “universal” optimum system for infrared bioimaging is discussed, as the specific bioimaging application and the experimental setup for infrared imaging determine the neodymium-doped nanoparticle to be preferentially used in each case.

  15. LUMINOUS BURIED ACTIVE GALACTIC NUCLEI AS A FUNCTION OF GALAXY INFRARED LUMINOSITY REVEALED THROUGH SPITZER LOW-RESOLUTION INFRARED SPECTROSCOPY

    International Nuclear Information System (INIS)

    Imanishi, Masatoshi

    2009-01-01

    We present the results of Spitzer Infrared Spectrograph 5-35 μm low-resolution spectroscopic energy diagnostics of ultraluminous infrared galaxies (ULIRGs) at z> 0.15, classified optically as non-Seyferts. Based on the equivalent widths of polycyclic aromatic hydrocarbon emission and the optical depths of silicate dust absorption features, we searched for signatures of intrinsically luminous, but optically elusive, buried active galactic nuclei (AGNs) in these optically non-Seyfert ULIRGs. We then combined the results with those of non-Seyfert ULIRGs at z IR 12 L sun . We found that the energetic importance of buried AGNs clearly increases with galaxy infrared luminosity, becoming suddenly discernible in ULIRGs with L IR > 10 12 L sun . For ULIRGs with buried AGN signatures, a significant fraction of infrared luminosities can be accounted for by the detected buried AGN and modestly obscured (A V < 20 mag) starburst activity. The implied masses of spheroidal stellar components in galaxies for which buried AGNs become important roughly correspond to the value separating red massive and blue less-massive galaxies in the local universe. Our results may support the widely proposed AGN-feedback scenario as the origin of galaxy downsizing phenomena, where galaxies with currently larger stellar masses previously had higher AGN energetic contributions and star formation originating infrared luminosities, and have finished their major star formation more quickly, due to stronger AGN feedback.

  16. Fourier transform near-infrared spectroscopy application for sea salt quality evaluation.

    Science.gov (United States)

    Galvis-Sánchez, Andrea C; Lopes, João Almeida; Delgadillo, Ivonne; Rangel, António O S S

    2011-10-26

    Near-infrared (NIR) spectroscopy in diffuse reflectance mode was explored with the objective of discriminating sea salts according to their quality type (traditional salt vs "flower of salt") and geographical origin (Atlantic vs Mediterranean). Sea salts were also analyzed in terms of Ca(2+), Mg(2+), K(+), alkalinity, and sulfate concentrations to support spectroscopic results. High concentrations of Mg(2+) and K(+) characterized Atlantic samples, while a high Ca(2+) content was observed in traditional sea salts. A partial least-squares discriminant analysis model considering the 8500-7500 cm(-1) region permitted the discrimination of salts by quality types. The regions 4650-4350 and 5900-5500 cm(-1) allowed salts classification according to their geographical origin. It was possible to classify correctly 85.3 and 94.8% of the analyzed samples according to the salt type and to the geographical origin, respectively. These results demonstrated that NIR spectroscopy is a suitable and very efficient tool for sea salt quality evaluation.

  17. Quantification of changes in skin hydration and sebum after tape stripping using infrared spectroscopy

    Science.gov (United States)

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

    2017-02-01

    Skin barrier function relies on well balanced water and lipid system of stratum corneum. Optimal hydration and oiliness levels are indicators of skin health and integrity. We demonstrate an accurate and sensitive depth profiling of stratum corneum sebum and hydration levels using short wave infrared spectroscopy in the spectral range around 1720 nm. We demonstrate that short wave infrared spectroscopic technique combined with tape stripping can provide morequantitative and more reliable skin barrier function information in the low hydration regime, compared to conventional biophysical methods.

  18. The NASA Ames Polycyclic Aromatic Hydrocarbon Infrared Spectroscopic Database : The Computed Spectra

    NARCIS (Netherlands)

    Bauschlicher, C. W.; Boersma, C.; Ricca, A.; Mattioda, A. L.; Cami, J.; Peeters, E.; de Armas, F. Sanchez; Saborido, G. Puerta; Hudgins, D. M.; Allamandola, L. J.

    The astronomical emission features, formerly known as the unidentified infrared bands, are now commonly ascribed to polycyclic aromatic hydrocarbons (PAHs). The laboratory experiments and computational modeling done at the NASA Ames Research Center to create a collection of PAH IR spectra relevant

  19. Fiber Based Mid Infrared Supercontinuum Source for Spectroscopic Analysis in Food Production

    DEFF Research Database (Denmark)

    Ramsay, Jacob; Dupont, Sune Vestergaard Lund; Keiding, Søren Rud

    Optimization of sustainable food production is a worldwide challenge that is undergoing continuous development as new technologies emerge. Applying solutions for food analysis with novel bright and broad mid-infrared (MIR) light sources has the potential to meet the increasing demands for food...

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

    Science.gov (United States)

    Wang, Ting; Rodriguez-Saona, Luis E

    2012-08-01

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

  1. Characterizing K2 Candidate Planetary Systems Orbiting Low-Mass Stars. I. Classifying Low-Mass Host Stars Observed During Campaigns 1-7

    Science.gov (United States)

    Dressing, Courtney D.; Newton, Elisabeth R.; Schlieder, Joshua E.; Charbomeau, David; Krutson, Heather A.; Vanderburg, Andrew; Sinukoff, Evan

    2017-01-01

    We present near-infrared spectra for 144 candidate planetary systems identified during Campaigns 1-7 of the NASA K2 Mission. The goal of the survey was to characterize planets orbiting low-mass stars, but our Infrared Telescope Facility/SpeX and Palomar/TripleSpec spectroscopic observations revealed that 49% of our targets were actually giant stars or hotter dwarfs reddened by interstellar extinction. For the 72 stars with spectra consistent with classification as cool dwarfs (spectral types K3-M4), we refined their stellar properties by applying empirical relations based on stars with interferometric radius measurements. Although our revised temperatures are generally consistent with those reported in the Ecliptic Plane Input Catalog (EPIC), our revised stellar radii are typically 0.13 solar radius (39%) larger than the EPIC values, which were based on model isochrones that have been shown to underestimate the radii of cool dwarfs. Our improved stellar characterizations will enable more efficient prioritization of K2 targets for follow-up studies.

  2. Spectroscopic and antimicrobial studies of polystyrene films under ...

    Indian Academy of Sciences (India)

    Spectroscopic and antimicrobial studies of polystyrene films under air plasma and He-Ne laser treatment ... The parameters such as (1) surface area by contact angle measurements, (2) quality of material before and after treatment by SEM and FTIR spectra and (3) material characterization by UV-vis spectra were studied.

  3. Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements.

    Science.gov (United States)

    Weck, Philippe F; Kim, Eunja; Wang, Yifeng; Kruichak, Jessica N; Mills, Melissa M; Matteo, Edward N; Pellenq, Roland J-M

    2017-08-01

    Molecular structures of kerogen control hydrocarbon production in unconventional reservoirs. Significant progress has been made in developing model representations of various kerogen structures. These models have been widely used for the prediction of gas adsorption and migration in shale matrix. However, using density functional perturbation theory (DFPT) calculations and vibrational spectroscopic measurements, we here show that a large gap may still remain between the existing model representations and actual kerogen structures, therefore calling for new model development. Using DFPT, we calculated Fourier transform infrared (FTIR) spectra for six most widely used kerogen structure models. The computed spectra were then systematically compared to the FTIR absorption spectra collected for kerogen samples isolated from Mancos, Woodford and Marcellus formations representing a wide range of kerogen origin and maturation conditions. Limited agreement between the model predictions and the measurements highlights that the existing kerogen models may still miss some key features in structural representation. A combination of DFPT calculations with spectroscopic measurements may provide a useful diagnostic tool for assessing the adequacy of a proposed structural model as well as for future model development. This approach may eventually help develop comprehensive infrared (IR)-fingerprints for tracing kerogen evolution.

  4. Far-infrared elastic scattering proposal for the Avogadro Project's silicon spheres

    Science.gov (United States)

    Humayun, Muhammad Hamza; Khan, Imran; Azeem, Farhan; Chaudhry, Muhammad Rehan; Gökay, Ulaş Sabahattin; Murib, Mohammed Sharif; Serpengüzel, Ali

    2018-05-01

    Avogadro constant determines the number of particles in one mole of a substance, thus relating the molar mass of the substance to the mass of this substance. Avogadro constant is related to Système Internationale base units by defining the very concept of chemical quantity. Revisions of the base units created a need to redefine the Avogadro constant, where a collaborative work called the Avogadro Project is established to employ optical interferometry to measure the diameter of high quality 100 mm silicon spheres. We propose far-infrared spectroscopy for determining the Avogadro constant by using elastic scattering from the 100 mm Avogadro Project silicon spheres. Similar spectroscopic methods are already in use in the near-infrared, relating whispering gallery modes of the 1 mm silicon spheres to the diameter of the spheres. We present numerical simulations in the far-infrared and the near-infrared, as well as spatially scaled down elastic scattering measurements in the near-infrared. These numerical and experimental results show that, the diameter measurements of 100 mm single crystal silicon spheres with elastic scattering in the far-infrared can be considered as an alternative to optical interferometry.

  5. Spectroscopic and electrochemical study of the polynuclear clusters of ruthenium acetate

    International Nuclear Information System (INIS)

    Cipriano, C.

    1989-01-01

    The chemistry of the trinuclear clusters (Ru 3 O (C H 3 CO 2 ) 4 L 3 ) where L = imidazole, pyridine or pyrazine type of ligands, was investigated based on spectroscopic and electrochemical techniques. These complexes are of great interest from the point of view of their electronic and redox properties, providing multi site species for electron transfer processes. They were isolated in solid state, and characterized by means of elementary analyses and infrared spectra. The electrochemical behaviour in acetonitrile solution was typically reversible; the cyclic voltamograms exhibited a series of four or five mono electronic waves ascribed to the successive Ru I V Ru I I I Ru I I I / Ru I I I Ru I I I Ru I I I / ... Ru I I Ru I I Ru I I redox couples. The differences between the successive redox potentials were about 1 V, indicating strong metal-metal interaction in the trinuclear Ru 3 O centre. The E values were strongly sensitive to the nature of the N-heterocyclic ligand, increasing with the pi-acceptor properties of the pyridine and pyrazine derivatives, but in a much less pronounced way in the case of the imidazole derivatives. (author)

  6. Spectroscopic markers of the TR quaternary transition in human hemoglobin.

    Science.gov (United States)

    Schirò, Giorgio; Cammarata, Marco; Levantino, Matteo; Cupane, Antonio

    2005-04-01

    In this work, we use a sol-gel protocol to trap and compare the R and T quaternary states of both the deoxygenated (deoxyHb) and carbonmonoxide (HbCO) derivatives of human hemoglobin. The near infrared optical absorption band III and the infrared CO stretching band are used to detect the effect of quaternary structure on the spectral properties of deoxyHb and HbCO; comparison with myoglobin allows for an assessment of tertiary and quaternary contributions to the measured band shifts. The RT transition is shown to cause a blue shift of the band III by approximately 35 cm(-1) for deoxyHb and a red shift of the CO stretching band by only approximately 0.3 cm(-1) for HbCO. This clearly shows that quaternary structure changes are transmitted to the heme pocket and that effects on deoxyHb are much larger than on HbCO, at least as far as the band energies are concerned. Experiments performed in the ample temperature interval of 300-10K show that the above quaternary structure effects are "static" and do not influence the dynamic properties of the heme pocket, at least as probed by the temperature dependence of band III and of the CO stretching band. The availability of quaternary structure sensitive spectroscopic markers and the quantitative measurement of the quaternary structure contribution to band shifts will be of considerable help in the analysis of flash-photolysis experiments on hemoglobin. Moreover, it will enable one to characterize the dynamic properties of functionally relevant hemoglobin intermediates and to study the kinetics of both the T-->R and R-->T quaternary transitions through time-resolved spectroscopy.

  7. An assay of some thermal characteristics, chemical and ...

    African Journals Online (AJOL)

    methanol extracts which gave three spots with Rf values of 0.7, 0.6 and 0.5 was further characterized using Fourier Transform Infrared and Ultraviolet Spectroscopic methods. The Fourier Transform Infrared and Ultraviolet spectra suggested a 1, 2, ...

  8. Update from the Analysis of High Resolution Propane Spectra and the Interpretation of Titan's Infrared Spectra

    Science.gov (United States)

    Klavans, V.; Nixon, C.; Hewagama, T.; Jennings, D. E.

    2012-01-01

    Titan has an extremely thick atmosphere dominated by nitrogen, but includes a range of trace species such as hydrocarbons and nitriles. One such hydrocarbon is propane (C3H8). Propane has 21 active IR bands covering broad regions of the mid-infrared. Therefore, its ubiquitous signature may potentially mask weaker signatures of other undetected species with important roles in Titan's chemistry. Cassini's Composite Infrared Spectrometer (CIRS) observations of Titan's atmosphere hint at the presence of such molecules. Unfortunately, C3H8 line atlases for the vibration bands V(sub 8), V(sub 21), V(sub 20), and V(sub 7) (869, 922, 1054, and 1157 per centimeter, respectively) are not currently available for subtracting the C3H8 signal to reveal, or constrain, the signature of underlying chemical species. Using spectra previously obtained by Jennings, D. E., et al. at the McMath-Pierce FTIR at Kitt Peak, AZ, as the source and automated analysis utilities developed for this application, we are compiling an atlas of spectroscopic parameters for propane that characterize the ro-vibrational transitions in the above bands. In this paper, we will discuss our efforts for inspecting and fitting the aforementioned bands, present updated results for spectroscopic parameters including absolute line intensities and transition frequencies in HITRAN and GEISA formats, and show how these optical constants will be used in searching for other trace chemical species in Titan's atmosphere. Our line atlas for the V(sub 21) band contains a total number of 2971 lines. The band integrated strength calculated for the V(sub 21) band is 1.003 per centimeter per (centimeter-atm).

  9. Characterization of μc-Si:H/a-Si:H tandem solar cell structures by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Murata, Daisuke; Yuguchi, Tetsuya; Fujiwara, Hiroyuki

    2014-01-01

    In order to perform the structural characterization of Si thin-film solar cells having submicron-size rough textured surfaces, we have developed an optical model that can be utilized for the spectroscopic ellipsometry (SE) analysis of a multilayer solar cell structure consisting of hydrogenated amorphous silicon (a-Si:H) and microcrystalline silicon (μc-Si:H) layers fabricated on textured SnO 2 :F substrates. To represent the structural non-uniformity in the textured structure, the optical response has been calculated from two regions with different thicknesses of the Si layers. Moreover, in the optical model, the interface layers are modeled by multilayer structures assuming two-phase composites and the volume fractions of the phases in the layers are controlled by the structural curvature factor. The polarized reflection from the μc-Si:H layer that shows extensive surface roughening during the growth has also been modeled. In this study, a state-of-the-art solar cell structure with the textured μc-Si:H (2000 nm)/ZnO (100 nm)/a-Si:H (200 nm)/SnO 2 :F/glass substrate structure has been characterized. The μc-Si:H/a-Si:H textured structure deduced from our SE analysis shows remarkable agreement with that observed by transmission electron microscopy. From the above results, we have demonstrated the high-precision characterization of highly-textured μc-Si:H/a-Si:H solar cell structures. - Highlights: • Characterization of textured μc-Si:H/a-Si:H solar cell structures by ellipsometry • A new optical model using surface area and multilayer models • High precision characterization of submicron-range rough interface structures

  10. Site-Specific Characterization of Cytochrome P450cam Conformations by Infrared Spectroscopy.

    Science.gov (United States)

    Basom, Edward J; Maj, Michał; Cho, Minhaeng; Thielges, Megan C

    2016-06-21

    Conformational changes are central to protein function but challenging to characterize with both high spatial and temporal precision. The inherently fast time scale and small chromophores of infrared (IR) spectroscopy are well-suited for characterization of potentially rapidly fluctuating environments, and when frequency-resolved probes are incorporated to overcome spectral congestion, enable characterization of specific sites in proteins. We selectively incorporated p-cyanophenylalanine (CNF) as a vibrational probe at five distinct locations in the enzyme cytochrome P450cam and used IR spectroscopy to characterize the environments in substrate and/or ligand complexes reflecting those in the catalytic cycle. Molecular dynamics (MD) simulations were performed to provide a structural basis for spectral interpretation. Together the experimental and simulation data suggest that the CN frequencies are sensitive to both long-range influences, resulting from the particular location of a residue within the enzyme, as well as short-range influences from hydrogen bonding and packing interactions. The IR spectra demonstrate that the environments and effects of substrate and/or ligand binding are different at each position probed and also provide evidence that a single site can experience multiple environments. This study illustrates how IR spectroscopy, when combined with the spectral decongestion and spatial selectivity afforded by CNF incorporation, provides detailed information about protein structural changes that underlie function.

  11. Thermal and Chemical Characterization of Non-Metallic Materials Using Coupled Thermogravimetric Analysis and Infrared Spectroscopy

    Science.gov (United States)

    Huff, Timothy L.

    2002-01-01

    Thermogravimetric analysis (TGA) is widely employed in the thermal characterization of non-metallic materials, yielding valuable information on decomposition characteristics of a sample over a wide temperature range. However, a potential wealth of chemical information is lost during the process, with the evolving gases generated during thermal decomposition escaping through the exhaust line. Fourier Transform-Infrared spectroscopy (FT-IR) is a powerful analytical technique for determining many chemical constituents while in any material state, in this application, the gas phase. By linking these two techniques, evolving gases generated during the TGA process are directed into an appropriately equipped infrared spectrometer for chemical speciation. Consequently, both thermal decomposition and chemical characterization of a material may be obtained in a single sample run. In practice, a heated transfer line is employed to connect the two instruments while a purge gas stream directs the evolving gases into the FT-IR. The purge gas can be either high purity air or an inert gas such as nitrogen to allow oxidative and pyrolytic processes to be examined, respectively. The FT-IR data is collected realtime, allowing continuous monitoring of chemical compositional changes over the course of thermal decomposition. Using this coupled technique, an array of diverse materials has been examined, including composites, plastics, rubber, fiberglass epoxy resins, polycarbonates, silicones, lubricants and fluorocarbon materials. The benefit of combining these two methodologies is of particular importance in the aerospace community, where newly developing materials have little available data with which to refer. By providing both thermal and chemical data simultaneously, a more definitive and comprehensive characterization of the material is possible. Additionally, this procedure has been found to be a viable screening technique for certain materials, with the generated data useful in

  12. In situ characterization of thermal conductivities of irradiated solids by using ion beam heating and infrared imaging

    Energy Technology Data Exchange (ETDEWEB)

    Mondrik, Nicholas; Gigax, Jonathan; Wang, Xuemei; Price, Lloyd [Department of Nuclear Engineering, Texas A and M University, College Station, TX 77843 (United States); Wei, Chaochen [Materials Science and Engineering Department, Texas A and M University, College Station, TX 77843 (United States); Shao, Lin, E-mail: lshao@tamu.edu [Department of Nuclear Engineering, Texas A and M University, College Station, TX 77843 (United States); Materials Science and Engineering Department, Texas A and M University, College Station, TX 77843 (United States)

    2014-08-01

    We propose a method to characterize thermal properties of ion irradiated materials. This method uses an ion beam as a heating source to create a hot spot on sample surface. Infrared imaging is used as a surface temperature mapping tool to record hot zone spreading. Since ion energy, ion flux, and ion penetration depth can be precisely controlled, the beam heating data is highly reliable and repeatable. Using a high speed infrared camera to capture lateral spreading of the hot zone, thermal diffusivity can be readily extracted. The proposed method has advantages in studying radiation induced thermal property changes, for which radiation damage can be introduced by using an irradiating beam over a relatively large beam spot and beam heating can be introduced by using a focused testing beam over a relatively small beam spot. These two beams can be switched without breaking vacuum. Thus thermal conductivity changes can be characterized in situ with ion irradiation. The feasibility of the technique is demonstrated on a single crystal quartz substrate.

  13. In situ characterization of thermal conductivities of irradiated solids by using ion beam heating and infrared imaging

    International Nuclear Information System (INIS)

    Mondrik, Nicholas; Gigax, Jonathan; Wang, Xuemei; Price, Lloyd; Wei, Chaochen; Shao, Lin

    2014-01-01

    We propose a method to characterize thermal properties of ion irradiated materials. This method uses an ion beam as a heating source to create a hot spot on sample surface. Infrared imaging is used as a surface temperature mapping tool to record hot zone spreading. Since ion energy, ion flux, and ion penetration depth can be precisely controlled, the beam heating data is highly reliable and repeatable. Using a high speed infrared camera to capture lateral spreading of the hot zone, thermal diffusivity can be readily extracted. The proposed method has advantages in studying radiation induced thermal property changes, for which radiation damage can be introduced by using an irradiating beam over a relatively large beam spot and beam heating can be introduced by using a focused testing beam over a relatively small beam spot. These two beams can be switched without breaking vacuum. Thus thermal conductivity changes can be characterized in situ with ion irradiation. The feasibility of the technique is demonstrated on a single crystal quartz substrate

  14. Hydrate formation during wet granulation studied by spectroscopic methods and multivariate analysis

    DEFF Research Database (Denmark)

    Jørgensen, Anna; Rantanen, Jukka; Karjalainen, Milja

    2002-01-01

    PURPOSE: The aim was to follow hydrate formation of two structurally related drugs, theophylline and caffeine, during wet granulation using fast and nondestructive spectroscopic methods. METHODS: Anhydrous theophylline and caffeine were granulated with purified water. Charge-coupled device (CCD......) Raman spectroscopy was compared with near-infrared spectroscopy (NIR) in following hydrate formation of drugs during wet granulation (off-line). To perform an at-line process analysis, the effect of water addition was monitored by NIR spectroscopy and principal components analysis (PCA). The changes...

  15. Application of laboratory and portable attenuated total reflectance infrared spectroscopic approaches for rapid quantification of alpaca serum immunoglobulin G

    Science.gov (United States)

    Burns, Jennifer B.; Riley, Christopher B.; Shaw, R. Anthony; McClure, J. Trenton

    2017-01-01

    The objective of this study was to develop and compare the performance of laboratory grade and portable attenuated total reflectance infrared (ATR-IR) spectroscopic approaches in combination with partial least squares regression (PLSR) for the rapid quantification of alpaca serum IgG concentration, and the identification of low IgG (portable ATR-IR spectrometers. Various pre-processing strategies were applied to the ATR-IR spectra that were linked to corresponding RID-IgG concentrations, and then randomly split into two sets: calibration (training) and test sets. PLSR was applied to the calibration set and calibration models were developed, and the test set was used to assess the accuracy of the analytical method. For the test set, the Pearson correlation coefficients between the IgG measured by RID and predicted by both laboratory grade and portable ATR-IR spectrometers was 0.91. The average differences between reference serum IgG concentrations and the two IR-based methods were 120.5 mg/dL and 71 mg/dL for the laboratory and portable ATR-IR-based assays, respectively. Adopting an IgG concentration portable ATR-IR assay were 95, 99 and 99%, respectively. These results suggest that the two different ATR-IR assays performed similarly for rapid qualitative evaluation of alpaca serum IgG and for diagnosis of IgG portable ATR-IR spectrometer performed slightly better, and provides more flexibility for potential application in the field. PMID:28651006

  16. Non-invasive characterization and quality assurance of silicon micro-strip detectors using pulsed infrared laser

    Science.gov (United States)

    Ghosh, P.

    2016-01-01

    The Compressed Baryonic Matter (CBM) experiment at FAIR is composed of 8 tracking stations consisting of roughly 1300 double sided silicon micro-strip detectors of 3 different dimensions. For the quality assurance of prototype micro-strip detectors a non-invasive detector charaterization is developed. The test system is using a pulsed infrared laser for charge injection and characterization, called Laser Test System (LTS). The system is aimed to develop a set of characterization procedures which are non-invasive (non-destructive) in nature and could be used for quality assurances of several silicon micro-strip detectors in an efficient, reliable and reproducible way. The procedures developed (as reported here) uses the LTS to scan sensors with a pulsed infra-red laser driven by step motor to determine the charge sharing in-between strips and to measure qualitative uniformity of the sensor response over the whole active area. The prototype detector modules which are tested with the LTS so far have 1024 strips with a pitch of 58 μm on each side. They are read-out using a self-triggering prototype read-out electronic ASIC called n-XYTER. The LTS is designed to measure sensor response in an automatized procedure at several thousand positions across the sensor with focused infra-red laser light (spot size ≈ 12 μm, wavelength = 1060 nm). The pulse with a duration of ≈ 10 ns and power ≈ 5 mW of the laser pulse is selected such, that the absorption of the laser light in the 300 μm thick silicon sensor produces ≈ 24000 electrons, which is similar to the charge created by minimum ionizing particles (MIP) in these sensors. The laser scans different prototype sensors and various non-invasive techniques to determine characteristics of the detector modules for the quality assurance is reported.

  17. Near-infrared to Mid-infrared Observations of Galaxy Mergers: NGC 2782 and NGC 7727

    Science.gov (United States)

    Onaka, Takashi; Nakamura, Tomohiko; Sakon, Itsuki; Wu, Ronin; Ohsawa, Ryou; Kaneda, Hidehiro; Lebouteiller, Vianney; Roellig, Thomas L.

    2018-01-01

    We present the results of near-infrared-to-mid-infrared (NIR-to-MIR) imaging and NIR spectroscopic observations of two galaxy mergers, NGC 2782 (Arp 215) and NGC 7727 (Arp 222), with the Infrared Camera on board AKARI. NGC 2782 shows extended MIR emission in the eastern side of the galaxy, which corresponds to the eastern tidal tail seen in the H I 21 cm map, while NGC 7727 shows extended MIR emission in the north of the galaxy, which is similar to the plumes seen in the residual image at the K-band after subtracting a galaxy model. Both extended structures are thought to have formed in association with their merger events. They show excess emission at 7–15 μm, which can be attributed to emission from polycyclic aromatic hydrocarbons (PAHs), while the observed spectral energy distributions (SEDs) decline longward of 24 μm, suggesting that very small grains (VSGs) are deficient. These characteristics of the observed MIR SED may be explained if PAHs are formed by fragmentation of VSGs during merger events. The star formation rate is estimated from the MIR PAH emission in the eastern tail region of NGC 2782 and it is in fair agreement with those estimated from Hα and [C II] 158 μm. MIR observations are efficient for the study of dust processing and structures formed during merger events.

  18. [Study on expert system of infrared spectral characteristic of combustible smoke agent].

    Science.gov (United States)

    Song, Dong-ming; Guan, Hua; Hou, Wei; Pan, Gong-pei

    2009-05-01

    The present paper studied the application of expert system in prediction of infrared spectral characteristic of combustible anti-infrared smoke agent. The construction of the expert system was founded, based on the theory of minimum free energy and infrared spectral addition. After the direction of smoke agent was input, the expert system could figure out the final combustion products. Then infrared spectrogram of smoke could also be simulated by adding the spectra of all of the combustion products. Meanwhile, the screening index of smoke was provided in the wave bands of 3-5 im and 8-14 microm. FTIR spectroscope was used to investigate the performance of one kind of HC smoke. The combustion products calculated by the expert system were coincident with the actual data, and the simulant infrared spectrum was also similar to the real one of the smoke. The screening index given by the system was consistent with the known facts. It was showed that a new approach was offered for the fast discrimination of varieties of directions of smoke agent.

  19. Characterization of plasmonic effects in thin films and metamaterials using spectroscopic ellipsometry

    NARCIS (Netherlands)

    Oates, T.W.H.; Wormeester, Herbert; Arwin, H.

    2011-01-01

    In this article, spectroscopic ellipsometry studies of plasmon resonances at metal–dielectric interfaces of thin films are reviewed. We show how ellipsometry provides valuable non-invasive amplitude and phase information from which one can determine the effective dielectric functions, and how these

  20. Characterization and Analysis of a Multicolor Quantum Well Infrared Photodetector

    National Research Council Canada - National Science Library

    Hanson, Nathan A

    2006-01-01

    ...), mid-wavelength infrared (MWIR), and long-wavelength infrared (LWIR). Through photocurrent spectroscopy and performance analysis, this prototype detector can be classified and prepared for possible future use within the U.S. Armed Forces...

  1. The LAMOST Complete Spectroscopic Survey of Pointing Area (LaCoSSPAr) in the Southern Galactic Cap. I. The Spectroscopic Redshift Catalog

    Science.gov (United States)

    Yang, Ming; Wu, Hong; Yang, Fan; Lam, Man I.; Cao, Tian-Wen; Wu, Chao-Jian; Zhao, Pin-Song; Zhang, Tian-Meng; Zhou, Zhi-Min; Wu, Xue-Bing; Zhang, Yan-Xia; Shao, Zheng-Yi; Jing, Yi-Peng; Shen, Shi-Yin; Zhu, Yi-Nan; Du, Wei; Lei, Feng-Jie; He, Min; Jin, Jun-Jie; Shi, Jian-Rong; Zhang, Wei; Wang, Jian-Ling; Wu, Yu-Zhong; Zhang, Hao-Tong; Luo, A.-Li; Yuan, Hai-Long; Bai, Zhong-Rui; Kong, Xu; Gu, Qiu-Sheng; Zhou, Xu; Ma, Jun; Hu, Zou; Nie, Jun-Dan; Wang, Jia-Li; Zhang, Yong; Hou, Yong-Hui; Zhao, Yong-Heng

    2018-01-01

    We present a spectroscopic redshift catalog from the LAMOST Complete Spectroscopic Survey of Pointing Area (LaCoSSPAr) in the Southern Galactic Cap (SGC), which is designed to observe all sources (Galactic and extragalactic) by using repeating observations with a limiting magnitude of r=18.1 {mag} in two 20 {\\deg }2 fields. The project is mainly focusing on the completeness of LAMOST ExtraGAlactic Surveys (LEGAS) in the SGC, the deficiencies of source selection methods, and the basic performance parameters of the LAMOST telescope. In both fields, more than 95% of galaxies have been observed. A post-processing has been applied to the LAMOST 1D spectrum to remove the majority of remaining sky background residuals. More than 10,000 spectra have been visually inspected to measure the redshift by using combinations of different emission/absorption features with an uncertainty of {σ }z/(1+z)visual inspection. Our analysis also indicates that up to one-fourth of the input targets for a typical extragalactic spectroscopic survey might be unreliable. The multi-wavelength data analysis shows that the majority of mid-infrared-detected absorption (91.3%) and emission line galaxies (93.3%) can be well separated by an empirical criterion of W2-W3=2.4. Meanwhile, a fainter sequence paralleled to the main population of galaxies has been witnessed both in M r /W2-W3 and M */W2-W3 diagrams, which could be the population of luminous dwarf galaxies but contaminated by the edge-on/highly inclined galaxies (∼ 30 % ).

  2. Gemini Spectroscopic Survey of Young Intermediate-Mass Star-Forming Regions

    Science.gov (United States)

    Lundquist, Michael; Kobulnicky, Henry

    2018-01-01

    The majority of stars form in embedded clusters. Current research into star formation has focused on either high-mass star-forming regions or low-mass star-forming regions. We present the results from a Gemini spectroscopic survey of young intermediate-mass star-forming regions. These are star forming regions selected to produce stars up to but not exceeding 8 solar masses. We obtained spectra of these regions with GNIRS on Gemini North and Flamingos-2 on Gemini South. We also combine this with near-infrared imaging from 2MASS, UKIDSS, and VVV to study the stellar content.

  3. Mars Infrared Spectroscopy: From Theory and the Laboratory To Field Observations

    Science.gov (United States)

    Kirkland, Laurel (Editor); Mustard, John (Editor); McAfee, John (Editor); Hapke, Bruce (Editor); Ramsey, Michael (Editor)

    2002-01-01

    The continuity and timely implementation of the Mars exploration strategy relies heavily on the ability of the planetary community to interpret infrared spectral data. However, the increasing mission rate, data volume, and data variety, combined with the small number of spectroscopists within the planetary community, will require a coordinated community effort for effective and timely interpretation of the newly acquired and planned data sets. Relevant spectroscopic instruments include the 1996 TES, 2001 THEMIS, 2003 Pancam, 2003 Mini-TES, 2003 Mars Express OMEGA, 2003 Mars Express PFS, and 2005 CFUSM. In light of that, leaders of the Mars spectral community met June 4-6 to address the question: What terrestrial theoretical, laboratory, and field studies are most needed to best support timely interpretations of current and planned visible infrared spectrometer data sets, in light of the Mars Program goals? A primary goal of the spectral community is to provide a reservoir of information to enhance and expand the exploration of Mars. Spectroscopy has a long history of providing the fundamental compositional discoveries in the solar system, from atmospheric constituents to surface mineralogy, from earth-based to spacecraft-based observations. However, such spectroscopic compositional discoveries, especially surface mineralogies, have usually come after long periods of detailed integration of remote observations, laboratory analyses, and field measurements. Spectroscopic information of surfaces is particularly complex and often is confounded by interference of broad, overlapping absorption features as well as confusing issues of mixtures, coatings, and grain size effects. Thus some spectroscopic compositional discoveries have come only after many years of research. However, we are entering an era of Mars exploration with missions carrying sophisticated spectrometers launching about every 2 years. It is critical that each mission provide answers to relevant questions

  4. End-to-End Assessment of a Large Aperture Segmented Ultraviolet Optical Infrared (UVOIR) Telescope Architecture

    Science.gov (United States)

    Feinberg, Lee; Bolcar, Matt; Liu, Alice; Guyon, Olivier; Stark,Chris; Arenberg, Jon

    2016-01-01

    Key challenges of a future large aperture, segmented Ultraviolet Optical Infrared (UVOIR) Telescope capable of performing a spectroscopic survey of hundreds of Exoplanets will be sufficient stability to achieve 10-10 contrast measurements and sufficient throughput and sensitivity for high yield Exo-Earth spectroscopic detection. Our team has collectively assessed an optimized end to end architecture including a high throughput coronagraph capable of working with a segmented telescope, a cost-effective and heritage based stable segmented telescope, a control architecture that minimizes the amount of new technologies, and an Exo-Earth yield assessment to evaluate potential performance.

  5. Estimation of raw material performance in mammalian cell culture using near infrared spectra combined with chemometrics approaches.

    Science.gov (United States)

    Lee, Hae Woo; Christie, Andrew; Liu, Jun Jay; Yoon, Seongkyu

    2012-01-01

    Understanding variability in raw materials and their impacts on product quality is of critical importance in the biopharmaceutical manufacturing processes. For this purpose, several spectroscopic techniques have been studied for raw material characterization, providing fast and nondestructive ways to measure quality of raw materials. However, investigations of correlation between spectra of raw materials and cell culture performance have been scarce due to their complexity and uncertainty. In this study, near-infrared spectra and bioassays of multiple soy hydrolysate lots manufactured by different vendors were analyzed using chemometrics approaches in order to address variability of raw materials as well as correlation between raw material properties and corresponding cell culture performance. Principal component analysis revealed that near-infrared spectra of different soy lots contain enough physicochemical information about soy hydrolysates to allow identification of lot-to-lot variability as well as vendor-to-vendor differences. The identified compositional variability was further analyzed in order to estimate cell growth and protein production of two mammalian cell lines under the condition of varying soy dosages using partial least square regression combined with optimal variable selection. The performance of the resulting models demonstrates the potential of near-infrared spectroscopy as a robust lot selection tool for raw materials while providing a biological link between chemical composition of raw materials and cell culture performance. Copyright © 2012 American Institute of Chemical Engineers (AIChE).

  6. Spectroscopic characterization, antimicrobial activity, DFT computation and docking studies of sulfonamide Schiff bases

    Science.gov (United States)

    Mondal, Sudipa; Mandal, Santi M.; Mondal, Tapan Kumar; Sinha, Chittaranjan

    2017-01-01

    Schiff bases synthesised from the condensation of 2-(hydroxy)naphthaldehyde and sulfonamides (sufathiazole (STZ), sulfapyridine (SPY), sulfadiazine (SDZ), sulfamerazine (SMZ) and sulfaguanidine (SGN)) are characterized by different spectroscopic data (FTIR, UV-Vis, Mass, NMR) and two of them, (E)-4-(((2-hydroxynaphthalen-1-yl)methylene)amino)-N-(thiazol-2-yl)benzenesulfonamide (1a) and (E)-N-(diaminomethylene)-4-(((2-hydroxynaphthalen-1-yl)methylene)amino)benzenesulfonamide (1e) have been confirmed by single crystal X-ray structure determination. Antimicrobial activities of the Schiff bases have been evaluated against certified and resistant Gram positive (Staphylococcus aureus, Enterococcus facelis) and Gram negative (Streptococcus pyogenes, Salmonella typhi, Shigella dysenteriae, Shigella flexneri, Klebsiella pneumonia) pathogens. Performance of Schiff base against the resistant pathogens are better than standard stain and MIC data lie 32-128 μg/ml while parent sulfonamides are effectively inactive (MIC >512 μg/ml). The DFT optimized structures of the Schiff bases have been used to accomplish molecular docking studies with DHPS (dihydropteroate synthase) protein structure (downloaded from Protein Data Bank) to establish the most preferred mode of interaction. ADMET filtration, Cytotoxicity (MTT assay) and haemolysis assay have been examined for evaluation of druglike character.

  7. Spectroscopic Characterization of Intermolecular Interaction of Amyloid β Promoted on GM1 Micelles

    Directory of Open Access Journals (Sweden)

    Maho Yagi-Utsumi

    2011-01-01

    Full Text Available Clusters of GM1 gangliosides act as platforms for conformational transition of monomeric, unstructured amyloid β (Aβ to its toxic β-structured aggregates. We have previously shown that Aβ(1–40 accommodated on the hydrophobic/hydrophilic interface of lyso-GM1 or GM1 micelles assumes α-helical structures under ganglioside-excess conditions. For better understanding of the mechanisms underlying the α-to-β conformational transition of Aβ on GM1 clusters, we performed spectroscopic characterization of Aβ(1–40 titrated with GM1. It was revealed that the thioflavin T- (ThT- reactive β-structure is more populated in Aβ(1–40 under conditions where the Aβ(1–40 density on GM1 micelles is high. Under this circumstance, the C-terminal hydrophobic anchor Val39-Val40 shows two distinct conformational states that are reactive with ThT, while such Aβ species were not generated by smaller lyso-GM1 micelles. These findings suggest that GM1 clusters promote specific Aβ-Aβ interactions through their C-termini coupled with formation of the ThT-reactive β-structure depending on sizes and curvatures of the clusters.

  8. Chemical fingerprinting of Arabidopsis using Fourier transform infrared (FT-IR) spectroscopic approaches.

    Science.gov (United States)

    Gorzsás, András; Sundberg, Björn

    2014-01-01

    Fourier transform infrared (FT-IR) spectroscopy is a fast, sensitive, inexpensive, and nondestructive technique for chemical profiling of plant materials. In this chapter we discuss the instrumental setup, the basic principles of analysis, and the possibilities for and limitations of obtaining qualitative and semiquantitative information by FT-IR spectroscopy. We provide detailed protocols for four fully customizable techniques: (1) Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS): a sensitive and high-throughput technique for powders; (2) attenuated total reflectance (ATR) spectroscopy: a technique that requires no sample preparation and can be used for solid samples as well as for cell cultures; (3) microspectroscopy using a single element (SE) detector: a technique used for analyzing sections at low spatial resolution; and (4) microspectroscopy using a focal plane array (FPA) detector: a technique for rapid chemical profiling of plant sections at cellular resolution. Sample preparation, measurement, and data analysis steps are listed for each of the techniques to help the user collect the best quality spectra and prepare them for subsequent multivariate analysis.

  9. The 2003 edition of geisa: a spectroscopic database system for the second generation vertical sounders radiance simulation

    Science.gov (United States)

    Jacquinet-Husson, N.; Lmd Team

    The GEISA (Gestion et Etude des Informations Spectroscopiques Atmosphériques: Management and Study of Atmospheric Spectroscopic Information) computer accessible database system, in its former 1997 and 2001 versions, has been updated in 2003 (GEISA-03). It is developed by the ARA (Atmospheric Radiation Analysis) group at LMD (Laboratoire de Météorologie Dynamique, France) since 1974. This early effort implemented the so-called `` line-by-line and layer-by-layer '' approach for forward radiative transfer modelling action. The GEISA 2003 system comprises three databases with their associated management softwares: a database of spectroscopic parameters required to describe adequately the individual spectral lines belonging to 42 molecules (96 isotopic species) and located in a spectral range from the microwave to the limit of the visible. The featured molecules are of interest in studies of the terrestrial as well as the other planetary atmospheres, especially those of the Giant Planets. a database of absorption cross-sections of molecules such as chlorofluorocarbons which exhibit unresolvable spectra. a database of refractive indices of basic atmospheric aerosol components. Illustrations will be given of GEISA-03, data archiving method, contents, management softwares and Web access facilities at: http://ara.lmd.polytechnique.fr The performance of instruments like AIRS (Atmospheric Infrared Sounder; http://www-airs.jpl.nasa.gov) in the USA, and IASI (Infrared Atmospheric Sounding Interferometer; http://smsc.cnes.fr/IASI/index.htm) in Europe, which have a better vertical resolution and accuracy, compared to the presently existing satellite infrared vertical sounders, is directly related to the quality of the spectroscopic parameters of the optically active gases, since these are essential input in the forward models used to simulate recorded radiance spectra. For these upcoming atmospheric sounders, the so-called GEISA/IASI sub-database system has been elaborated

  10. Synthesis and spectroscopic characterization of gold nanobipyramids prepared by a chemical reduction method

    International Nuclear Information System (INIS)

    Ngo, Vo Ke Thanh; Huynh, Trong Phat; Nguyen, Dang Giang; Nguyen, Hoang Phuong Uyen; Lam, Quang Vinh; Huynh, Thanh Dat

    2015-01-01

    Gold nanobipyramids (NBPs) have attracted much attention because they have potential for applications in smart sensing devices, such as medical diagnostic equippments. This is due to the fact that they show more advantageous plasmonic properties than other gold nanostructures. We describe a chemical reduction method for synthesizing NBPs using conventional heating with ascorbic acid reduction and cetyltrimethylamonium bromide (CTAB) + AgNO_3 as capping agents. The product was characterized by ultraviolet–visible spectroscopy (UV–vis), Fourier transmission infrared spectroscopy (FTIR), transmission electron microscopy (TEM), x-ray powder diffraction (XRD). The results showed that gold nanoparticles were formed with bipyramid shape (tip-to-tip distance of 88.4 ± 9.4 nm and base length of 29.9 ± 3.2 nm) and face-centered-cubic crystalline structure. Optimum parameters for preparation of NBPs are also found. (paper)

  11. Synthesis and spectroscopic characterization of gold nanobipyramids prepared by a chemical reduction method

    Science.gov (United States)

    Thanh Ngo, Vo Ke; Phat Huynh, Trong; Giang Nguyen, Dang; Phuong Uyen Nguyen, Hoang; Lam, Quang Vinh; Dat Huynh, Thanh

    2015-12-01

    Gold nanobipyramids (NBPs) have attracted much attention because they have potential for applications in smart sensing devices, such as medical diagnostic equippments. This is due to the fact that they show more advantageous plasmonic properties than other gold nanostructures. We describe a chemical reduction method for synthesizing NBPs using conventional heating with ascorbic acid reduction and cetyltrimethylamonium bromide (CTAB) + AgNO3 as capping agents. The product was characterized by ultraviolet-visible spectroscopy (UV-vis), Fourier transmission infrared spectroscopy (FTIR), transmission electron microscopy (TEM), x-ray powder diffraction (XRD). The results showed that gold nanoparticles were formed with bipyramid shape (tip-to-tip distance of 88.4 ± 9.4 nm and base length of 29.9 ± 3.2 nm) and face-centered-cubic crystalline structure. Optimum parameters for preparation of NBPs are also found.

  12. Moessbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    Energy Technology Data Exchange (ETDEWEB)

    Jaen, Juan A., E-mail: jjaen@ancon.up.ac.p [Universidad de Panama, Depto. de Quimica Fisica, CITEN, Lab. No. 105, Edificio de Laboratorios Cientificos-VIP (Panama); Navarro, Cesar [Universidad de Panama, Escuela de Quimica, Facultad de Ciencias Naturales, Exactas y Tecnologia (Panama)

    2009-07-15

    Fourier transform infrared spectroscopy and Moessbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Moessbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  13. Moessbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    International Nuclear Information System (INIS)

    Jaen, Juan A.; Navarro, Cesar

    2009-01-01

    Fourier transform infrared spectroscopy and Moessbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Moessbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  14. Infrared spectroscopic study of decomposition of Ti(N(CH3)2)4

    NARCIS (Netherlands)

    Driessen, J.P.A.M.; Schoonman, J.; Jensen, K.F.

    2001-01-01

    The decomposition of Ti(N(CH3)2)4 (TDMAT) has been studied in N2 and H2 environments and surface temperatures between 473 and 623 K by using Fourier transform infrared spectroscopy. The pressure in the system was 5 Torr, with a TDMAT partial pressure of 0.3 Torr. The evolution of gas-phase species

  15. Characterization of InSb layers on GaAs substrates using infrared reflectance and a modified oscillator formula

    Energy Technology Data Exchange (ETDEWEB)

    Engelbrecht, J.A.A., E-mail: Japie.Engelbrecht@nmmu.ac.z [Physics Department, Nelson Mandela Metropolitan University, Box 77000, Port Elizabeth 6031 (South Africa); Wagener, M.C. [Physics Department, Nelson Mandela Metropolitan University, Box 77000, Port Elizabeth 6031 (South Africa)

    2009-12-01

    InSb epilayers on GaAs substrates are analyzed using infrared reflectance spectroscopy, but employing a modified Drude oscillator formula. The modified formula enables the determination of 13 parameters: six dielectric parameters for both layer and substrate separately, as well as the thickness of the layer. The formula is tested against previously published data, and to characterize layers grown in this laboratory.

  16. Characterization of InSb layers on GaAs substrates using infrared reflectance and a modified oscillator formula

    International Nuclear Information System (INIS)

    Engelbrecht, J.A.A.; Wagener, M.C.

    2009-01-01

    InSb epilayers on GaAs substrates are analyzed using infrared reflectance spectroscopy, but employing a modified Drude oscillator formula. The modified formula enables the determination of 13 parameters: six dielectric parameters for both layer and substrate separately, as well as the thickness of the layer. The formula is tested against previously published data, and to characterize layers grown in this laboratory.

  17. The infrared use on boron characterization from pegmatites ores

    International Nuclear Information System (INIS)

    Rocha Oliveiros, M.V.R.P. da; Neves, C.; Marques, J.

    1987-01-01

    The study of minerals of zoned pegmatites outcroping near of Governador Valadares, Minas Gerais State, using infrared absorption spectrometry and X-ray diffraction, allowed the identification of B proxing for Si in the tetrahedral sites of some minerals, such as muscovite, biotite, feldspars, quartz and garnets. The valence balancing was achieved with one monolayer of water in the structure as revealed by infrared absorption too. Infrared absorption is a very important research tool to disclose the proxing of B for Si in geological systems where this element occurs only at traces levels as we found in samples from the Ferreirinha pegmatite quarry. Only the mineral phases collected close to the quartz core show the absorption bands linked to the stretching of the B-O bond and to the H 2 O monolayer. (author) [pt

  18. New spectroscopic techniques for wine analysis and characterization

    International Nuclear Information System (INIS)

    Edelmann, A.

    2003-01-01

    The objective of the presented thesis was the development of new, rapid tools for wine analysis based on Fourier transform infrared (FTIR) and Ultraviolet/Visible (UV/Vis) - spectroscopy. The results of this thesis are presented in the form of five publications. In publication I a sensor for assessing the main sensory property of red wine polyphenols (tannins), namely astringency, was developed on basis of the underlying chemical reaction between the tannins and the proline-rich proteins in the saliva. The interaction of polyphenols (tannins) with proline rich proteins (gelatin) has been studied using an automated flow injection system with FTIR detection. In Publication II FTIR-spectroscopy of polyphenolic wine extracts combined with multivariate data analysis was applied for the varietal discrimination of Austrian red wines. By hierarchical clustering it could be shown that the mid-infrared spectra of the dry extracts contain information on the varietal origin of wines. The classification of the wines was successfully performed by soft independent modeling of class analogies (SIMCA). Publication III describes the determination of carbohydrates, alcohols and organic acids in red wine by Ion-exchange high performance liquid chromatography hyphenated with FTIR-detection, where a diamond attenuated total reflectance (ATR)-element was employed for the design of a rugged detector. Partly or completely co-eluting peaks were chemometrically resolved by multivariate curve resolution - alternating least squares (MCR-ALS). Publication IV reports the first application of a mid-infrared quantum cascade laser (QCL) for molecular specific laser detection in liquid chromatography. Using a laser wavelength of 9.3721 μm glucose and fructose could be specifically detected and quantified in red wine in spite of the presence of organic acids. Publication V presents the development of an automated method for measuring the primary amino acid concentration in wines and musts by

  19. Isolation, characterization, spectroscopic properties and quantum chemical computations of an important phytoalexin resveratrol as antioxidant component from Vitis labrusca L. and their chemical compositions

    Science.gov (United States)

    Güder, Aytaç; Korkmaz, Halil; Gökce, Halil; Alpaslan, Yelda Bingöl; Alpaslan, Gökhan

    2014-12-01

    In this study, isolation and characterization of trans-resveratrol (RES) as an antioxidant compound were carried out from VLE, VLG and VLS. Furthermore, antioxidant activities were evaluated by using six different methods. Finally, total phenolic, flavonoid, ascorbic acid, anthocyanin, lycopene, β-carotene and vitamin E contents were carried out. In addition, the FT-IR, 13C and 1H NMR chemical shifts and UV-vis. spectra of trans-resveratrol were experimentally recorded. Quantum chemical computations such as the molecular geometry, vibrational frequencies, UV-vis. spectroscopic parameters, HOMOs-LUMOs energies, molecular electrostatic potential (MEP), natural bond orbitals (NBO) and nonlinear optics (NLO) properties of title molecule have been calculated by using DFT/B3PW91 method with 6-311++G(d,p) basis set in ground state for the first time. The obtained results show that the calculated spectroscopic data are in a good agreement with experimental data.

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  1. Application of imaging spectroscopic reflectometry for characterization of gold reduction from organometallic compound by means of plasma jet technology

    Energy Technology Data Exchange (ETDEWEB)

    Vodák, Jiří, E-mail: jiri.vodak@yahoo.com [Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno (Czech Republic); Nečas, David [RG Plasma Technologies, CEITEC Masaryk University, Kamenice 5, 625 00 Brno (Czech Republic); Pavliňák, David [Department of Physical Electronics, Masaryk University, Kotlářská 2, 611 37 Brno (Czech Republic); Macak, Jan M [Center of Materials and Nanotechnologies, Faculty of Chemical Technology, University of Pardubice, Nám. Čs. Legií 565, 530 02 Pardubice (Czech Republic); Řičica, Tomáš; Jambor, Roman [Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10 Pardubice (Czech Republic); Ohlídal, Miloslav [Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno (Czech Republic); Institute of Physics, Faculty of Mining and Geology, VŠB – Technical University of Ostrava (Czech Republic)

    2017-02-28

    Highlights: • Metallic gold is reduced from an organometallic compound layer using a plasma jet. • Imaging spectroscopic reflectometry is used to locate areas with metallic gold. • The results are completed with XPS and optical microscopy observations. - Abstract: This work presents a new application of imaging spectroscopic reflectometry to determine a distribution of metallic gold in a layer of an organogold precursor which was treated by a plasma jet. Gold layers were prepared by spin coating from a solution of the precursor containing a small amount of polyvinylpyrrolidone on a microscopy glass, then they were vacuum dried. A difference between reflectivity of metallic gold and the precursor was utilized by imaging spectroscopic reflectometry to create a map of metallic gold distribution using a newly developed model of the studied sample. The basic principle of the imaging spectroscopic reflectometry is also shown together with the data acquisition principles. XPS measurements and microscopy observations were made to complete the imaging spectroscopic reflectometry results. It is proved that the imaging spectroscopic reflectometry represents a new method for quantitative evaluation of local reduction of metallic components from metaloorganic compounds.

  2. Preparation and characterization of self-assembly hydrogels with exfoliated montmorillonite nanosheets and chitosan

    Science.gov (United States)

    Wang, Wei; Zhao, Yunliang; Yi, Hao; Chen, Tianxing; Kang, Shichang; Li, Hongqiang; Song, Shaoxian

    2018-01-01

    Novel montmorillonite-nanosheet/chitosan (MMTNS/CS) hydrogels fabricated via the self-assembly of exfoliated MMTNS and CS chains were investigated. The exfoliation of MMTNS, self-assembly mechanism and structure of MMTNS/CS hydrogels were characterized by an atomic force microscope, scanning electron microscope, transmission electron microscope, Fourier transform infrared spectroscope, energy-dispersive x-ray spectroscope and Brunauer-Emmett-Teller analyzer, respectively. The results indicated that MMT could be easily exfoliated to nanosheets with a thickness of 1 ˜ 5 nm in aqueous solution by an ultrasonic base upon interlayer hydration. The formation mechanism of the self-assembly hydrogels was due to the hydrogen bond (-OH ··· +NH3-) and electrostatic interaction between the MMTNS and CS. The MMTNSs were connected consecutively by CS in-plane to form a huge slice. The porous structure of the hydrogels was controllable by adjusting the MMTNS/CS mass ratio. The hydrogels could be used as adsorbents for sewage treatments, carriers for drugs, microorganisms and catalyzers due to their controllable porous structure and tremendous specific surface area which were derived from the completely exfoliated MMTNS.

  3. Near-infrared imaging spectroscopy for counterfeit drug detection

    Science.gov (United States)

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

    2011-06-01

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

  4. Spectroscopic Needs for Imaging Dark Energy Experiments

    International Nuclear Information System (INIS)

    Newman, Jeffrey A.; Abate, Alexandra; Abdalla, Filipe B.; Allam, Sahar; Allen, Steven W.; Ansari, Reza; Bailey, Stephen; Barkhouse, Wayne A.; Beers, Timothy C.; Blanton, Michael R.; Brodwin, Mark; Brownstein, Joel R.; Brunner, Robert J.; Carrasco-Kind, Matias; Cervantes-Cota, Jorge; Chisari, Nora Elisa; Colless, Matthew; Coupon, Jean; Cunha, Carlos E.; Frye, Brenda L.; Gawiser, Eric J.; Gehrels, Neil; Grady, Kevin; Hagen, Alex; Hall, Patrick B.; Hearin, Andrew P.; Hildebrandt, Hendrik; Hirata, Christopher M.; Ho, Shirley; Huterer, Dragan; Ivezic, Zeljko; Kneib, Jean-Paul; Kruk, Jeffrey W.; Lahav, Ofer; Mandelbaum, Rachel; Matthews, Daniel J.; Miquel, Ramon; Moniez, Marc; Moos, H. W.; Moustakas, John; Papovich, Casey; Peacock, John A.; Rhodes, Jason; Ricol, Jean-Stepane; Sadeh, Iftach; Schmidt, Samuel J.; Stern, Daniel K.; Tyson, J. Anthony; Von der Linden, Anja; Wechsler, Risa H.; Wood-Vasey, W. M.; Zentner, A.

    2015-01-01

    -z algorithms and reduce scatter further, enhancing the science return from planned experiments greatly (increasing the Dark Energy Task Force figure of merit by up to ∼50%); Options: This spectroscopy will most efficiently be done by covering as much of the optical and near-infrared spectrum as possible at modestly high spectral resolution (λ/Δλ > ∼3000), while maximizing the telescope collecting area, field of view on the sky, and multiplexing of simultaneous spectra. The most efficient instrument for this would likely be either the proposed GMACS/MANIFEST spectrograph for the Giant Magellan Telescope or the OPTIMOS spectrograph for the European Extremely Large Telescope, depending on actual properties when built. The PFS spectrograph at Subaru would be next best and available considerably earlier, c. 2018; the proposed ngCFHT and SSST telescopes would have similar capabilities but start later. Other key options, in order of increasing total time required, are the WFOS spectrograph at TMT, MOONS at the VLT, and DESI at the Mayall 4 m telescope (or the similar 4MOST and WEAVE projects); of these, only DESI, MOONS, and PFS are expected to be available before 2020. Table 2-3 of this white paper summarizes the observation time required at each facility for strawman training samples. To attain secure redshift measurements for a high fraction of targeted objects and cover the full redshift span of future experiments, additional near-infrared spectroscopy will also be required; this is best done from space, particularly with WFIRST-2.4 and JWST; Calibration: The first several moments of redshift distributions (the mean, RMS redshift dispersion, etc.), must be known to high accuracy for cosmological constraints not to be systematics-dominated (equivalently, the moments of the distribution of differences between photometric and true redshifts could be determined instead). The ultimate goal of calibration is to characterize these moments for every subsample used in analyses - i

  5. Evaluation of multivariate calibration models transferred between spectroscopic instruments

    DEFF Research Database (Denmark)

    Eskildsen, Carl Emil Aae; Hansen, Per W.; Skov, Thomas

    2016-01-01

    In a setting where multiple spectroscopic instruments are used for the same measurements it may be convenient to develop the calibration model on a single instrument and then transfer this model to the other instruments. In the ideal scenario, all instruments provide the same predictions for the ......In a setting where multiple spectroscopic instruments are used for the same measurements it may be convenient to develop the calibration model on a single instrument and then transfer this model to the other instruments. In the ideal scenario, all instruments provide the same predictions...... for the same samples using the transferred model. However, sometimes the success of a model transfer is evaluated by comparing the transferred model predictions with the reference values. This is not optimal, as uncertainties in the reference method will impact the evaluation. This paper proposes a new method...... for calibration model transfer evaluation. The new method is based on comparing predictions from different instruments, rather than comparing predictions and reference values. A total of 75 flour samples were available for the study. All samples were measured on ten near infrared (NIR) instruments from two...

  6. Spectral characterization of surface emissivities in the thermal infrared

    Science.gov (United States)

    Niclòs, Raquel; Mira, Maria; Valor, Enric; Caselles, Diego; García-Santos, Vicente; Caselles, Vicente; Sánchez, Juan M.

    2015-04-01

    Thermal infrared (TIR) remote sensing trends to hyperspectral sensors on board satellites in the last decades, e.g., the current EOS-MODIS and EOS-ASTER and future missions like HyspIRI, ECOSTRESS, THIRSTY and MISTIGRI. This study aims to characterize spectrally the emissive properties of several surfaces, mostly soils. A spectrometer ranging from 2 to 16 μm, D&P Model 102, has been used to measure samples with singular spectral features, e.g. a sandy soil rich in gypsum sampled in White Sands (New Mexico, USA), salt samples, powdered quartz, and powdered calcite. These samples were chosen for their role in the assessment of thermal emissivity of soils, e.g., the calcite and quartz contents are key variables for modeling TIR emissivities of bare soils, along with soil moisture and organic matter. Additionally, the existence of large areas in the world with abundance of these materials, some of them used for calibration/validation activities of satellite sensors and products, makes the chosen samples interesting. White Sands is the world's largest gypsum dune field encompassing 400 km^2; the salt samples characterize the Salar of Uyuni (Bolivia), the largest salt flat in the world (up to 10,000 km^2), as well as the Jordanian and Israeli salt evaporation ponds at the south end of the Dead Sea, or the evaporation lagoons in Aigües-Mortes (France); and quartz is omnipresent in most of the arid regions of the world such as the Algodones Dunes or Kelso Dunes (California, USA), with areas around 700 km2 and 120 km^2, respectively. Measurements of target leaving radiance, hemispherical radiance reflected by a diffuse reflectance panel, and the radiance from a black body at different temperatures were taken to obtain thermal spectra with the D&P spectrometer. The good consistency observed between our measurements and laboratory spectra of similar samples (ASTER and MODIS spectral libraries) indicated the validity of the measurement protocol. Further, our study showed the

  7. Synthesis, spectroscopic, structural and thermal characterizations of vanadyl(IV) adenine complex prospective as antidiabetic drug agent

    Science.gov (United States)

    El-Megharbel, Samy M.; Hamza, Reham Z.; Refat, Moamen S.

    2015-01-01

    The vanadyl(IV) adenine complex; [VO(Adn)2]ṡSO4; was synthesized and characterized. The molar conductivity of this complex was measured in DMSO solution that showed an electrolyte nature. Spectroscopic investigation of the green solid complex studied here indicate that the adenine acts as a bidentate ligand, coordinated to vanadyl(IV) ions through the nitrogen atoms N7 and nitrogen atom of amino group. Thus, from the results presented the vanadyl(IV) complex has square pyramid geometry. Further characterizations using thermal analyses and scanning electron techniques was useful. The aim of this paper was to introduce a new drug model for the diabetic complications by synthesized a novel mononuclear vanadyl(IV) adenine complex to mimic insulin action and reducing blood sugar level. The antidiabetic ability of this complex was investigated in STZ-induced diabetic mice. The results suggested that VO(IV)/adenine complex has antidiabetic activity, it improved the lipid profile, it improved liver and kidney functions, also it ameliorated insulin hormone and blood glucose levels. The vanadyl(IV) complex possesses an antioxidant activity and this was clear through studying SOD, CAT, MDA, GSH and methionine synthase. The current results support the therapeutic potentiality of vanadyl(IV)/adenine complex for the management and treatment of diabetes.

  8. The frequency of cartilage lesions in non-injured knees with symptomatic meniscus tears: results from an arthroscopic and NIR- (near-infrared) spectroscopic investigation.

    Science.gov (United States)

    Spahn, Gunter; Plettenberg, Holger; Hoffmann, Martin; Klemm, Holm-Torsten; Brochhausen-Delius, Christoph; Hofmann, Gunther O

    2017-06-01

    Are symptomatic tear injuries to the menisci of the knee frequently or always associated with cartilage damage to the corresponding articular surfaces and other joint surfaces, respectively? A total of 137 patients (medial n = 127; lateral n = 10) underwent a meniscus resection. These patients showed no signs of a clear radiographic arthrosis and no MRI-detectable cartilage lesions > grade II. Traumatic injury was ruled out with a thorough medical history. The indication for operation was made exclusively on the basis of distinct, clinically apparent meniscus signs. In addition to the ICRS classification, all articular surfaces were examined spectroscopically (NIRS, near-infrared spectroscopy). In 76.6% (n = 105) of all knees examined, clear cartilage damage (ICRS-grade III/IV) was found. For 43.8%, these were in the area of the patella, while for 34.3% they were in the area of the medial femur, and for 17.5%, in the area of the medial tibial plateau. More rarely, this damage was localized to the area of the trochlea (8.8%) or the lateral joint compartment (femoral 2.2%, tibial 15.3%). There were no significant differences between patients with medial or lateral meniscus lesions with respect to the distribution pattern of the joint injuries. During spectroscopic examination, pathological values were demonstrated (objective evidence of cartilage degeneration) in at least one of the examined articular surfaces (media n = 6, range 1-6). Through our investigations, a high, if not complete, concomitance of degenerative cartilage lesions and degenerative meniscus damage was demonstrated. From this it can be concluded that the entity of "isolated degenerative meniscus damage" clearly does not exist in practice. It is therefore highly probable that degenerative meniscus lesions, as a part of general joint degeneration, are to be interpreted in the context of the development of arthrosis. The practical consequences still are unclear. Patients after partial

  9. Thermal, structural and spectroscopic properties of Pr3+-doped lead zinc borate glasses modified by alkali metal ions

    Directory of Open Access Journals (Sweden)

    M.V. Sasi kumar

    2017-07-01

    Full Text Available This paper offers a study on Pr3+-doped alkali and mixed-alkali borate glasses prepared by the melt quenching technique and characterized by thermal, structural and spectroscopic studies. The amorphous nature of the glassy systems was identified based on X-ray diffraction. The thermal behaviour of glasses was studied using differential thermal analysis (DTA. The functional groups contained in the glasses were identified by Fourier transform infrared spectroscopy (FTIR. Spectral intensities were evaluated from the absorption spectra and used for calculating J–O intensity parameters, Ωλ (λ = 2, 4 and 6. Further, these parameters were used for calculating different radiative properties. The best radiative state was identified as the laser transition state among the various states. Emission analysis was performed for this state by calculating the branching ratios and stimulated emission cross sections (σp for all the prepared glasses. These studies suggest that borate glasses are useful for visible fluorescence.

  10. The joined use of n.i. spectroscopic analyses - FTIR, Raman, visible reflectance spectrometry and EDXRF - to study drawings and illuminated manuscripts

    International Nuclear Information System (INIS)

    Bruni, S.; Guglielmi, V.; Caglio, S.; Poldi, G.

    2008-01-01

    Some art objects being small and very precious prevents conservators and conservation scientists from whatever kind of sampling, so that only completely non-invasive (n.i.) studies are permitted. Besides, also moving the object is sometimes forbidden: this happens for jewels as well as for manuscripts, illuminated codices, drawings and paintings. Some important physical n.i. analyses, such as PIXE and PIGE, therefore cannot be used in many cases. With these limitations, only imaging techniques in X, UV, Visible and IR bands, and a few spectroscopic methods that can be carried out with portable instruments can be applied, i.e. molecular spectroscopies like Fourier transform infrared (FTIR), Raman, UV visible and near IR reflectance spectrometry (UV-Vis-NIR RS) and atomic spectroscopy like energy dispersive X-ray fluorescence (EDXRF). The use of only one or two of these techniques is usually far from giving all the information required to achieve a full characterization of materials used by the artist or during restorations, and to understand some conservative problems of the object. On the contrary, a joined use of n.i. analyses can supply a larger set of data, allowing for cross checks. With this aim we show a fully integrated spectroscopic approach to polychrome objects, and, in particular, to drawings and illuminated manuscripts, using portable instruments, specifically μ-FTIR, μ-Raman, Vis-RS and EDXRF, where also the Raman signal does not suffer fluorescence caused by varnish coating and from binder. We propose the joined use of all these four physical analyses to characterize materials - support, pigments, dyes, binders, etc. - on a complex case: a painted and drawn parchment of the late 15th century, or the beginning of the 16th, partly attributed to Andrea Mantegna. The collected spectroscopic data have been compared to proper spectral databases, some of which specifically realized in our laboratories. Also, mixtures of pigments and their stratigraphical

  11. The Fourier-Kelvin Stellar Interferometer (FKSI): Infrared Detection and Characterization of Exozodiacal Dust to Super-Earths, A Progress Report

    Science.gov (United States)

    Danchi, W.

    2010-01-01

    The Fourier-Kelvin Stellar Interferometer (FKSI) is a structurally connected infrared space interferometer with 0.5 m diameter telescopes on a 12.5 m baseline, and is passively cooled to approx.60K. The FKSI operates in the thermal infrared from 3-8 microns in a nulling (or starlight suppressing) mode for the detection and characterization of exoplanets, debris disks, extrasolar zodiacal dust levels. The FKSI will have the highest angular resolution of any infrared space instrument ever made with its nominal resolution of 40 mas at a 5 micron center wavelength. This resolution exceeds that of Spitzer by a factor of 38 and JWST by a factor of 5. The FKSI mission is conceived as a "probe class" or "mid-sized" strategic mission that utilizes technology advances from flagship projects like JWST, SIM, Spitzer, and the technology programs of TPF-I/Darwin. During the past year we began investigating an enhanced version of FKSI with 1-2 m diameter telescopes, passively cooled to 40K, on a 20-m baseline, with a sunshade giving a +/- 45 degree Field-of-Regard. This enhanced design is capable of detecting and characterizing the atmospheres of many 2 Earth-radius super-Earths and a few Earth-twins. We will report progress on the design of the enhanced mission concept and current status of the technologies needed for this mission.

  12. Organic Alternatives to Quantum Dots for Intraoperative Near-Infrared Fluorescent Sentinel Lymph Node Mapping

    Directory of Open Access Journals (Sweden)

    Shunsuke Ohnishi

    2005-07-01

    Full Text Available Intraoperative near-infrared (NIR fluorescence imaging provides the surgeon with real-time image guidance during cancer and other surgeries. We have previously reported the use of NIR fluorescent quantum dots (QDs for sentinel lymph node (SLN mapping. However, because of concerns over potential toxicity, organic alternatives to QDs will be required for initial clinical studies. We describe a family of 800 nm organic heptamethine indocyanine-based contrast agents for SLN mapping spanning a spectrum from 775 Da small molecules to 7 MDa nanocolloids. We provide a detailed characterization of the optical and physical properties of these contrast agents and discuss the advantages and disadvantages of each. We present robust methods for the covalent conjugation, purification, and characterization of proteins with tetra-sulfonated heptamethine indocyanines, including mass spectroscopic site mapping of highly substituted molecules. One contrast agent, NIR fluorescent human serum albumin (HSA800, emerged as the molecule with the best overall performance with respect to entry to lymphatics, flow to the SLN, retention in the SLN, fluorescence yield and reproducibility. This preclinical study, performed on large animals approaching the size of humans, should serve as a foundation for future clinical studies.

  13. Spectroscopic Identification of the Carbyne Hydride Structure of the Dehydrogenation Product of Methane Activation by Osmium Cations.

    Science.gov (United States)

    Armentrout, P B; Kuijpers, Stach E J; Lushchikova, Olga V; Hightower, Randy L; Boles, Georgia C; Bakker, Joost M

    2018-04-09

    The present work explores the structures of species formed by dehydrogenation of methane (CH 4 ) and perdeuterated methane (CD 4 ) by the 5d transition metal cation osmium (Os + ). Using infrared multiple photon dissociation (IRMPD) action spectroscopy and density functional theory (DFT), the structures of the [Os,C,2H] + and [Os,C,2D] + products are explored. This study complements previous work on the related species formed by dehydrogenation of methane by four other 5d transition metal cations (M + = Ta + , W + , Ir + , and Pt + ). Osmium cations are formed in a laser ablation source, react with methane pulsed into a reaction channel downstream, and the resulting products spectroscopically characterized through photofragmentation using the Free-Electron Laser for IntraCavity Experiments (FELICE) in the 300-1800 cm -1 range. Photofragmentation was monitored by the loss of H 2 /D 2 . Comparison of the experimental spectra and DFT calculated spectra leads to identification of the ground state carbyne hydride, HOsCH + ( 2 A') as the species formed, as previously postulated theoretically. Further, a full description of the systematic spectroscopic shifts observed for deuterium labeling of these complexes, some of the smallest systems to be studied using IRMPD action spectroscopy, is achieved. A full rotational contour analysis explains the observed linewidths as well as the observation of doublet structures in several bands, consistent with previous observations for HIrCH + ( 2 A'). Graphical Abstract ᅟ.

  14. Growth and characterization of materials for infrared detectors and nonlinear optical switches; Proceedings of the Meeting, Orlando, FL, Apr. 2, 3, 1991

    Science.gov (United States)

    Longshore, Randolph E.; Baars, Jan W.

    Papers included in these proceedings are grouped under the topics of infrared material growth and characterization, infrared detector physics, and nonlinear optics. Attention is given to interface demarcation in Bridgman-Stockbarger crystal growth of II-VI compounds, growth of CdTe-CdMnTe heterostructures by molecular beam epitaxy, and a photoconductivity decay method for determining the minority carrier lifetime of p-type HgCdTe. Consideration is also given to anodic oxides on HgZnTe, the characterization of anodic fluoride films on Hg(1-x)Cd(x)Te, optical response in high-temperature superconducting thin films, and pyroelectric linear array IR detectors with CCD multiplexer. Other papers are on structural and optical properties of melt-processed calcium aluminate fibers, the preparation and characterization of a new thermistor material for thermistor bolometer, and photoemission from quantum-confined structure of nonlinear optical materials. (For individual items see A93-26893 to A93-26895)

  15. Catalyst Architecture for Stable Single Atom Dispersion Enables Site-Specific Spectroscopic and Reactivity Measurements of CO Adsorbed to Pt Atoms, Oxidized Pt Clusters, and Metallic Pt Clusters on TiO2.

    Science.gov (United States)

    DeRita, Leo; Dai, Sheng; Lopez-Zepeda, Kimberly; Pham, Nicholas; Graham, George W; Pan, Xiaoqing; Christopher, Phillip

    2017-10-11

    Oxide-supported precious metal nanoparticles are widely used industrial catalysts. Due to expense and rarity, developing synthetic protocols that reduce precious metal nanoparticle size and stabilize dispersed species is essential. Supported atomically dispersed, single precious metal atoms represent the most efficient metal utilization geometry, although debate regarding the catalytic activity of supported single precious atom species has arisen from difficulty in synthesizing homogeneous and stable single atom dispersions, and a lack of site-specific characterization approaches. We propose a catalyst architecture and characterization approach to overcome these limitations, by depositing ∼1 precious metal atom per support particle and characterizing structures by correlating scanning transmission electron microscopy imaging and CO probe molecule infrared spectroscopy. This is demonstrated for Pt supported on anatase TiO 2 . In these structures, isolated Pt atoms, Pt iso , remain stable through various conditions, and spectroscopic evidence suggests Pt iso species exist in homogeneous local environments. Comparing Pt iso to ∼1 nm preoxidized (Pt ox ) and prereduced (Pt metal ) Pt clusters on TiO 2 , we identify unique spectroscopic signatures of CO bound to each site and find CO adsorption energy is ordered: Pt iso ≪ Pt metal atoms bonded to TiO 2 and that Pt iso exhibits optimal reactivity because every atom is exposed for catalysis and forms an interfacial site with TiO 2 . This approach should be generally useful for studying the behavior of supported precious metal atoms.

  16. Characterization of Grewia Gum, a Potential Pharmaceutical Excipient

    Directory of Open Access Journals (Sweden)

    Elijah.I.Nep

    2010-03-01

    Full Text Available Grewia gum was extracted from the inner stem bark of Grewia mollis and characterized by several techniques such as gas chromatography (GC, gel permeation chromatography (GPC, scanning electron microscopy (SEM, differential scanning calorimetry (DSC and thermogravimetric analysis of the extracted sample. Spectroscopic techniques such as x-ray photoelectron spectroscopy (XPS, fourier-transformed infrared (FT-IR, solid-state nuclear magnetic resonance (NMR, and 1H and 13C NMR techniques were also used to characterize the gum. The results showed that grewia gum is a typically amorphous polysaccharide gum containing glucose, rhamnose, galactose, arabinose and xylose as neutral sugars. It has an average molecular weight of 5925 kDa expressed as the pullulan equivalent. The gum slowly hydrated in water, dispersing and swelling to form a highly viscous dispersion exhibiting pseudoplastic flow behaviour. The polysaccharide gum is thermally stable and may have application as stabilizer or suspending agent in foods, cosmetics and in pharmaceuticals. It may have application as a binder or sustained-release polymer matrix in tablets or granulations.

  17. Far-infrared properties of optically selected quasars

    International Nuclear Information System (INIS)

    Edelson, R.A.

    1986-01-01

    The far-infrared properties of 10, optically selected quasars were studied on the basis of pointed IRAS observations and ground-based near-infrared and radio measurements. Nine of these quasars were detected in at least three IRAS bands. The flat spectral energy distributions characterizing these optically selected quasars together with large 60-100-micron luminosities suggest that the infrared emission is dominated by nonthermal radiation. Seven of the nine quasars with far-infrared detections were found to have low-frequency turnovers. 12 references

  18. X-ray micro-beam characterization of a small pixel spectroscopic CdTe detector

    Science.gov (United States)

    Veale, M. C.; Bell, S. J.; Seller, P.; Wilson, M. D.; Kachkanov, V.

    2012-07-01

    A small pixel, spectroscopic, CdTe detector has been developed at the Rutherford Appleton Laboratory (RAL) for X-ray imaging applications. The detector consists of 80 × 80 pixels on a 250 μm pitch with 50 μm inter-pixel spacing. Measurements with an 241Am γ-source demonstrated that 96% of all pixels have a FWHM of better than 1 keV while the majority of the remaining pixels have FWHM of less than 4 keV. Using the Diamond Light Source synchrotron, a 10 μm collimated beam of monochromatic 20 keV X-rays has been used to map the spatial variation in the detector response and the effects of charge sharing corrections on detector efficiency and resolution. The mapping measurements revealed the presence of inclusions in the detector and quantified their effect on the spectroscopic resolution of pixels.

  19. Infrared spectroscopy of pollen identifies plant species and genus as well as environmental conditions.

    Directory of Open Access Journals (Sweden)

    Boris Zimmermann

    Full Text Available BACKGROUND: It is imperative to have reliable and timely methodologies for analysis and monitoring of seed plants in order to determine climate-related plant processes. Moreover, impact of environment on plant fitness is predominantly based on studies of female functions, while the contribution of male gametophytes is mostly ignored due to missing data on pollen quality. We explored the use of infrared spectroscopy of pollen for an inexpensive and rapid characterization of plants. METHODOLOGY: The study was based on measurement of pollen samples by two Fourier transform infrared techniques: single reflectance attenuated total reflectance and transmission measurement of sample pellets. The experimental set, with a total of 813 samples, included five pollination seasons and 300 different plant species belonging to all principal spermatophyte clades (conifers, monocotyledons, eudicots, and magnoliids. RESULTS: The spectroscopic-based methodology enables detection of phylogenetic variations, including the separation of confamiliar and congeneric species. Furthermore, the methodology enables measurement of phenotypic plasticity by the detection of inter-annual variations within the populations. The spectral differences related to environment and taxonomy are interpreted biochemically, specifically variations of pollen lipids, proteins, carbohydrates, and sporopollenins. The study shows large variations of absolute content of nutrients for congenital species pollinating in the same environmental conditions. Moreover, clear correlation between carbohydrate-to-protein ratio and pollination strategy has been detected. Infrared spectral database with respect to biochemical variation among the range of species, climate and biogeography will significantly improve comprehension of plant-environment interactions, including impact of global climate change on plant communities.

  20. Spectroscopic characterization of Venus at the single molecule level.

    Science.gov (United States)

    David, Charlotte C; Dedecker, Peter; De Cremer, Gert; Verstraeten, Natalie; Kint, Cyrielle; Michiels, Jan; Hofkens, Johan

    2012-02-01

    Venus is a recently developed, fast maturating, yellow fluorescent protein that has been used as a probe for in vivo applications. In the present work the photophysical characteristics of Venus were analyzed spectroscopically at the bulk and single molecule level. Through time-resolved single molecule measurements we found that single molecules of Venus display pronounced fluctuations in fluorescence emission, with clear fluorescence on- and off-times. These fluorescence intermittencies were found to occupy a broad range of time scales, ranging from milliseconds to several seconds. Such long off-times can complicate the analysis of single molecule counting experiments or single-molecule FRET experiments. This journal is © The Royal Society of Chemistry and Owner Societies 2012

  1. SPECTROSCOPIC CHARACTERIZATION AND DETECTION OF ETHYL MERCAPTAN IN ORION

    International Nuclear Information System (INIS)

    Kolesniková, L.; Alonso, J. L.; Daly, A. M.; Tercero, B.; Cernicharo, J.; Gordon, B. P.; Shipman, S. T.

    2014-01-01

    New laboratory data of ethyl mercaptan, CH 3 CH 2 SH, in the millimeter- and submillimeter-wave domains (up to 880 GHz) provided very precise values of the spectroscopic constants that allowed the detection of gauche-CH 3 CH 2 SH toward Orion KL. This identification is supported by 77 unblended or slightly blended lines plus no missing transitions in the range 80-280 GHz. A detection of methyl mercaptan, CH 3 SH, in the spectral survey of Orion KL is reported as well. Our column density results indicate that methyl mercaptan is ≅ 5 times more abundant than ethyl mercaptan in the hot core of Orion KL

  2. SPECTROSCOPIC CHARACTERIZATION AND DETECTION OF ETHYL MERCAPTAN IN ORION

    Energy Technology Data Exchange (ETDEWEB)

    Kolesniková, L.; Alonso, J. L.; Daly, A. M. [Grupo de Espectroscopía Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopía y Bioespectroscopía, Parque Científico UVa, Unidad Asociada CSIC, Universidad de Valladolid, E-47011 Valladolid (Spain); Tercero, B.; Cernicharo, J. [Departamento de Astrofísica, Centro de Astrobiología CAB, CSIC-INTA, Ctra. de Torrejón a Ajalvir km 4, E-28850 Madrid (Spain); Gordon, B. P.; Shipman, S. T., E-mail: lucie.kolesnikova@uva.es, E-mail: jlalonso@qf.uva.es, E-mail: adammichael.daly@uva.es, E-mail: terceromb@cab.inta-csic.es, E-mail: jcernicharo@cab.inta-csic.es, E-mail: brittany.gordon@ncf.edu, E-mail: shipman@ncf.edu [Division of Natural Sciences, New College of Florida, Sarasota, FL 34243 (United States)

    2014-03-20

    New laboratory data of ethyl mercaptan, CH{sub 3}CH{sub 2}SH, in the millimeter- and submillimeter-wave domains (up to 880 GHz) provided very precise values of the spectroscopic constants that allowed the detection of gauche-CH{sub 3}CH{sub 2}SH toward Orion KL. This identification is supported by 77 unblended or slightly blended lines plus no missing transitions in the range 80-280 GHz. A detection of methyl mercaptan, CH{sub 3}SH, in the spectral survey of Orion KL is reported as well. Our column density results indicate that methyl mercaptan is ≅ 5 times more abundant than ethyl mercaptan in the hot core of Orion KL.

  3. Mid-infrared integrated photonics on silicon: a perspective

    Directory of Open Access Journals (Sweden)

    Lin Hongtao

    2017-12-01

    Full Text Available The emergence of silicon photonics over the past two decades has established silicon as a preferred substrate platform for photonic integration. While most silicon-based photonic components have so far been realized in the near-infrared (near-IR telecommunication bands, the mid-infrared (mid-IR, 2–20-μm wavelength band presents a significant growth opportunity for integrated photonics. In this review, we offer our perspective on the burgeoning field of mid-IR integrated photonics on silicon. A comprehensive survey on the state-of-the-art of key photonic devices such as waveguides, light sources, modulators, and detectors is presented. Furthermore, on-chip spectroscopic chemical sensing is quantitatively analyzed as an example of mid-IR photonic system integration based on these basic building blocks, and the constituent component choices are discussed and contrasted in the context of system performance and integration technologies.

  4. Germanium blocked impurity band far infrared detectors

    International Nuclear Information System (INIS)

    Rossington, C.S.

    1988-04-01

    The infrared portion of the electromagnetic spectrum has been of interest to scientist since the eighteenth century when Sir William Herschel discovered the infrared as he measured temperatures in the sun's spectrum and found that there was energy beyond the red. In the late nineteenth century, Thomas Edison established himself as the first infrared astronomer to look beyond the solar system when he observed the star Arcturus in the infrared. Significant advances in infrared technology and physics, long since Edison's time, have resulted in many scientific developments, such as the Infrared Astronomy Satellite (IRAS) which was launched in 1983, semiconductor infrared detectors for materials characterization, military equipment such as night-vision goggles and infrared surveillance equipment. It is now planned that cooled semiconductor infrared detectors will play a major role in the ''Star Wars'' nuclear defense scheme proposed by the Reagan administration

  5. Fluorescence lifetime imaging microscopy using near-infrared contrast agents.

    Science.gov (United States)

    Nothdurft, R; Sarder, P; Bloch, S; Culver, J; Achilefu, S

    2012-08-01

    Although single-photon fluorescence lifetime imaging microscopy (FLIM) is widely used to image molecular processes using a wide range of excitation wavelengths, the captured emission of this technique is confined to the visible spectrum. Here, we explore the feasibility of utilizing near-infrared (NIR) fluorescent molecular probes with emission >700 nm for FLIM of live cells. The confocal microscope is equipped with a 785 nm laser diode, a red-enhanced photomultiplier tube, and a time-correlated single photon counting card. We demonstrate that our system reports the lifetime distributions of NIR fluorescent dyes, cypate and DTTCI, in cells. In cells labelled separately or jointly with these dyes, NIR FLIM successfully distinguishes their lifetimes, providing a method to sort different cell populations. In addition, lifetime distributions of cells co-incubated with these dyes allow estimate of the dyes' relative concentrations in complex cellular microenvironments. With the heightened interest in fluorescence lifetime-based small animal imaging using NIR fluorophores, this technique further serves as a bridge between in vitro spectroscopic characterization of new fluorophore lifetimes and in vivo tissue imaging. © 2012 The Author Journal of Microscopy © 2012 Royal Microscopical Society.

  6. Infrared Spectra and Optical Constants of Astronomical Ices: II. Ethane and Ethylene

    Science.gov (United States)

    Hudson, Reggie L.; Gerakines, Perry A.; Moore, M. H.

    2014-01-01

    Infrared spectroscopic observations have established the presence of hydrocarbon ices on Pluto and other TNOs, but the abundances of such molecules cannot be deduced without accurate optical constants (n, k) and reference spectra. In this paper we present our recent measurements of near- and mid-infrared optical constants for ethane (C2H6) and ethylene (C2H4) in multiple ice phases and at multiple temperatures. As in our recent work on acetylene (C2H2), we also report new measurements of the index of refraction of each ice at 670 nm. Comparisons are made to earlier work where possible, and electronic versions of our new results are made available.

  7. Determination of phenacetin and salophen analgetics in solid binary mixtures with caffeine by infrared linear dichroic and Raman spectroscopy.

    Science.gov (United States)

    Koleva, Bojidarka B; Kolev, Tsonko M; Tsalev, Dimiter L; Spiteller, Michael

    2008-01-22

    Quantitative infrared (IR) and Raman spectroscopic approach for determination of phenacetin (Phen) and salophen (Salo) in binary solid mixtures with caffeine: phenacetin/caffeine (System 1) and salophen/caffeine (System 2) is presented. Absorbance ratios of 746 cm(-1) or 721 cm(-1) peaks (characteristic for each of determined compounds in the Systems 1 and 2) to 1509 cm(-1) and 1616 cm(-1) (attributed to Phen and Salo, respectively) were used. The IR spectroscopy gives confidence of 98.9% (System 1) and 98.3% (System 2), while the Raman spectroscopic data are with slightly higher confidence of 99.1% for both systems. The limits of detection for the compounds studied were 0.013 and 0.012 mole fraction for IR and Raman methods, respectively. Solid-state linear dichroic infrared (IR-LD) spectral analysis of solid mixtures was carried out with a view to obtaining experimental IR spectroscopic assignment of the characteristic IR bands of both determined compounds. The orientation technique as a nematic liquid crystal suspension was used, combined with the so-called reducing-difference procedure for polarized spectra interpretation. The possibility for obtaining supramolecular stereo structural information for Phen and Salo by comparing spectroscopic and crystallographic data has also been shown. An independent high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) analysis was performed for comparison and validation of vibrational spectroscopy data. Applications to 10 tablets of commercial products APC and Sedalgin are given.

  8. Cryogenic optical systems for the rapid infrared imager/spectrometer (RIMAS)

    Science.gov (United States)

    Capone, John I.; Content, David A.; Kutyrev, Alexander S.; Robinson, Frederick D.; Lotkin, Gennadiy N.; Toy, Vicki L.; Veilleux, Sylvain; Moseley, Samuel H.; Gehrels, Neil A.; Vogel, Stuart N.

    2014-07-01

    The Rapid Infrared Imager/Spectrometer (RIMAS) is designed to perform follow-up observations of transient astronomical sources at near infrared (NIR) wavelengths (0.9 - 2.4 microns). In particular, RIMAS will be used to perform photometric and spectroscopic observations of gamma-ray burst (GRB) afterglows to compliment the Swift satellite's science goals. Upon completion, RIMAS will be installed on Lowell Observatory's 4.3 meter Discovery Channel Telescope (DCT) located in Happy Jack, Arizona. The instrument's optical design includes a collimator lens assembly, a dichroic to divide the wavelength coverage into two optical arms (0.9 - 1.4 microns and 1.4 - 2.4 microns respectively), and a camera lens assembly for each optical arm. Because the wavelength coverage extends out to 2.4 microns, all optical elements are cooled to ~70 K. Filters and transmission gratings are located on wheels prior to each camera allowing the instrument to be quickly configured for photometry or spectroscopy. An athermal optomechanical design is being implemented to prevent lenses from loosing their room temperature alignment as the system is cooled. The thermal expansion of materials used in this design have been measured in the lab. Additionally, RIMAS has a guide camera consisting of four lenses to aid observers in passing light from target sources through spectroscopic slits. Efforts to align these optics are ongoing.

  9. CHARACTERIZING THE MID-INFRARED EXTRAGALACTIC SKY WITH WISE AND SDSS

    International Nuclear Information System (INIS)

    Yan Lin; Donoso, E.; Tsai, Chao-Wei; Cutri, R.; Jarrett, T.; Stern, D.; Assef, R. J.; Eisenhardt, P.; Blain, A. W.; Stanford, S. A.; Wright, E.; Bridge, C.; Riechers, D. A.

    2013-01-01

    The Wide-field Infrared Survey Explorer (WISE) has completed its all-sky survey in four channels at 3.4-22 μm, detecting hundreds of millions of objects. We merge the WISE mid-infrared data with optical data from the Sloan Digital Sky Survey (SDSS) and provide a phenomenological characterization of WISE extragalactic sources. WISE is most sensitive at 3.4 μm (W1) and least sensitive at 22 μm (W4). The W1 band probes massive early-type galaxies out to z ∼> 1. This is more distant than SDSS identified early-type galaxies, consistent with the fact that 28% of 3.4 μm sources have faint or no r-band counterparts (r > 22.2). In contrast, 92%-95% of 12 μm and 22 μm sources have SDSS optical counterparts with r ≤ 22.2. WISE 3.4 μm detects 89.8% of the entire SDSS QSO catalog at S/N W1 >7σ, but only 18.9% at 22 μm with S/N W4 > 5σ. We show that WISE colors alone are effective in isolating stars (or local early-type galaxies), star-forming galaxies, and strong active galactic nuclei (AGNs)/QSOs at z ∼ 0.8 and W2 –2 . (2) Selection of dust-obscured, type-2 AGN/QSO candidates. We show that WISE W1 – W2 > 0.8, W2 6 (Vega) colors can be used to identify type-2 AGN candidates. The fraction of these type-2 AGN candidates is one-third of all WISE color-selected AGNs. (3) Selection of ultraluminous infrared galaxies (ULIRGs) at z ∼ 2 with extremely red colors, r – W4 > 14 or well-detected 22 μm sources lacking detections in the 3.4 and 4.6 μm bands. The surface density of z ∼ 2 ULIRG candidates selected with r – W4 > 14 is 0.9 ± 0.07 deg –2 at S/N W4 ≥ 5 (the corresponding, lowest flux density of 2.5 mJy), which is consistent with that inferred from smaller area Spitzer surveys. Optical spectroscopy of a small number of these high-redshift ULIRG candidates confirms our selection, and reveals a possible trend that optically fainter or r – W4 redder candidates are at higher redshifts.

  10. Renal geology (quantitative renal stone analysis) by 'Fourier transform infrared spectroscopy'.

    Science.gov (United States)

    Singh, Iqbal

    2008-01-01

    To prospectively determine the precise stone composition (quantitative analysis) by using infrared spectroscopy in patients with urinary stone disease presenting to our clinic. To determine an ideal method for stone analysis suitable for use in a clinical setting. After routine and a detailed metabolic workup of all patients of urolithiasis, stone samples of 50 patients of urolithiasis satisfying the entry criteria were subjected to the Fourier transform infrared spectroscopic analysis after adequate sample homogenization at a single testing center. Calcium oxalate monohydrate and dihydrate stone mixture was most commonly encountered in 35 (71%) followed by calcium phosphate, carbonate apatite, magnesium ammonium hexahydrate and xanthine stones. Fourier transform infrared spectroscopy allows an accurate, reliable quantitative method of stone analysis. It also helps in maintaining a computerized large reference library. Knowledge of precise stone composition may allow the institution of appropriate prophylactic therapy despite the absence of any detectable metabolic abnormalities. This may prevent and or delay stone recurrence.

  11. Infrared spectra of proton transfer complexes of the cycleanine alkaloid in solid state

    Science.gov (United States)

    Kasende, Okuma E.; de Waal, D.

    2003-01-01

    Proton transfer complexes obtained between the cycleanine alkaloid and hydrogen chloride, hydrogen bromide and nitric acids have been investigated by infrared spectroscopic technique between 4000 and 400 cm -1 in KBr. The vibrational perturbations brought about by proton transfer complex formation, discussed in terms of preferred site of interaction, show that the proton of the inorganic acids is transferred to cycleanine through one of its N sites.

  12. Reactions of laser-ablated Co, Rh, and Ir with CO: Infrared spectra and density functional calculations of the metal carbonyl molecules, cations and anions in solid neon

    International Nuclear Information System (INIS)

    Zhou, M.; Andrews, L.

    1999-01-01

    Laser ablation produces metal atoms, cations, and electrons for reaction with CO during condensation in excess neon at 4 K. Infrared spectra are observed for the metal carbonyls, cations, and anions, which are identified from isotopic shifts ( 13 CO, C 18 O) and splittings using mixed isotopic precursors. Density functional calculations with pseudopotentials for Rh and Ir predict the observed carbonyl stretching frequencies within 1--2%. This characterization of the simple RhCO + , RhCO, and RhCO - (and Ir) species over a 350 cm -1 range provides a scale for comparison of larger catalytically active Rh and Ir carbonyl complexes in solution and on surfaces to estimate charge on the metal center. This work provides the first spectroscopic characterization of Rh and Ir carbonyl cations and anions except for the stable tetracarbonyl anions in solution

  13. Spectroscopic follow up of Kepler planet candidates

    DEFF Research Database (Denmark)

    Latham..[], D. W.; Cochran, W. D.; Marcy, G.W.

    2010-01-01

    Spectroscopic follow-up observations play a crucial role in the confirmation and characterization of transiting planet candidates identified by Kepler. The most challenging part of this work is the determination of radial velocities with a precision approaching 1 m/s in order to derive masses from...... spectroscopic orbits. The most precious resource for this work is HIRES on Keck I, to be joined by HARPS-North on the William Herschel Telescope when that new spectrometer comes on line in two years. Because a large fraction of the planet candidates are in fact stellar systems involving eclipsing stars...... and not planets, our strategy is to start with reconnaissance spectroscopy using smaller telescopes, to sort out and reject as many of the false positives as possible before going to Keck. During the first Kepler observing season in 2009, more than 100 nights of telescope time were allocated for this work, using...

  14. GTC/OSIRIS SPECTROSCOPIC IDENTIFICATION OF A FAINT L SUBDWARF IN THE UKIRT INFRARED DEEP SKY SURVEY

    International Nuclear Information System (INIS)

    Lodieu, N.; Osorio, M. R. Zapatero; MartIn, E. L.; Solano, E.; Aberasturi, M.

    2010-01-01

    We present the discovery of an L subdwarf in 234 deg 2 common to the UK InfraRed Telescope (UKIRT) Infrared Deep Sky Survey Large Area Survey Data Release 2 and the Sloan Digital Sky Survey Data Release 3. This is the fifth L subdwarf announced to date, the first one identified in the UKIRT Infrared Deep Sky Survey, and the faintest known. The blue optical and near-infrared colors of ULAS J135058.86+081506.8 and its overall spectra energy distribution are similar to the known mid-L subdwarfs. Low-resolution optical (700-1000 nm) spectroscopy with the Optical System for Imaging and low Resolution Integrated Spectroscopy spectrograph on the 10.4 m Gran Telescopio de Canarias reveals that ULAS J135058.86+081506.8 exhibits a strong K I pressure-broadened line at 770 nm and a red slope longward of 800 nm, features characteristics of L-type dwarfs. From direct comparison with the four known L subdwarfs, we estimate its spectral type to be sdL4-sdL6 and derive a distance in the interval 94-170 pc. We provide a rough estimate of the space density for mid-L subdwarfs of 1.5 x 10 -4 pc -3 .

  15. Structural characterization of humic-like substances with conventional and surface-enhanced spectroscopic techniques

    Science.gov (United States)

    Carletti, Paolo; Roldán, Maria Lorena; Francioso, Ornella; Nardi, Serenella; Sanchez-Cortes, Santiago

    2010-10-01

    Emission-excitation, synchronous fluorescence spectroscopy and surface-enhanced Raman scattering (SERS) combined with surface-enhanced fluorescence (SEF) were applied to aqueous solutions of a humic-like substance (HLS) extracted from earthworm faeces. All measurements were acquired in a wide range of pH (4-12) and analysed by the linear regression analysis. Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectra were also acquired to assist in the structural characterization of this HLS. The emission and excitation spectra allowed the identification of two main fluorophores in the analysed sample. Moreover, a close correlation between fluorescence intensities of each fluorophore with pH variation was observed. SERS and SEF, in agreement with the fluorescence spectroscopy, showed that the HLS at low pH values exists in an aggregated and coiled molecular structure while it is dispersed and uncoiled at alkaline conditions. The obtained spectra also evidenced that different conditions modify the functional groups exposed to the surrounding aqueous environment.

  16. Mössbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    Science.gov (United States)

    Jaén, Juan A.; Navarro, César

    2009-07-01

    Fourier transform infrared spectroscopy and Mössbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Mössbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  17. Spectroscopic characterization of galaxy clusters in RCS-1: spectroscopic confirmation, redshift accuracy, and dynamical mass-richness relation

    Science.gov (United States)

    Gilbank, David G.; Barrientos, L. Felipe; Ellingson, Erica; Blindert, Kris; Yee, H. K. C.; Anguita, T.; Gladders, M. D.; Hall, P. B.; Hertling, G.; Infante, L.; Yan, R.; Carrasco, M.; Garcia-Vergara, Cristina; Dawson, K. S.; Lidman, C.; Morokuma, T.

    2018-05-01

    We present follow-up spectroscopic observations of galaxy clusters from the first Red-sequence Cluster Survey (RCS-1). This work focuses on two samples, a lower redshift sample of ˜30 clusters ranging in redshift from z ˜ 0.2-0.6 observed with multiobject spectroscopy (MOS) on 4-6.5-m class telescopes and a z ˜ 1 sample of ˜10 clusters 8-m class telescope observations. We examine the detection efficiency and redshift accuracy of the now widely used red-sequence technique for selecting clusters via overdensities of red-sequence galaxies. Using both these data and extended samples including previously published RCS-1 spectroscopy and spectroscopic redshifts from SDSS, we find that the red-sequence redshift using simple two-filter cluster photometric redshifts is accurate to σz ≈ 0.035(1 + z) in RCS-1. This accuracy can potentially be improved with better survey photometric calibration. For the lower redshift sample, ˜5 per cent of clusters show some (minor) contamination from secondary systems with the same red-sequence intruding into the measurement aperture of the original cluster. At z ˜ 1, the rate rises to ˜20 per cent. Approximately ten per cent of projections are expected to be serious, where the two components contribute significant numbers of their red-sequence galaxies to another cluster. Finally, we present a preliminary study of the mass-richness calibration using velocity dispersions to probe the dynamical masses of the clusters. We find a relation broadly consistent with that seen in the local universe from the WINGS sample at z ˜ 0.05.

  18. Spectroscopic analysis of radiation-generated changes in tensile properties of a polyetherimide film

    International Nuclear Information System (INIS)

    Long, E.R. Jr.; Long, S.A.T.

    1985-05-01

    The effects of electron radiation on Ultem, a polyetherimide were studied for doses from 2 x 10 to the 9th power to 6 x 10 to the 9th power rad. Specimens were studied for tensile property testing and for electron paramagnetic resonance and infrared spectroscopic measurements of molecular structure. A Faraday cup design and a method for remote temperature measurement were developed. The spectroscopic data show that radiation caused dehydrogenation of methyl groups, rupture of main-chain ether linkage, and opening of imide rings, all to form radicals and indicate that the so-formed atomic hydrogen attached to phenyl radicals, but not to phenoxyl radicals, which would have formed hydroxyls. The observed decays of the radiation-generated phenoxyl, gem-dimethyl, and carbonyl radicals were interpreted as a combining of the radicals to form crosslinking. This crosslinking is the probable cause of the major reduction in the elongation of the tensile specimens after irradiation. Subsequent classical solubility tests indicate that the irradiation caused massive crosslinking

  19. Syntheses, spectroscopic properties and molecular structure of silver phytate complexes - IR, UV-VIS studies and DFT calculations

    Science.gov (United States)

    Zając, A.; Dymińska, L.; Lorenc, J.; Ptak, M.; Hanuza, J.

    2018-03-01

    Silver phytate IP6, IP6Ag, IP6Ag2 and IP6Ag3 complexes in the solid state have been synthesized changing the phosphate to metal mole ratio. The obtained products have been characterized by means of chemical and spectroscopic studies. Attenuated total reflection Fourier transform infrared technique and Raman microscope were used in the measurements. These results were discussed in terms of DFT (Density Functional Theory) quantum chemical calculations using the B3LYP/6-31G(d,p) approach. The molecular structures of these compounds have been proposed on the basis of group theory and geometry optimization taking into account the shape and the number of the observed bands corresponding to the stretching and bending vibrations of the phosphate group and metal-oxygen polyhedron. The role of inter- and intra-hydrogen bonds in stabilization of the structure has been discussed. It was found that three types of hydrogen bonds appear in the studied compounds: terminal, and those engaged in the inter- and intra-molecular interactions. The Fermi resonance as a result of the strong intra-molecular Osbnd H⋯O hydrogen bonds was discovered. Electron absorption spectra have been measured to characterize the electron properties of the studied complexes and their local symmetry.

  20. Spectroscopic investigation into the design of solid-acid catalysts for the low temperature dehydration of ethanol.

    Science.gov (United States)

    Potter, Matthew E; Aswegen, Sivan V; Gibson, Emma K; Silverwood, Ian P; Raja, Robert

    2016-07-14

    The increased demand for bulk hydrocarbons necessitates research into increasingly sustainable, energy-efficient catalytic processes. Owing to intricately designed structure-property correlations, SAPO-34 has become established as a promising material for the low temperature ethanol dehydration to produce ethylene. However, further optimization of this process requires a precise knowledge of the reaction mechanism at a molecular level. In order to achieve this a range of spectroscopic characterization techniques are required to probe both the interaction with the active site, and also the wider role of the framework. To this end we employ a combination of in situ infra-red and neutron scattering techniques to elucidate the influence of the surface ethoxy species in the activation of both diethyl ether and ethanol, towards the improved formation of ethylene at low temperatures. The combined conclusions of these studies is that the formation of ethylene is the rate determining step, which is of fundamental importance towards the development of this process and the introduction of bio-ethanol as a viable feedstock for ethylene production.

  1. Characterization of long-range plasmonic waveguides at visible to near-infrared regime

    Directory of Open Access Journals (Sweden)

    Sheng-Ting Huang

    2017-12-01

    Full Text Available Long-range surface plasmon polariton waveguides composed with thin gold stripes embedded in SU-8 polymer cladding with various stripe widths were fabricated. Material properties of the polymer cladding layer, gold thin film, and the device structures were discussed. Optical properties based on modal propagation were characterized at visible to near-infrared wavelengths. The measured propagation losses of waveguide widths from 3 to 9 μm at 633, 785, and 1550 nm are 7.5-18.8, 6.8-12.5, and 1.9-3.9 dB/mm, respectively. Guiding mode properties such as overlap integrals between the simulated and the measured fields and the polarization extinction ratios of the waveguides with different stripe widths were investigated at the telecommunication wavelength. Good accordance between the measurement and simulation results was presented.

  2. In-line quantification and characterization of membrane fouling

    KAUST Repository

    Bucs, Szilard

    2016-06-16

    Methods of detecting, quantifying and/or characterizing the fouling of a device from a combination of pressure and spectroscopic data are provided. The device can be any device containing components susceptible to fouling. Components can include membranes, pipes, or reactors. Suitable devices include membrane devices, heat exchangers, and chemical or bio-reactors. Membrane devices can include, for example, microfiltration devices, ultrafiltration devices, nanofiltration devices, reverse osmosis, forward osmosis, osmosis, reverse electrodialysis, electro- deionisation or membrane distillation devices. The methods can be applied to any type of membrane, including tubular, spiral, hollow fiber, flat sheet, and capillary membranes. The spectroscopic characterization can include measuring one or more of the absorption, fluorescence, or raman spectroscopic data of one or more foulants. The methods can allow for the early detection and/or characterization of fouling. The characterization can include determining the specific foulant(s) or type of foulant(s) present. The characterization of fouling can allow for the selection of an appropriate de-fouling method and timing.

  3. Brown dwarf photospheres are patchy: A Hubble space telescope near-infrared spectroscopic survey finds frequent low-level variability

    International Nuclear Information System (INIS)

    Buenzli, Esther; Apai, Dániel; Radigan, Jacqueline; Reid, I. Neill; Flateau, Davin

    2014-01-01

    Condensate clouds strongly impact the spectra of brown dwarfs and exoplanets. Recent discoveries of variable L/T transition dwarfs argued for patchy clouds in at least some ultracool atmospheres. This study aims to measure the frequency and level of spectral variability in brown dwarfs and to search for correlations with spectral type. We used Hubble Space Telescope/Wide Field Camera 3 to obtain spectroscopic time series for 22 brown dwarfs of spectral types ranging from L5 to T6 at 1.1-1.7 μm for ≈40 minutes per object. Using Bayesian analysis, we find six brown dwarfs with confident (p > 95%) variability in the relative flux in at least one wavelength region at sub-percent precision, and five brown dwarfs with tentative (p > 68%) variability. We derive a minimum variability fraction f min =27 −7 +11 % over all covered spectral types. The fraction of variables is equal within errors for mid-L, late-L, and mid-T spectral types; for early-T dwarfs we do not find any confident variable but the sample is too small to derive meaningful limits. For some objects, the variability occurs primarily in the flux peak in the J or H band, others are variable throughout the spectrum or only in specific absorption regions. Four sources may have broadband peak-to-peak amplitudes exceeding 1%. Our measurements are not sensitive to very long periods, inclinations near pole-on and rotationally symmetric heterogeneity. The detection statistics are consistent with most brown dwarf photospheres being patchy. While multiple-percent near-infrared variability may be rare and confined to the L/T transition, low-level heterogeneities are a frequent characteristic of brown dwarf atmospheres.

  4. Double-chain phospholipid end-capped polyurethanes: Synthesis, characterization and platelet adhesion study

    International Nuclear Information System (INIS)

    Tan Dongsheng; Zhang Xiaoqing; Li Jiehua; Tan Hong; Fu Qiang

    2012-01-01

    A novel phospholipid containing double chains and phosphotidylcholine polar head groups, 2-(10-(2-aminoethylamino)-10-oxodecanamido)-3-(decyloxy)-3-oxopropyl phosphorylcholine (ADDPC), was synthesized and characterized. Two kinds of double-chain phospholipid end-capped polyurethanes with different soft segments were prepared. The structure of prepared polyurethanes was characterized by X-ray photoelectron spectroscopic (XPS), attenuated total reflection Fourier transform infrared (ATR-FTIR) spectrometry and atomic force microscope (AFM), which indicated that the double-chain phospholipids enriched onto the top surface of the prepared polyurethane films. The preliminary evaluation of blood compatibility showed that these novel phospholipid end-capped polyurethanes could suppress platelet adhesion and activation effectively. This property did not depend on the chemical structure of polyurethanes. In addition, according to tensile test results, the phospholipid polyurethanes kept good mechanical properties in comparison with original polyurethanes. It is suggested that double-chain phospholipid end-caption has good potential for achieving both hemocompatibility and good mechanical properties simultaneously for polyurethanes.

  5. Infrared and Raman spectroscopic study of BDA-TTP [2,5-bis(1,3-dithian-2-ylidene) 1,3,4,6-tetrathiapentalene] and its charge-transfer salts

    Science.gov (United States)

    Uruichi, Mikio; Nakano, Chikako; Tanaka, Masayuki; Yakushi, Kyuya; Kaihatsu, Takayuki; Yamada, Jun-ichi

    2008-09-01

    Infrared and Raman spectra in the frequency range of 1200-1600 cm -1 were observed using BDA-TTP and (BDA-TTP)CuCl 2 crystals. The C =C stretching and CH 2 bending modes in this frequency region were assigned based on quantum chemical calculation of the normal modes by the density functional theory (DFT) method. The three C =C stretching modes of BDA-TTP showed a significant low-frequency shift upon oxidation. One of the Raman-active C =C stretching modes is strongly coupled with the charge-transfer excited state. Vibrational analysis was applied to β-(BDA-TTP) 2I 3. The infrared-active C =C stretching mode strongly suggests that the insulating state of β-(BDA-TTP) 2I 3 is characterized as a dimer-Mott state below 150 K.

  6. A NuSTAR survey of nearby ultraluminous infrared galaxies

    DEFF Research Database (Denmark)

    Teng, Stacy H.; Rigby, Jane R.; Stern, Daniel

    2015-01-01

    We present a Nuclear Spectroscopic Telescope Array (NuSTAR), Chandra, and XMM-Newton survey of nine of the nearest ultraluminous infrared galaxies (ULIRGs). The unprecedented sensitivity of NuSTAR at energies above 10 keV enables spectral modeling with far better precision than was previously......] line luminosity than do Seyfert 1 galaxies. We identify IRAS 08572+3915 as another candidate intrinsically X-ray weak source, similar to Mrk 231. We speculate that the X-ray weakness of IRAS 08572+3915 is related to its powerful outflow observed at other wavelengths....

  7. Clays as green catalysts in the cholesterol esterification: spectroscopic characterization and polymorphs identification by thermal analysis methods. An interdisciplinary laboratorial proposal for the undergraduate level

    International Nuclear Information System (INIS)

    Maria, Teresa M R.; Nunes, Rui M. D.; Pereira, Mariette M.; Eusebio, M. Ermelinda S.

    2009-01-01

    A laboratory experiment that enables the professor to introduce the problematic of sustainable development in pharmaceutical chemistry to undergraduate students is proposed, using a simple synthetic procedure. Cholesteryl acetate is prepared by the esterification of cholesterol using Montmorillonite K10 as heterogeneous catalyst. Cholesterol and cholesteryl acetate are characterized by spectroscopic ( 1 H RMN, 13 C RMN, FTIR) and thermal analysis techniques. The thermal methods are used to introduce the concepts of polymorphism and the nature of mesophases. (author)

  8. Advances in the characterization of InAs/GaSb superlattice infrared photodetectors

    Science.gov (United States)

    Wörl, A.; Daumer, V.; Hugger, T.; Kohn, N.; Luppold, W.; Müller, R.; Niemasz, J.; Rehm, R.; Rutz, F.; Schmidt, J.; Schmitz, J.; Stadelmann, T.; Wauro, M.

    2016-10-01

    This paper reports on advances in the electro-optical characterization of InAs/GaSb short-period superlattice infrared photodetectors with cut-off wavelengths in the mid-wavelength and long-wavelength infrared ranges. To facilitate in-line monitoring of the electro-optical device performance at different processing stages we have integrated a semi-automated cryogenic wafer prober in our process line. The prober is configured for measuring current-voltage characteristics of individual photodiodes at 77 K. We employ it to compile a spatial map of the dark current density of a superlattice sample with a cut-off wavelength around 5 μm patterned into a regular array of 1760 quadratic mesa diodes with a pitch of 370 μm and side lengths varying from 60 to 350 μm. The different perimeter-to-area ratios make it possible to separate bulk current from sidewall current contributions. We find a sidewall contribution to the dark current of 1.2×10-11 A/cm and a corrected bulk dark current density of 1.1×10-7 A/cm2, both at 200 mV reverse bias voltage. An automated data analysis framework can extract bulk and sidewall current contributions for various subsets of the test device grid. With a suitable periodic arrangement of test diode sizes, the spatial distribution of the individual contributions can thus be investigated. We found a relatively homogeneous distribution of both bulk dark current density and sidewall current contribution across the sample. With the help of an improved capacitance-voltage measurement setup developed to complement this technique a residual carrier concentration of 1.3×1015 cm-3 is obtained. The work is motivated by research into high performance superlattice array sensors with demanding processing requirements. A novel long-wavelength infrared imager based on a heterojunction concept is presented as an example for this work. It achieves a noise equivalent temperature difference below 30 mK for realistic operating conditions.

  9. Near-opposition martian limb-darkening: Quantification and implication for visible-near-infrared bidirectional reflectance studies.

    Science.gov (United States)

    de Grenier, Muriel; Pinet, Patrick C.

    1995-06-01

    A nearly global coverage of the martian eastern hemisphere, acquired under small phase angles and varying observational geometries conditions, has been produced from 1988 opposition by spectral (0.5-1 μm) imaging data obtained at the Pic du Midi Observatory in France. From this data set, the methodology presented here permits a systematic analysis of martian photometric behavior at a regional scale of 100-300 km in the visible and near-infrared. The quantification of limb-darkening as a function of wavelength and surface albedo gives access in martian regional properties as a function of wavelength and surface albedo and results in the production of visible and near-infrared geometric albedo maps. A linear relation between the limb darkening parameter k and geometric albedo exists in the near infrared. Based on laboratory studies, it suggests a spectral response of particulate type for the martian soil. Conversely, in the visible, the value of k parameter is 0.6 independent of albedo and is consistent with a single scattering photometric behavior in the surface layer. However, the observed change in the martian photometry from single to multiple scattering may be partially due to a large contribution of atmospheric scattering above 0.7 μm. In the absence of a multitemporal dataset analysis, it must be emphasized that the present results are a priori only pertinent to the atmospheric and surface conditions existing on Mars at the time of observation. However, this analysis may contribute to characterize some physical properties, such as surface roughness. In the near-infrared, for bright terrains, k tends to 0.8 and agrees with the presence of very fine particulate materials. Photometry of dark areas is more irregular (0.48 duricrust. Finally, we evaluate the influence of reflectance geometrical effects on the multispectral and spectroscopic data of the martian surface.

  10. Spectroscopic characterization of cell membranes and their constituents of the plant-associated soil bacterium Azospirillum brasilense

    Science.gov (United States)

    Kamnev, A. A.; Antonyuk, L. P.; Matora, L. Yu.; Serebrennikova, O. B.; Sumaroka, M. V.; Colina, M.; Renou-Gonnord, M.-F.; Ignatov, V. V.

    1999-05-01

    Structural and compositional features of bacterial membranes and some of their isolated constituents (cell surface lipopolysaccharide, phospholipids) of the plant-growth-promoting diazotrophic rhizobacterium Azospirillum brasilense (wild-type strain Sp245) were characterized using Fourier transform infrared (FTIR) spectroscopy and some other techniques. FTIR spectra of the cell membranes were shown to comprise the main vibration modes of the relevant lipopolysaccharide and protein components which are believed to be involved in associative plant-bacterium interactions, as well as of phospholipid constituents. The role and functions of metal cations in the structural organization and physicochemical properties of bacterial cell membranes are also discussed considering their accumulation in the membranes from the culture medium.

  11. Characterization of the new NSLS infrared microspectroscopy beamline U10B

    Energy Technology Data Exchange (ETDEWEB)

    Carr, G.L.

    1999-07-19

    The first of several new infrared beamlines, built on a modified bending magnet port of the NSLS VUV ring, is now operational for mid-infrared microspectroscopy. The port simultaneously delivers 40 mrad by 40 mrad to two separate beamlines and spectrometer endstations designated U10A and U10B. The latter is equipped with a scanning infrared microspectrometer. The combination of this instrument and high brightness synchrotron radiation makes diffraction-limited microspectroscopy practical. This paper describes the beamline's performance and presents quantitative information on the diffraction-limited resolution.

  12. CHARACTERIZING THE INFRARED SPECTRA OF SMALL, NEUTRAL, FULLY DEHYDROGENATED POLYCYCLIC AROMATIC HYDROCARBONS

    Energy Technology Data Exchange (ETDEWEB)

    Mackie, C. J.; Peeters, E.; Cami, J. [Department of Physics and Astronomy, University of Western Ontario, London, ON N6A 3K7 (Canada); Bauschlicher, C. W. Jr., E-mail: mackie@strw.leidenuniv.nl [NASA Ames Research Center, MS 245-6, Moffett Field, CA 94035 (United States)

    2015-02-01

    We present the results of a computational study to investigate the infrared spectroscopic properties of a large number of polycyclic aromatic hydrocarbon (PAH) molecules and their fully dehydrogenated counterparts. We constructed a database of fully optimized geometries for PAHs that is complete for eight or fewer fused benzene rings, thus containing 1550 PAHs and 805 fully dehydrogenated aromatics. A large fraction of the species in our database have clearly non-planar or curved geometries. For each species, we determined the frequencies and intensities of their normal modes using density functional theory calculations. Whereas most PAH spectra are fairly similar, the spectra of fully dehydrogenated aromatics are much more diverse. Nevertheless, these fully dehydrogenated species show characteristic emission features at 5.2 μm, 5.5 μm, and 10.6 μm; at longer wavelengths, there is a forest of emission features in the 16-30 μm range that appears as a structured continuum, but with a clear peak centered around 19 μm. We searched for these features in Spitzer-IRS spectra of various positions in the reflection nebula NGC 7023. We find a weak emission feature at 10.68 μm in all positions except that closest to the central star. We also find evidence for a weak 19 μm feature at all positions that is not likely due to C{sub 60}. We interpret these features as tentative evidence for the presence of a small population of fully dehydrogenated PAHs, and discuss our results in the framework of PAH photolysis and the formation of fullerenes.

  13. Sampling and characterization of aerosols formed in the atmospheric hydrolysis of UF6

    International Nuclear Information System (INIS)

    Bostick, W.D.; McCulla, W.H.; Pickrell, P.W.; Branam, D.A.

    1983-01-01

    When gaseous UF 6 is released into the atmosphere, it rapidly reacts with ambient moisture to form an aerosol of uranyl fluoride and HF. As part of our Safety Analysis program, we have performed several experimental releases of UF 6 (from natural uranium) in contained volumes in order to investigate techniques for sampling and characterizing the aerosol materials. The aggregrate particle morphology and size distribution have been found to be dependent upon several conditions, including the relative humidity at the time of the release and the elapse time after the release. Aerosol composition and settling rate have been investigated using isokinetic samplers for the separate collection of UO 2 F 2 and HF, and via laser spectroscopic remote sensing (Mie scatter and infrared spectroscopy). 8 references

  14. Low background infrared (LBIR) facility

    Data.gov (United States)

    Federal Laboratory Consortium — The Low background infrared (LBIR) facility was originally designed to calibrate user supplied blackbody sources and to characterize low-background IR detectors and...

  15. Bis(pentamethylene)urea complexes of the lanthanide nitrates: synthesis, characterization, properties

    International Nuclear Information System (INIS)

    Souza, H.K.S. de; Pedrosa, A.M.G.; Marinho, E.P.M.; Batista, M.K.S.; Melo, D.M.A.; Zinner, K.; Zinner, L.B.; Zukerman-Schpector, J.; Vicentini, G.

    2003-01-01

    Lanthanide nitrate complexes of bis(pentamethylene)urea (BPMU) with general formula Ln(NO 3 ) 3 3BPMU, where Ln: La, Nd, Sm, Eu, Ho and Er have been prepared and characterized based on CHN elemental analyses, lanthanide titration with EDTA, molar conductivity, spectroscopic data and thermal studies. The infrared spectra show that ligands (BPMU) are bonded through the carbonyl oxygen, nitrate counter-ions are bidentate linked to the central ions. The structure of the neodymium complex was determined. The crystal is monoclinic, P2 1/c ,Z=4, with the following parameters: a=10.148(1) A, b=21.879(2), c=19.154(2) A, β=104.11(1) deg., V=4124.3(7) A 3 . The polyhedron is a distorted tricapped trigonal prism, coordination number nine

  16. Near-infrared oxygen airglow from the Venus nightside

    Science.gov (United States)

    Crisp, D.; Meadows, V. S.; Allen, D. A.; Bezard, B.; Debergh, C.; Maillard, J.-P.

    1992-01-01

    Groundbased imaging and spectroscopic observations of Venus reveal intense near-infrared oxygen airglow emission from the upper atmosphere and provide new constraints on the oxygen photochemistry and dynamics near the mesopause (approximately 100 km). Atomic oxygen is produced by the Photolysis of CO2 on the dayside of Venus. These atoms are transported by the general circulation, and eventually recombine to form molecular oxygen. Because this recombination reaction is exothermic, many of these molecules are created in an excited state known as O2(delta-1). The airglow is produced as these molecules emit a photon and return to their ground state. New imaging and spectroscopic observations acquired during the summer and fall of 1991 show unexpected spatial and temporal variations in the O2(delta-1) airglow. The implications of these observations for the composition and general circulation of the upper venusian atmosphere are not yet understood but they provide important new constraints on comprehensive dynamical and chemical models of the upper mesosphere and lower thermosphere of Venus.

  17. The infrared camera prototype characterization for the JEM-EUSO space mission

    International Nuclear Information System (INIS)

    Morales de los Ríos, J.A.; Joven, E.; Peral, L. del; Reyes, M.; Licandro, J.; Rodríguez Frías, M.D.

    2014-01-01

    JEM-EUSO (Extreme Universe Space Observatory on Japanese Experiment Module) is an advanced observatory that will be on-board the International Space Station (ISS) and use the Earth's atmosphere as a huge calorimeter detector. However, the atmospheric clouds introduce uncertainties in the signals measured by JEM-EUSO. Therefore, it is extremely important to know the atmospheric conditions and properties of the clouds in the Field of View (FoV) of the telescope. The Atmospheric Monitoring System (AMS) of JEM-EUSO includes a lidar and an infrared imaging system, IR-Camera, aimed to detect the presence of clouds and to obtain the cloud coverage and cloud top altitude during the observations of the JEM-EUSO main telescope. To define the road-map for the design of the electronics, the detector has been tested extensively with a first prototype. The actual design of the IR-Camera, the test of the prototype, and the outcome of this characterization are presented in this paper

  18. The infrared camera prototype characterization for the JEM-EUSO space mission

    Energy Technology Data Exchange (ETDEWEB)

    Morales de los Ríos, J.A., E-mail: josealberto.morales@uah.es [SPace and AStroparticle (SPAS) Group, UAH, Madrid (Spain); Ebisuzaki Computational Astrophysics Laboratory, RIKEN (Japan); Joven, E. [Instituto de Astrofísica de Canarias (IAC), Tenerife (Spain); Peral, L. del [SPace and AStroparticle (SPAS) Group, UAH, Madrid (Spain); Leonard E. Parker Center for Gravitation, Cosmology and Astrophysics, University of Wisconsin-Milwaukee (United States); Reyes, M. [Instituto de Astrofísica de Canarias (IAC), Tenerife (Spain); Licandro, J. [Instituto de Astrofísica de Canarias (IAC), Tenerife (Spain); Departamento de Astrofísica, Universidad de La Laguna, Tenerife (Spain); Rodríguez Frías, M.D. [SPace and AStroparticle (SPAS) Group, UAH, Madrid (Spain); Instituto de Astrofísica de Canarias (IAC), Tenerife (Spain)

    2014-06-01

    JEM-EUSO (Extreme Universe Space Observatory on Japanese Experiment Module) is an advanced observatory that will be on-board the International Space Station (ISS) and use the Earth's atmosphere as a huge calorimeter detector. However, the atmospheric clouds introduce uncertainties in the signals measured by JEM-EUSO. Therefore, it is extremely important to know the atmospheric conditions and properties of the clouds in the Field of View (FoV) of the telescope. The Atmospheric Monitoring System (AMS) of JEM-EUSO includes a lidar and an infrared imaging system, IR-Camera, aimed to detect the presence of clouds and to obtain the cloud coverage and cloud top altitude during the observations of the JEM-EUSO main telescope. To define the road-map for the design of the electronics, the detector has been tested extensively with a first prototype. The actual design of the IR-Camera, the test of the prototype, and the outcome of this characterization are presented in this paper.

  19. Partial Least Square with Savitzky Golay Derivative in Predicting Blood Hemoglobin Using Near Infrared Spectrum

    Directory of Open Access Journals (Sweden)

    Mohd Idrus Mohd Nazrul Effendy

    2018-01-01

    Full Text Available Near infrared spectroscopy (NIRS is a reliable technique that widely used in medical fields. Partial least square was developed to predict blood hemoglobin concentration using NIRS. The aims of this paper are (i to develop predictive model for near infrared spectroscopic analysis in blood hemoglobin prediction, (ii to establish relationship between blood hemoglobin and near infrared spectrum using a predictive model, (iii to evaluate the predictive accuracy of a predictive model based on root mean squared error (RMSE and coefficient of determination rp2. Partial least square with first order Savitzky Golay (SG derivative preprocessing (PLS-SGd1 showed the higher performance of predictions with RMSE = 0.7965 and rp2= 0.9206 in K-fold cross validation. Optimum number of latent variable (LV and frame length (f were 32 and 27 nm, respectively. These findings suggest that the relationship between blood hemoglobin and near infrared spectrum is strong, and the partial least square with first order SG derivative is able to predict the blood hemoglobin using near infrared spectral data.

  20. Developing Wide-Field Spatio-Spectral Interferometry for Far-Infrared Space Applications

    Science.gov (United States)

    Leisawitz, David; Bolcar, Matthew R.; Lyon, Richard G.; Maher, Stephen F.; Memarsadeghi, Nargess; Rinehart, Stephen A.; Sinukoff, Evan J.

    2012-01-01

    Interferometry is an affordable way to bring the benefits of high resolution to space far-IR astrophysics. We summarize an ongoing effort to develop and learn the practical limitations of an interferometric technique that will enable the acquisition of high-resolution far-IR integral field spectroscopic data with a single instrument in a future space-based interferometer. This technique was central to the Space Infrared Interferometric Telescope (SPIRIT) and Submillimeter Probe of the Evolution of Cosmic Structure (SPECS) space mission design concepts, and it will first be used on the Balloon Experimental Twin Telescope for Infrared Interferometry (BETTII). Our experimental approach combines data from a laboratory optical interferometer (the Wide-field Imaging Interferometry Testbed, WIIT), computational optical system modeling, and spatio-spectral synthesis algorithm development. We summarize recent experimental results and future plans.

  1. THE SPITZER SPECTROSCOPIC SURVEY OF THE SMALL MAGELLANIC CLOUD (S4MC): PROBING THE PHYSICAL STATE OF POLYCYCLIC AROMATIC HYDROCARBONS IN A LOW-METALLICITY ENVIRONMENT

    International Nuclear Information System (INIS)

    Sandstrom, Karin M.; Bolatto, Alberto D.; Bot, Caroline; Draine, B. T.; Ingalls, James G.; Israel, Frank P.; Tielens, A. G. G. M.; Jackson, James M.; Leroy, Adam K.; Li, Aigen; Rubio, Mónica; Simon, Joshua D.; Smith, J. D. T.; Stanimirović, Snežana; Van Loon, Jacco Th.

    2012-01-01

    We present results of mid-infrared spectroscopic mapping observations of six star-forming regions in the Small Magellanic Cloud (SMC) from the Spitzer Spectroscopic Survey of the SMC (S 4 MC). We detect the mid-IR emission from polycyclic aromatic hydrocarbons (PAHs) in all of the mapped regions, greatly increasing the range of environments where PAHs have been spectroscopically detected in the SMC. We investigate the variations of the mid-IR bands in each region and compare our results to studies of the PAH bands in the SINGS sample and in a sample of low-metallicity starburst galaxies. PAH emission in the SMC is characterized by low ratios of the 6-9 μm features relative to the 11.3 μm feature and weak 8.6 and 17.0 μm features. Interpreting these band ratios in the light of laboratory and theoretical studies, we find that PAHs in the SMC tend to be smaller and less ionized than those in higher metallicity galaxies. Based on studies of PAH destruction, we argue that a size distribution shifted toward smaller PAHs cannot be the result of processing in the interstellar medium, but instead reflects differences in the formation of PAHs at low metallicity. Finally, we discuss the implications of our observations for our understanding of the PAH life-cycle in low-metallicity galaxies—namely that the observed deficit of PAHs may be a consequence of PAHs forming with smaller average sizes and therefore being more susceptible to destruction under typical interstellar medium conditions.

  2. Characterization and Performance of the Cananea Near-infrared Camera (CANICA)

    Science.gov (United States)

    Devaraj, R.; Mayya, Y. D.; Carrasco, L.; Luna, A.

    2018-05-01

    We present details of characterization and imaging performance of the Cananea Near-infrared Camera (CANICA) at the 2.1 m telescope of the Guillermo Haro Astrophysical Observatory (OAGH) located in Cananea, Sonora, México. CANICA has a HAWAII array with a HgCdTe detector of 1024 × 1024 pixels covering a field of view of 5.5 × 5.5 arcmin2 with a plate scale of 0.32 arcsec/pixel. The camera characterization involved measuring key detector parameters: conversion gain, dark current, readout noise, and linearity. The pixels in the detector have a full-well-depth of 100,000 e‑ with the conversion gain measured to be 5.8 e‑/ADU. The time-dependent dark current was estimated to be 1.2 e‑/sec. Readout noise for correlated double sampled (CDS) technique was measured to be 30 e‑/pixel. The detector shows 10% non-linearity close to the full-well-depth. The non-linearity was corrected within 1% levels for the CDS images. Full-field imaging performance was evaluated by measuring the point spread function, zeropoints, throughput, and limiting magnitude. The average zeropoint value in each filter are J = 20.52, H = 20.63, and K = 20.23. The saturation limit of the detector is about sixth magnitude in all the primary broadbands. CANICA on the 2.1 m OAGH telescope reaches background-limited magnitudes of J = 18.5, H = 17.6, and K = 16.0 for a signal-to-noise ratio of 10 with an integration time of 900 s.

  3. Reference-free spectroscopic determination of fat and protein in milk in the visible and near infrared region below 1000nm using spatially resolved diffuse reflectance fiber probe.

    Science.gov (United States)

    Bogomolov, Andrey; Belikova, Valeria; Galyanin, Vladislav; Melenteva, Anastasiia; Meyer, Hans

    2017-05-15

    New technique of diffuse reflectance spectroscopic analysis of milk fat and total protein content in the visible (Vis) and adjacent near infrared (NIR) region (400-995nm) has been developed and tested. Sample analysis was performed through a probe having eight 200-µm fiber channels forming a linear array. One of the end fibers was used for the illumination and other seven - for the spectroscopic detection of diffusely reflected light. One of the detection channels was used as a reference to normalize the spectra and to convert them into absorbance-equivalent units. The method has been tested experimentally using a designed sample set prepared from industrial raw milk standards with widely varying fat and protein content. To increase the modelling robustness all milk samples were measured in three different homogenization degrees. Comprehensive data analysis has shown the advantage of combining both spectral and spatial resolution in the same measurement and revealed the most relevant channels and wavelength regions. The modelling accuracy was further improved using joint variable selection and preprocessing optimization method based on the genetic algorithm. The root mean-square errors of different validation methods were below 0.10% for fat and below 0.08% for total protein content. Based on the present experimental data, it was computationally shown that the full-spectrum analysis in this method can be replaced by a sensor measurement at several specific wavelengths, for instance, using light-emitting diodes (LEDs) for illumination. Two optimal sensor configurations have been suggested: with nine LEDs for the analysis of fat and seven - for protein content. Both simulated sensors exhibit nearly the same component determination accuracy as corresponding full-spectrum analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. ALMA WILL DETERMINE THE SPECTROSCOPIC REDSHIFT z > 8 WITH FIR [O III] EMISSION LINES

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, A. K.; Shimizu, I. [College of General Education, Osaka Sangyo University, 3-1-1 Nakagaito, Daito, Osaka 574-8530 (Japan); Tamura, Y. [Institute of Astronomy, The University of Tokyo, Mitaka, Tokyo 181-0015 (Japan); Matsuo, H. [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Okamoto, T. [Department of Cosmosciences, Graduate School of Science, Hokkaido University, N10 W8, Kitaku, Sapporo 060-0810 (Japan); Yoshida, N., E-mail: akinoue@las.osaka-sandai.ac.jp [Department of Physics, The University of Tokyo, 7-3-1 Hongo, Tokyo 113-0033 (Japan)

    2014-01-10

    We investigate the potential use of nebular emission lines in the rest-frame far-infrared (FIR) for determining spectroscopic redshift of z > 8 galaxies with the Atacama Large Millimeter/submillimeter Array (ALMA). After making a line emissivity model as a function of metallicity, especially for the [O III] 88 μm line which is likely to be the strongest FIR line from H II regions, we predict the line fluxes from high-z galaxies based on a cosmological hydrodynamics simulation of galaxy formation. Since the metallicity of galaxies reaches at ∼0.2 Z {sub ☉} even at z > 8 in our simulation, we expect the [O III] 88 μm line as strong as 1.3 mJy for 27 AB objects, which is detectable at a high significance by <1 hr integration with ALMA. Therefore, the [O III] 88 μm line would be the best tool to confirm the spectroscopic redshifts beyond z = 8.

  5. THE APOKASC CATALOG: AN ASTEROSEISMIC AND SPECTROSCOPIC JOINT SURVEY OF TARGETS IN THE KEPLER FIELDS

    Energy Technology Data Exchange (ETDEWEB)

    Pinsonneault, Marc H.; Epstein, Courtney; Johnson, Jennifer A. [Department of Astronomy, The Ohio State University, Columbus, OH 43210 (United States); Elsworth, Yvonne; Chaplin, William J. [University of Birmingham, School of Physics and Astronomy, Edgbaston, Birmingham B15 2TT (United Kingdom); Hekker, Saskia; Silva Aguirre, Victor; Stello, Dennis [Stellar Astrophysics Centre, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Mészáros, Sz. [Astronomy Department, Indiana University, Bloomington, IN 47405 (United States); García, Rafael A.; Beck, Paul [Laboratoire AIM, CEA/DSM-CNRS—Université Denis Diderot-IRFU/SAp, F-91191 Gif-sur-Yvette Cedex (France); Holtzman, Jon [Department of Astronomy, MSC 4500, New Mexico State University, P.O. Box 30001, Las Cruces, NM 88003 (United States); Mathur, Savita [Space Science Institute, 4750 Walnut street, Suite 205, Boulder, CO 80301 (United States); García Pérez, Ana [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904-4325 (United States); Girardi, Léo [Osservatorio Astronomico di Padova—INAF, Vicolo dell' Osservatorio 5, I-35122 Padova (Italy); Basu, Sarbani [Department of Astronomy, Yale University, P.O. Box 208101, New Haven, CT 06520-8101 (United States); Shetrone, Matthew [University of Texas at Austin, McDonald Observatory, 32 Fowlkes Road, TX 79734-3005 (United States); Allende Prieto, Carlos [Instituto de Astrofsica de Canarias (IAC), C/Va Lactea, s/n, E-38200 La Laguna, Tenerife (Spain); An, Deokkeun [Department of Science Education, Ewha Womans University, Seoul (Korea, Republic of); Beers, Timothy C., E-mail: pinsonneault.1@osu.edu [Department of Physics, University of Notre Dame, 225 Nieuwland Science Hall, Notre Dame, IN 46656 (United States); and others

    2015-01-01

    We present the first APOKASC catalog of spectroscopic and asteroseismic properties of 1916 red giants observed in the Kepler fields. The spectroscopic parameters provided from the Apache Point Observatory Galactic Evolution Experiment project are complemented with asteroseismic surface gravities, masses, radii, and mean densities determined by members of the Kepler Asteroseismology Science Consortium. We assess both random and systematic sources of error and include a discussion of sample selection for giants in the Kepler fields. Total uncertainties in the main catalog properties are of the order of 80 K in T {sub eff}, 0.06 dex in [M/H], 0.014 dex in log g, and 12% and 5% in mass and radius, respectively; these reflect a combination of systematic and random errors. Asteroseismic surface gravities are substantially more precise and accurate than spectroscopic ones, and we find good agreement between their mean values and the calibrated spectroscopic surface gravities. There are, however, systematic underlying trends with T {sub eff} and log g. Our effective temperature scale is between 0 and 200 K cooler than that expected from the infrared flux method, depending on the adopted extinction map, which provides evidence for a lower value on average than that inferred for the Kepler Input Catalog (KIC). We find a reasonable correspondence between the photometric KIC and spectroscopic APOKASC metallicity scales, with increased dispersion in KIC metallicities as the absolute metal abundance decreases, and offsets in T {sub eff} and log g consistent with those derived in the literature. We present mean fitting relations between APOKASC and KIC observables and discuss future prospects, strengths, and limitations of the catalog data.

  6. Quantum dot infrared photodetectors based on indium phosphide

    International Nuclear Information System (INIS)

    Gebhard, T.

    2011-01-01

    The subject of this work is a systematic study of quantum dot infrared photodetectors based on indium-phosphide substrate by means of various spectroscopic and electronic measurement methods in order to understand the physical and technological processes. This enables a concise definition of strategies in order to realize next generation devices in this material system and to gain overall progress in the research field of quantum dot infrared photodetectors. The interpretation of the experimental results is supported by analytical and numerical simulations. The samples, grown by collaboration partners, were characterized using differential transmission and fast Fourier transform infrared spectroscopy, with a special emphasis on the latter one. Therefore, samples both in wedged waveguide geometry and samples with gold coated mesa structures have been processed. A large part of the discussion is dedicated to the current voltage characteristic of the devices, due to its large importance for device optimization, i.e. the reduction of the dark current plays a crucial role in the research field of high temperature infrared photon-detection. Further, results of photoluminescence measurements, performed by collaboration partners, have been used in order to attain a more complete picture of the samples' electronic band structure and in order to obtain complementary information with respect to other measurement methods applied within the experimental work and the simulation of the structures. In agreement to the simulations, a photocurrent response was observed at 6 and at 12 μm up to a temperature of 80 K, depending on the samples' design. The principle of parameter scaling was applied to the samples, in order to assign physical effects either to details in the samples' design or to technological quality aspects, i.e. the doping level and the thickness of the capping layer was varied. In addition to that a quantum well was introduced within a series of samples in order to

  7. Kinetic inductance detectors for far-infrared spectroscopy

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  8. Kinetic inductance detectors for far-infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-07-11

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

  9. Thermal analysis and infrared emission spectroscopic study of halloysite-potassium acetate intercalation compound

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Hongfei [School of Geoscience and Surveying Engineering, China University of Mining and Technology, Beijing 100083 China (China); School of Mining Engineering, Inner Mongolia University of Science and Technology, Baotou 014010 (China); Chemistry Discipline, Faculty of Science and Technology, Queensland University of Technology, 2 George Street, GPO Box 2434, Brisbane, Queensland 4001 (Australia); Liu, Qinfu [School of Geoscience and Surveying Engineering, China University of Mining and Technology, Beijing 100083 China (China); Yang, Jing [Chemistry Discipline, Faculty of Science and Technology, Queensland University of Technology, 2 George Street, GPO Box 2434, Brisbane, Queensland 4001 (Australia); Zhang, Jinshan [School of Mining Engineering, Inner Mongolia University of Science and Technology, Baotou 014010 (China); Frost, Ray L., E-mail: r.frost@qut.edu.au [Chemistry Discipline, Faculty of Science and Technology, Queensland University of Technology, 2 George Street, GPO Box 2434, Brisbane, Queensland 4001 (Australia)

    2010-11-20

    The thermal decomposition of halloysite-potassium acetate intercalation compound was investigated by thermogravimetric analysis and infrared emission spectroscopy. The X-ray diffraction patterns indicated that intercalation of potassium acetate into halloysite caused an increase of the basal spacing from 1.00 to 1.41 nm. The thermogravimetry results show that the mass losses of intercalation the compound occur in main three main steps, which correspond to (a) the loss of adsorbed water, (b) the loss of coordination water and (c) the loss of potassium acetate and dehydroxylation. The temperature of dehydroxylation and dehydration of halloysite is decreased about 100 {sup o}C. The infrared emission spectra clearly show the decomposition and dehydroxylation of the halloysite intercalation compound when the temperature is raised. The dehydration of the intercalation compound is followed by the loss of intensity of the stretching vibration bands at region 3600-3200 cm{sup -1}. Dehydroxylation is followed by the decrease in intensity in the bands between 3695 and 3620 cm{sup -1}. Dehydration was completed by 300 {sup o}C and partial dehydroxylation by 350 {sup o}C. The inner hydroxyl group remained until around 500 {sup o}C.

  10. Performance assessment of diffuse optical spectroscopic imaging instruments in a 2-year multicenter breast cancer trial

    Science.gov (United States)

    Leproux, Anaïs; O'Sullivan, Thomas D.; Cerussi, Albert; Durkin, Amanda; Hill, Brian; Hylton, Nola; Yodh, Arjun G.; Carp, Stefan A.; Boas, David; Jiang, Shudong; Paulsen, Keith D.; Pogue, Brian; Roblyer, Darren; Yang, Wei; Tromberg, Bruce J.

    2017-12-01

    We present a framework for characterizing the performance of an experimental imaging technology, diffuse optical spectroscopic imaging (DOSI), in a 2-year multicenter American College of Radiology Imaging Network (ACRIN) breast cancer study (ACRIN-6691). DOSI instruments combine broadband frequency-domain photon migration with time-independent near-infrared (650 to 1000 nm) spectroscopy to measure tissue absorption and reduced scattering spectra and tissue hemoglobin, water, and lipid composition. The goal of ACRIN-6691 was to test the effectiveness of optically derived imaging endpoints in predicting the final pathologic response of neoadjuvant chemotherapy (NAC). Sixty patients were enrolled over a 2-year period at participating sites and received multiple DOSI scans prior to and during 3- to 6-month NAC. The impact of three sources of error on accuracy and precision, including different operators, instruments, and calibration standards, was evaluated using a broadband reflectance standard and two different solid tissue-simulating optical phantoms. Instruments showed <0.0010 mm-1 (10.3%) and 0.06 mm-1 (4.7%) deviation in broadband absorption and reduced scattering, respectively, over the 2-year duration of ACRIN-6691. These variations establish a useful performance criterion for assessing instrument stability. The proposed procedures and tests are not limited to DOSI; rather, they are intended to provide methods to characterize performance of any instrument used in translational optical imaging.

  11. Studies on the binding behavior of prodigiosin with bovine hemoglobin by multi-spectroscopic techniques

    Science.gov (United States)

    Tang, Jing; Yang, Chao; Zhou, Lin; Ma, Fei; Liu, Shuchao; Wei, Shaohua; Zhou, Jiahong; Zhou, Yanhuai

    2012-10-01

    In this article, the interaction mechanism of prodigiosin (PG) with bovine hemoglobin (BHb) is studied in detail using various spectroscopic technologies. UV-vis absorption and fluorescence spectra demonstrate the interaction process. The Stern-Volmer plot and the time-resolved fluorescence study suggest the quenching mechanism of fluorescence of BHb by PG is a static quenching procedure, and the hydrophobic interactions play a major role in binding of PG to BHb. Furthermore, synchronous fluorescence studies, Fourier transform infrared (FTIR) and circular dichroism (CD) spectra reveal that the conformation of BHb is changed after conjugation with PG.

  12. Synthesis, characterization and spectroscopic properties of a new Nd{sup 3+}-doped Co-picromerite-type Tutton salt

    Energy Technology Data Exchange (ETDEWEB)

    Souamti, A., E-mail: souamtiahmed88@gmail.com [Laboratoire d' Application de la Chimie aux Ressources et Substances Naturelles et à l' Environnement, Département de Chimie, Université de Carthage, Faculté des Sciences de Bizerte, Zarzouna, Bizerte 7021 (Tunisia); Martín, I.R. [Departamento de Física, Universidad de La Laguna, 38206 La Laguna (Spain); Zayani, L. [Laboratoire d' Application de la Chimie aux Ressources et Substances Naturelles et à l' Environnement, Département de Chimie, Université de Carthage, Faculté des Sciences de Bizerte, Zarzouna, Bizerte 7021 (Tunisia); Hernández-Rodríguez, M.A.; Soler-Carracedo, K.; Lozano-Gorrín, A.D. [Departamento de Física, Universidad de La Laguna, 38206 La Laguna (Spain); Lalla, E. [Extreme Light Infrastructure – Nuclear Physics (ELI-NP), Horia Hulubei, National Institute of Physics and Nuclear Engineering (IFIN HH), 30, Reactorului Street, P.O. Box MG-6, 077125 Magurele, jud. Ilfov (Romania); Chehimi, D. Ben Hassen [Laboratoire d' Application de la Chimie aux Ressources et Substances Naturelles et à l' Environnement, Département de Chimie, Université de Carthage, Faculté des Sciences de Bizerte, Zarzouna, Bizerte 7021 (Tunisia)

    2016-09-15

    Single crystals of Nd{sup 3+}-doped Co-picromerite has been synthesized by the slow evaporation method. After two weeks on hold, the crystals obtained were characterized by different techniques, indeed X-ray powder diffraction (XRPD) shows that these compounds crystallize in the monoclinic system with space group P21/a. Complete dehydration of the double salt was obtained before reaching 200 °C with a phase transition of KS around 570 °C. The IR spectroscopic study confirms the vibrational modes of the sulfate groups and water molecules. Exciting at 473 nm, the emission peaks associated with the 4F{sub 5/2}→4I{sub 9/2}, 4F{sub 3/2}→4I{sub 9/2} and 4F{sub 3/2}→4I{sub 11/2} transitions were observed. The luminescence decay curve was analyzed in the frame of the Inokuti-Hirayama model in order to obtain the intrinsic lifetime and the energy transfer parameter among Nd{sup 3+}ions.

  13. [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.

  14. Visible and infrared photoluminescence from erbium-doped silicon nanocrystals produced by rf sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Cerqueira, M.F.; Alpuim, P. [Departamento de Fisica, Universidade do Minho, Braga (Portugal); Losurdo, M. [Plasma Chemistry Research Center, CNR, Bari (Italy); Monteiro, T.; Soares, M.J.; Peres, M. [Departamento de Fisica, Universidade de Aveiro, Aveiro (Portugal); Stepikova, M. [Institute for Physics of Microstructures RAS, 603600 Nizhnij Novgorod GSP-105 (Russian Federation)

    2007-06-15

    Erbium-doped low-dimensional Si films with different microstructures were deposited by reactive magnetron sputtering on glass substrates by varying the hydrogen flow rate during deposition. Amorphous, micro- and nanocrystalline samples, consisting of Si nanocrystalls embedded in silicon-based matrices with different structures, were achieved with optical properties in the visible and IR depending on nanocrystalline fraction and matrix structure and chemical composition. Structural characterization was performed by X-ray diffraction in the grazing incidence geometry and Raman spectroscopy. The chemical composition was studied using RBS/ERD techniques. Spectroscopic ellipsometry was combined with the previous techniques to further resolve the film microstructure and composition. In particular, the distribution along the film thickness of the volume fractions of nanocrystalline/amorphous silicon and SiO{sub x} phases has been obtained. In this contribution we discuss visible and infrared photoluminescence as a function of sample microstructure and of the oxygen/hydrogen concentration ratio present in the matrix. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. THE SPITZER SPECTROSCOPIC SURVEY OF THE SMALL MAGELLANIC CLOUD (S{sup 4}MC): PROBING THE PHYSICAL STATE OF POLYCYCLIC AROMATIC HYDROCARBONS IN A LOW-METALLICITY ENVIRONMENT

    Energy Technology Data Exchange (ETDEWEB)

    Sandstrom, Karin M. [Max Planck Institut fuer Astronomie, D-69117 Heidelberg (Germany); Bolatto, Alberto D. [Department of Astronomy and Laboratory for Millimeter-wave Astronomy, University of Maryland, College Park, MD 20742 (United States); Bot, Caroline [Universite de Strasbourg, Observatoire Astronomique de Strasbourg, F-67000 Strasbourg (France); Draine, B. T. [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); Ingalls, James G. [Spitzer Science Center, California Institute of Technology, Pasadena, CA 91125 (United States); Israel, Frank P.; Tielens, A. G. G. M. [Sterrewacht Leiden, Leiden University, 2300 RA Leiden (Netherlands); Jackson, James M. [Institute for Astrophysical Research, Boston University, Boston, MA 02215 (United States); Leroy, Adam K. [National Radio Astronomy Observatory, Charlottesville, VA 22903 (United States); Li, Aigen [Department of Physics and Astronomy, University of Missouri, Columbia, MO 65213 (United States); Rubio, Monica [Departamento de Astronomia, Universidad de Chile, Casilla 36-D, Santiago (Chile); Simon, Joshua D. [Observatories of the Carnegie Institution of Washington, Pasadena, CA 91101 (United States); Smith, J. D. T. [Ritter Astrophysical Research Center, University of Toledo, Toledo, OH 43603 (United States); Stanimirovic, Snezana [Department of Astronomy, University of Wisconsin, Madison, Madison, WI 53703 (United States); Van Loon, Jacco Th., E-mail: sandstrom@mpia.de [Astrophysics Group, Lennard-Jones Laboratories, Keele University, Staffordshire ST5 5BG (United Kingdom)

    2012-01-01

    We present results of mid-infrared spectroscopic mapping observations of six star-forming regions in the Small Magellanic Cloud (SMC) from the Spitzer Spectroscopic Survey of the SMC (S{sup 4}MC). We detect the mid-IR emission from polycyclic aromatic hydrocarbons (PAHs) in all of the mapped regions, greatly increasing the range of environments where PAHs have been spectroscopically detected in the SMC. We investigate the variations of the mid-IR bands in each region and compare our results to studies of the PAH bands in the SINGS sample and in a sample of low-metallicity starburst galaxies. PAH emission in the SMC is characterized by low ratios of the 6-9 {mu}m features relative to the 11.3 {mu}m feature and weak 8.6 and 17.0 {mu}m features. Interpreting these band ratios in the light of laboratory and theoretical studies, we find that PAHs in the SMC tend to be smaller and less ionized than those in higher metallicity galaxies. Based on studies of PAH destruction, we argue that a size distribution shifted toward smaller PAHs cannot be the result of processing in the interstellar medium, but instead reflects differences in the formation of PAHs at low metallicity. Finally, we discuss the implications of our observations for our understanding of the PAH life-cycle in low-metallicity galaxies-namely that the observed deficit of PAHs may be a consequence of PAHs forming with smaller average sizes and therefore being more susceptible to destruction under typical interstellar medium conditions.

  16. Spectroscopic investigations on the interaction of thioacetamide with ZnO quantum dots and application for its fluorescence sensing

    Science.gov (United States)

    Saha, Dipika; Negi, Devendra P. S.

    2018-01-01

    The purpose of the present work was to develop a method for the sensing of thioacetamide by using spectroscopic techniques. Thioacetamide is a carcinogen and it is important to detect its presence in food-stuffs. Semiconductor quantum dots are frequently employed as sensing probes since their absorption and fluorescence properties are highly sensitive to the interaction with substrates present in the solution. In the present work, the interaction between thioacetamide and ZnO quantum dots has been investigated by using UV-visible, fluorescence and infrared spectroscopy. Besides, dynamic light scattering (DLS) has also been utilized for the interaction studies. UV-visible absorption studies indicated the bonding of the lone pair of sulphur atom of thioacetamide with the surface of the semiconductor. The fluorescence band of the ZnO quantum dots was found to be quenched in the presence of micromolar concentrations of thioacetamide. The quenching was found to follow the Stern-Volmer relationship. The Stern-Volmer constant was evaluated to be 1.20 × 105 M- 1. Infrared spectroscopic measurements indicated the participation of the sbnd NH2 group and the sulphur atom of thioacetamide in bonding with the surface of the ZnO quantum dots. DLS measurements indicated that the surface charge of the semiconductor was shielded by the thioacetamide molecules.

  17. SPECTROSCOPIC EVIDENCE FOR SN 2010ma ASSOCIATED WITH GRB 101219B

    International Nuclear Information System (INIS)

    Sparre, M.; Fynbo, J. P. U.; Malesani, D.; De Ugarte Postigo, A.; Hjorth, J.; Leloudas, G.; Milvang-Jensen, B.; Watson, D. J.; Sollerman, J.; Goldoni, P.; Covino, S.; Tagliaferri, G.; D'Elia, V.; Flores, H.; Hammer, F.; Jakobsson, P.; Schulze, S.; Kaper, L.; Levan, A. J.; Tanvir, N. R.

    2011-01-01

    We report on the spectroscopic detection of supernova SN 2010ma associated with the long gamma-ray burst GRB 101219B. We observed the optical counterpart of the GRB on three nights with the X-shooter spectrograph at the Very Large Telescope. From weak absorption lines, we measure a redshift of z = 0.55. The first-epoch UV-near-infrared afterglow spectrum, taken 11.6 hr after the burst, is well fit by a power law consistent with the slope of the X-ray spectrum. The second- and third-epoch spectra (obtained 16.4 and 36.7 days after the burst), however, display clear bumps closely resembling those of the broad-lined type-Ic SN 1998bw if placed at z = 0.55. Apart from demonstrating that spectroscopic SN signatures can be observed for GRBs at these large distances, our discovery makes a step forward in establishing a general connection between GRBs and SNe. In fact, unlike most previous unambiguous GRB-associated SNe, GRB 101219B has a large gamma-ray energy (E iso = 4.2 x 10 51 erg), a bright afterglow, and obeys the 'Amati' relation, thus being fully consistent with the cosmological population of GRBs.

  18. Proposal of AAA-battery-size one-shot ATR Fourier spectroscopic imager for on-site analysis: Simultaneous measurement of multi-components with high accuracy

    Science.gov (United States)

    Hosono, Satsuki; Qi, Wei; Sato, Shun; Suzuki, Yo; Fujiwara, Masaru; Hiramatsu, Hiroyuki; Suzuki, Satoru; Abeygunawardhana, P. K. W.; Wada, Kenji; Nishiyama, Akira; Ishimaru, Ichiro

    2015-03-01

    For simultaneous measurement of multi-components on-site like factories, the ultra-compact (diameter: 9[mm], length: 45[mm], weight: 200[g]) one-shot ATR (Attenuated Total Reflection) Fourier spectroscopic imager was proposed. Because the proposed one-shot Fourier spectroscopic imaging is based on spatial-phase-shift interferometer, interferograms could be obtained with simple optical configurations. We introduced the transmission-type relativeinclined phase-shifter, that was constructed with a cuboid prism and a wedge prism, onto the optical Fourier transform plane of infinity corrected optical systems. And also, small light-sources and cameras in the mid-infrared light region, whose size are several millimeter on a side, are essential components for the ultra-compact spectroscopic configuration. We selected the Graphite light source (light source area: 1.7×1.7[mm], maker: Hawkeye technologies) whose radiation factor was high. Fortunately, in these days we could apply the cost-effective 2-dimensional light receiving device for smartphone (e.g. product name: LEPTON, maker: FLIR, price: around 400USD). In the case of alcoholic drinks factory, conventionally workers measure glucose and ethanol concentrations by bringing liquid solution back to laboratories every day. The high portable spectroscopy will make it possible to measure multi-components simultaneously on manufacturing scene. But we found experimentally that absorption spectrum of glucose and water and ethanol were overlapped each other in near infrared light region. But for mid-infrared light region, we could distinguish specific absorption peaks of glucose (@10.5[μm]) and ethanol (@11.5[μm]) independently from water absorption. We obtained standard curve between absorption (@9.6[μm]) and ethanol concentration with high correlation coefficient 0.98 successfully by ATR imaging-type 2-dimensional Fourier spectroscopy (wavelength resolution: 0.057[μm]) with the graphite light source (maker: Hawkeye

  19. Molecular structure, chemical reactivity, nonlinear optical activity and vibrational spectroscopic studies on 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one: A combined density functional theory and experimental approach

    Science.gov (United States)

    Pegu, David; Deb, Jyotirmoy; Saha, Sandip Kumar; Paul, Manoj Kumar; Sarkar, Utpal

    2018-05-01

    In this work, we have synthesized new coumarin Schiff base molecule, viz., 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one and characterized its structural, electronic and spectroscopic properties experimentally and theoretically. The theoretical analysis of UV-visible absorption spectra reflects a red shift in the absorption maximum in comparison to the experimental results. Most of the vibrational assignments of infrared and Raman spectra predicted using density functional theory approach match well with the experimental findings. Further, the chemical reactivity analysis confirms that solvent highly affects the reactivity of the studied compound. The large hyperpolarizability value of the compound concludes that the system exhibits significant nonlinear optical features and thus, points out their possibility in designing material with high nonlinear activity.

  20. Spectroscopic Characterization of GEO Satellites with Gunma LOW Resolution Spectrograph

    Science.gov (United States)

    Endo, T.; Ono, H.; Hosokawa, M.; Ando, T.; Takanezawa, T.; Hashimoto, O.

    The spectroscopic observation is potentially a powerful tool for understanding the Geostationary Earth Orbit (GEO) objects. We present here the results of an investigation of energy spectra of GEO satellites obtained from a groundbased optical telescope. The spectroscopic observations were made from April to June 2016 with the Gunma LOW resolution Spectrograph and imager (GLOWS) at the Gunma Astronomical Observatory (GAO) in JAPAN. The observation targets consist of eleven different satellites: two weather satellites, four communications satellites, and five broadcasting satellites. All the spectra of those GEO satellites are inferred to be solar-like. A number of well-known absorption features such as H-alpha, H-beta, Na-D,water vapor and oxygen molecules are clearly seen in thewavelength range of 4,000 - 8,000 Å. For comparison, we calculated the intensity ratio of the spectra of GEO satellites to that of the Moon which is the natural satellite of the earth. As a result, the following characteristics were obtained. 1) Some variations are seen in the strength of absorption features of water vapor and oxygen originated by the telluric atmosphere, but any other characteristic absorption features were not found. 2) For all observed satellites, the intensity ratio of the spectrum of GEO satellites decrease as a function of wavelength or to be flat. It means that the spectral reflectance of satellite materials is bluer than that of the Moon. 3) A characteristic dip at around 4,800 Å is found in all observed spectra of a weather satellite. Based on these observations, it is indicated that the characteristics of the spectrum are mainly derived from the solar panels because the apparent area of the solar cell is probably larger than that of the satellite body.

  1. Crystal growth and spectroscopic characterization of Yb3+:LiTaO3

    International Nuclear Information System (INIS)

    Gruber, John B.; Allik, Toomas H.; Sardar, Dhiraj K.; Yow, Raylon M.; Scripsick, Michael; Wechsler, Barry

    2006-01-01

    Spectroscopic properties are presented for Yb 3+ incorporated into single crystals of LiTaO 3 grown by the top-seeded solution growth method. From an analysis of the absorption and fluorescence spectra, we are able to determine the Stark-level components of the 2 F 7/2 (the ground-state multiplet manifold) and the 2 F 5/2 (the excited-state multiplet manifold of Yb 3+ (4f 13 )). The room-temperature fluorescence lifetime of 2 F 5/2 is 678μs as measured on a thin sample to reduce possibilities for reabsorption. Spectral comparisons of Yb 3+ -doped LiTaO 3 and LiNbO 3 are drawn. The crystal-field splitting of Yb 3+ (4f 13 ) in both crystal hosts is modeled using a set of crystal-field splitting parameters, B nm , determined from a recent spectroscopic analysis of Er 3+ (4f 11 ) in LiNbO 3 . Without adjustment of the B nm parameters, the model predicts the Stark-level energy and the symmetry label for each level in reasonable agreement with the experimental values. Less photorefractive than its niobate cousin, LiTaO 3 has potential for use in numerous integrated electro-optical circuits and devices

  2. 7th Czechoslovak spectroscopic conference and VIIIth CANAS (Conference on analytical atomic spectroscopy). Abstracts. Vol. 2

    International Nuclear Information System (INIS)

    1984-01-01

    The conference on spectroscopy held in Ceske Budejovice on June 18-22, 1984, proceeded in three sessions: atomic spectroscopy, molecular spectroscopy and special spectroscopic techniques. In the molecular spectroscopy session, 81 papers were read of which 12 were inputted in INIS. The subject of inputted papers was the use of NMR for the analysis of organic compounds and for the study of radiation defects in semiconductors, and the use of infrared spectroscopy for the analysis of nuclear and irradiated materials. (J.P.)

  3. Spectroscopic evidence for intermediate species formed during aniline polymerization and polyaniline degradation.

    Science.gov (United States)

    Planes, G A; Rodríguez, J L; Miras, M C; García, G; Pastor, E; Barbero, C A

    2010-09-21

    Spectroscopic methods are used to investigate the formation of low molecular mass intermediates during aniline (ANI) oxidation and polyaniline (PANI) degradation. Studying ANI anodic oxidation by in situ Fourier transform infrared spectroscopy (FTIRS) it is possible to obtain, for the first time, spectroscopic evidence for ANI dimers produced by head-to-tail (4-aminodiphenylamine, 4ADA) and tail-to-tail (benzidine, BZ) coupling of ANI cation radicals. The 4ADA dimer is adsorbed on the electrode surface during polymerization, as proved by cyclic voltammetry of thin PANI films and its infrared spectrum. This method also allows, with the help of computational simulations, to assign characteristic vibration frequencies for the different oxidation states of PANI. The presence of 4ADA retained inside thin polymer layers is established too. On the other hand, FTIRS demonstrates that the electrochemically promoted degradation of PANI renders p-benzoquinone as its main product. This compound, retained inside the film, is apparent in the cyclic voltammogram in the same potential region previously observed for 4ADA dimer. Therefore, applying in situ FTIRS is possible to distinguish between different chemical species (4ADA or p-benzoquinone) which give rise to voltammetric peaks in the same potential region. Indophenol and CO(2) are also detected by FTIRS during ANI oxidation and polymer degradation. The formation of CO(2) during degradation is confirmed by differential electrochemical mass spectroscopy. To the best of our knowledge, this is the first evidence of the oxidation of a conducting polymer to CO(2) by electrochemical means. The relevance of the production of different intermediate species towards PANI fabrication and applications is discussed.

  4. [Study on spectroscopic characterization and property of PES/ micro-nano cellulose composite membrane material].

    Science.gov (United States)

    Tang, Huan-Wei; Zhang, Li-Ping; Li, Shuai; Zhao, Guang-Jie; Qin, Zhu; Sun, Su-Qin

    2010-03-01

    In the present paper, the functional groups of PES/micro-nano cellulose composite membrane materials were characterized by Fourier transform infrared spectroscopy (FTIR). Also, changes in crystallinity in composite membrane materials were analyzed using X-ray diffraction (XRD). The effects of micro-nano cellulose content on hydrophilic property of composite membrane material were studied by measuring hydrophilic angle. The images of support layer structure of pure PES membrane material and composite membrane material were showed with scanning electron microscope (SEM). These results indicated that in the infrared spectrogram, the composite membrane material had characteristic peaks of both PES and micro-nano cellulose without appearance of other new characteristics peaks. It revealed that there were no new functional groups in the composite membrane material, and the level of molecular compatibility was achieved, which was based on the existence of inter-molecular hydrogen bond association between PES and micro-nano cellulose. Due to the existence of micro-nano cellulose, the crystallinity of composite membrane material was increased from 37.7% to 47.9%. The more the increase in micro-nano cellulose mass fraction, the better the van de Waal force and hydrogen bond force between composite membrane material and water were enhanced. The hydrophilic angle of composite membrane material was decreased from 55.8 degrees to 45.8 degrees and the surface energy was raised from 113.7 to 123.5 mN x m(-2). Consequently, the hydrophilic property of composite membrane material was improved. The number of pores in the support layer of composite membrane material was lager than that of pure PES membrane. Apparently, pores were more uniformly distributed.

  5. Imaging spectroscopic analysis at the Advanced Light Source

    International Nuclear Information System (INIS)

    MacDowell, A. A.; Warwick, T.; Anders, S.; Lamble, G.M.; Martin, M.C.; McKinney, W.R.; Padmore, H.A.

    1999-01-01

    One of the major advances at the high brightness third generation synchrotrons is the dramatic improvement of imaging capability. There is a large multi-disciplinary effort underway at the ALS to develop imaging X-ray, UV and Infra-red spectroscopic analysis on a spatial scale from. a few microns to 10nm. These developments make use of light that varies in energy from 6meV to 15KeV. Imaging and spectroscopy are finding applications in surface science, bulk materials analysis, semiconductor structures, particulate contaminants, magnetic thin films, biology and environmental science. This article is an overview and status report from the developers of some of these techniques at the ALS. The following table lists all the currently available microscopes at the. ALS. This article will describe some of the microscopes and some of the early applications

  6. Fourier transform infrared studies in solid egg white lysozyme

    International Nuclear Information System (INIS)

    Rivzi, T.Z.

    1994-12-01

    Fourier Transform Infrared (FTIR) Spectroscopy is the most recent addition to the arsenal of bioanalytical techniques capable of providing information about the secondary structure of proteins in a variety of environments. FTIR spectra have been obtained in solid egg white lysozyme. The spectra display the usual amide I, II and III bands. Secondary structural information obtained from the spectra after applying resolution enhancement techniques to the amide I band has been found consistent with the x-ray crystallographic data of the protein and also to the spectroscopic data of the protein in aqueous solution. (author). 17 refs, 6 figs, 2 tabs

  7. Overview of ultraviolet and infrared spectroscopic properties of Yb{sup 3+} doped borate and oxy-borates compounds; De l'ultraviolet a l'infrarouge: caracterisation spectroscopique de materiaux type borate et oxyborate dopes a l'ytterbium trivalent

    Energy Technology Data Exchange (ETDEWEB)

    Sablayrolles, J

    2006-12-15

    The trivalent ytterbium ion can give rise to two emissions with different spectroscopic properties: the first one, with a short lifetime, in the ultraviolet (charge transfer emission) is used in detectors such as scintillators, and the other one, with a long lifetime, in the infrared (4f-4f emission) for laser applications. The strong link between material structure and properties is illustrated through ytterbium luminescence study, in the ultraviolet and infrared, inserted in the borate Li{sub 6}Y(BO{sub 3}){sub 3} and two oxy-borates: LiY{sub 6}O{sub 5}(BO{sub 3}){sub 3} and Y{sub 17,33}B{sub 8}O{sub 38}. For the first time an ytterbium charge transfer emission in oxy-borates has been observed. The calculation of the single configurational coordinate diagram, as well as the thermal quenching, has been conducted under a fundamental approach on the ytterbium - oxygen bond. The study of the ytterbium infrared spectroscopy in these compounds has been realised and an energy level attribution is proposed in the particular case of the borate Li{sub 6}Y(BO{sub 3}){sub 3}: Yb{sup 3+}. An original approach is introduced with the study of the charge transfer states for the three compounds by looking at the infrared emission. The first laser performances in three operating modes (continuous wave, Q-switch and mode locking) of a Li{sub 6}Y(BO{sub 3}){sub 3}: Yb{sup 3+} crystal are reported. (author)

  8. Detecting adulterants in milk with lower cost mid-infrared and Raman spectroscopy

    Science.gov (United States)

    Lee, Changwon; Wang, Wenbo; Wilson, Benjamin K.; Connett, Marie; Keller, Matthew D.

    2018-02-01

    Adulteration of milk for economic gains is a widespread issue throughout the developing world that can have far-reaching health and nutritional impacts. Milk analysis technologies, such as infrared spectroscopy, can screen for adulteration, but the cost of these technologies has prohibited their use in low resource settings. Recent developments in infrared and Raman spectroscopy hardware have led to commercially available low-cost devices. In this work, we evaluated the performance of two such spectrometers in detecting and quantifying the presence of milk adulterants. Five common adulterants - ammonium sulfate, melamine, sodium bicarbonate, sucrose, and urea, were spiked into five different raw cow and goat milk samples at different concentrations. Collected MIR and Raman spectra were analyzed using partial least squares regression. The limit of detection (LOD) for each adulterant was determined to be in the range of 0.04 to 0.28% (400 to 2800 ppm) using MIR spectroscopy. Raman spectroscopy showed similar LOD's for some of the adulterants, notably those with strong amine group signals, and slightly higher LOD's (up to 1.0%) for other molecules. Overall, the LODs were comparable to other spectroscopic milk analyzers on the market, and they were within the economically relevant concentration range of 100 to 4000 ppm. These lower cost spectroscopic devices therefore appear to hold promise for use in low resource settings.

  9. THESIS: terrestrial and habitable zone infrared spectroscopy spacecraft

    Science.gov (United States)

    Vasisht, G.; Swain, M. R.; Akeson, R. L.; Burrows, A.; Deming, D.; Grillmair, C. J.; Greene, T. P.

    2008-07-01

    THESIS is a concept for a medium class mission designed for spectroscopic characterization of extrasolar planets between 2-14 microns. The concept leverages off the recent first-steps made by Spitzer and Hubble in characterizing the atmospheres of alien gas giants. Under favourable circumstances, THESIS is capable of identifying biogenic molecules in habitable-zone planets, thereby determining conditions on worlds where life might exist. By systematically characterizing many worlds, from rocky planets to gas-giants, THESIS would deliver transformational science of profound interest to astronomers and the general public.

  10. Shell model and spectroscopic factors

    International Nuclear Information System (INIS)

    Poves, P.

    2007-01-01

    In these lectures, I introduce the notion of spectroscopic factor in the shell model context. A brief review is given of the present status of the large scale applications of the Interacting Shell Model. The spectroscopic factors and the spectroscopic strength are discussed for nuclei in the vicinity of magic closures and for deformed nuclei. (author)

  11. THE HIGH A{sub V} Quasar Survey: Reddened Quasi-Stellar Objects selected from optical/near-infrared photometry. II

    Energy Technology Data Exchange (ETDEWEB)

    Krogager, J.-K.; Fynbo, J. P. U.; Vestergaard, M. [Dark Cosmology Centre, Niels Bohr Institute, University of Copenhagen, Juliane Maries Vej 30, DK-2100 Copenhagen Ø (Denmark); Geier, S. [Instituto de Astrofísica de Canarias (IAC), E-38205 La Laguna, Tenerife (Spain); Venemans, B. P. [Max-Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany); Ledoux, C. [European Southern Observatory, Alonso de Córdova 3107, Vitacura, Casilla 19001, Santiago 19 (Chile); Møller, P. [European Southern Observatory, Karl-Schwarzschildstrasse 2, D-85748 Garching bei München (Germany); Noterdaeme, P. [Institut d’Astrophysique de Paris, CNRS-UPMC, UMR7095, 98bis bd Arago, F-75014 Paris (France); Kangas, T.; Pursimo, T.; Smirnova, O. [Nordic Optical Telescope, Apartado 474, E-38700 Santa Cruz de La Palma (Spain); Saturni, F. G. [Tuorla Observatory, Department of Physics and Astronomy, University of Turku, Väisäläntie 20, 21500 Piikkiö (Finland)

    2015-03-15

    Quasi-stellar objects (QSOs) whose spectral energy distributions (SEDs) are reddened by dust either in their host galaxies or in intervening absorber galaxies are to a large degree missed by optical color selection criteria like the ones used by the Sloan Digital Sky Survey (SDSS). To overcome this bias against red QSOs, we employ a combined optical and near-infrared (near-IR) color selection. In this paper, we present a spectroscopic follow-up campaign of a sample of red candidate QSOs which were selected from the SDSS and the UKIRT Infrared Deep Sky Survey (UKIDSS). The spectroscopic data and SDSS/UKIDSS photometry are supplemented by mid-infrared photometry from the Wide-field Infrared Survey Explorer. In our sample of 159 candidates, 154 (97%) are confirmed to be QSOs. We use a statistical algorithm to identify sightlines with plausible intervening absorption systems and identify nine such cases assuming dust in the absorber similar to Large Magellanic Cloud sightlines. We find absorption systems toward 30 QSOs, 2 of which are consistent with the best-fit absorber redshift from the statistical modeling. Furthermore, we observe a broad range in SED properties of the QSOs as probed by the rest-frame 2 μm flux. We find QSOs with a strong excess as well as QSOs with a large deficit at rest-frame 2 μm relative to a QSO template. Potential solutions to these discrepancies are discussed. Overall, our study demonstrates the high efficiency of the optical/near-IR selection of red QSOs.

  12. ON THE VIABILITY OF THE PAH MODEL AS AN EXPLANATION OF THE UNIDENTIFIED INFRARED EMISSION FEATURES

    International Nuclear Information System (INIS)

    Zhang, Yong; Kwok, Sun

    2015-01-01

    Polycyclic aromatic hydrocarbon (PAH) molecules are widely considered the preferred candidate for the carrier of the unidentified infrared emission bands observed in the interstellar medium and circumstellar envelopes. In this paper, we report the results of fitting a variety of non-PAH spectra (silicates, hydrogenated amorphous carbon, coal, and even artificial spectra) using the theoretical infrared spectra of PAHs from the NASA Ames PAH IR Spectroscopic Database. We show that these non-PAH spectra can be well fitted by PAH mixtures. This suggests that a general match between astronomical spectra and those of PAH mixtures does not necessarily provide definitive support for the PAH hypothesis

  13. Development of a new diffuse near-infrared food measuring

    Science.gov (United States)

    Zhang, Jun; Piao, Renguan

    2006-11-01

    Industries from agriculture to petrochemistry have found near infrared (NIR) spectroscopic analysis useful for quality control and quantitative analysis of materials and products. The general chemical, polymer chemistry, petrochemistry, agriculture, food and textile industries are currently using NIR spectroscopic methods for analysis. In this study, we developed a new sort NIR instrument for food measuring. The instrument consists of a light source, 12 filters to the prismatic part. The special part is that we use a mirror to get two beams of light. And two PbS detectors were used. One detector collected the radiation of one light beam directly and the value was set as the standard instead the standard white surface. Another light beam irradiate the sample surface, and the diffuse light was collected by another detector. The value of the two detectors was compared and the absorbency was computed. We tested the performance of the NIR instrument in determining the protein and fat content of milk powder. The calibration showed the accuracy of the instrument in practice.

  14. Mid-infrared photoacoustic spectroscopy for atmospheric NO2 measurements

    Science.gov (United States)

    Lassen, Mikael; Lamard, Laurent; Balslev-Harder, David; Peremans, Andre; Petersen, Jan C.

    2018-02-01

    A photoacoustic (PA) sensor for spectroscopic measurements of NO2-N2 at ambient pressure and temperature is demonstrated. The PA sensor is pumped resonantly by a nanosecond pulsed single-mode mid-infrared (MIR) optical parametric oscillator (OPO). Spectroscopic measurements of NO2-N2 in the 3.25 μm to 3.55 μm wavelength region with a resolution bandwidth of 5 cm-1 and with a single shot detection limit of 1.6 ppmV (μmol/mol) is demonstrated. The measurements were conducted with a constant flow rate of 300 ml/min, thus demonstrating the suitability of the gas sensor for real time trace gas measurements. The acquired spectra is compared with data from the Hitran database and good agreement is found. An Allan deviation analysis shows that the detection limit at optimum integration time for the PAS sensor is 14 ppbV (nmol/mol) at 170 seconds of integration time, corresponding to a normalized noise equivalent absorption (NNEA) coefficient of 3.3×10-7 W cm-1 Hz-1/2.

  15. Multi-spectroscopic studies on the interaction of human serum albumin with astilbin: Binding characteristics and structural analysis

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jin; Li, Shuang; Peng, Xialian; Yu, Qing [Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources, Department Chemistry and Chemical Engineering, Guangxi Normal University, Ministry of Education of China, Guilin 541004 (China); Bian, Hedong, E-mail: gxnuchem312@yahoo.com.cn [Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources, Department Chemistry and Chemical Engineering, Guangxi Normal University, Ministry of Education of China, Guilin 541004 (China); Huang, Fuping [Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources, Department Chemistry and Chemical Engineering, Guangxi Normal University, Ministry of Education of China, Guilin 541004 (China); Liang, Hong, E-mail: lianghongby@yahoo.com.cn [Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources, Department Chemistry and Chemical Engineering, Guangxi Normal University, Ministry of Education of China, Guilin 541004 (China)

    2013-04-15

    Five spectroscopic techniques were used to investigate the interaction of astilbin (ASN) with human serum albumin (HSA). UV–vis absorption measurements prove that ASN–HSA complex can be formed. The analysis of fluorescence spectra reveal that in the presence of ASN, quenching mechanism of HSA is considered as static quenching. The quenching rate constant k{sub q}, K{sub SV} and the binding constant K were estimated. According to the van't Hoff equation, the thermodynamic parameters enthalpy change (ΔΗ) and entropy change (ΔS) were calculated to be −12.94 kJ mol{sup −1} and 35.92 J mol{sup −1} K{sup −1}, respectively. These indicate that the hydrophobic interaction is the major forces between ASN and HSA, but the hydrogen bond interaction cannot be excluded. The changes in the secondary structure of HSA which was induced by ASN were determined by circular dichroism (CD), Fourier transform infrared spectroscopy (FT-IR) and Raman spectroscopy. -- Graphical abstract: In this paper, the interaction of HSA with ASN was systematically studied under simulated physiological conditions by using UV–vis absorption, CD, FT-IR, fluorescence and Raman spectroscopic approaches. The quenching constant k{sub q}, K{sub SV} and the binding constant K were estimated. The changes in the secondary structure of HSA were studied by Circular dichroism (CD), Fourier transform infrared spectroscopy (FT-IR) and Raman spectroscopy. The UV–visible absorption spectra of HSA in the absence and presence of different concentration of ASN (1) and fluorescence spectra of HSA in the absence and the presence of ASN (2). Highlights: ► Interaction of ASN and HSA has been studied by five spectroscopic techniques. ► Hydrophobic interaction is the major forces between ASN and HSA. ► Binding of ASN induced the changes in the secondary structure of HSA.

  16. Instant detection and identification of concealed explosive-related compounds: Induced Stokes Raman versus infrared.

    Science.gov (United States)

    Elbasuney, Sherif; El-Sherif, Ashraf F

    2017-01-01

    The instant detection of explosives and explosive-related compounds has become an urgent priority in recent years for homeland security and counter-terrorism applications. Modern techniques should offer enhancement in selectivity, sensitivity, and standoff distances. Miniaturisation, portability, and field-ruggedisation are crucial requirements. This study reports on instant and standoff identification of concealed explosive-related compounds using customized Raman technique. Stokes Raman spectra of common explosive-related compounds were generated and spectrally resolved to create characteristic finger print spectra. The scattered Raman emissions over the band 400:2000cm -1 were compared to infrared absorption using FTIR. It has been demonstrated that the two vibrational spectroscopic techniques were opposite and completing each other. Molecular vibrations with strong absorption in infrared (those involve strong change in dipole moments) induced weak signals in Raman and vice versa. The tailored Raman offered instant detection, high sensitivity, and standoff detection capabilities. Raman demonstrated characteristic fingerprint spectra with stable baseline and sharp intense peaks. Complete correlations of absorption/scattered signals to certain molecular vibrations were conducted to generate an entire spectroscopic profile of explosive-related compounds. This manuscript shades the light on Raman as one of the prevailing technologies for instantaneous detection of explosive-related compounds. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  17. Emission characteristics of the Yb3+-sensitized Tm3+-doped optical fiber upon pumping with infrared LED

    International Nuclear Information System (INIS)

    Htein, Lin; Fan, Weiwei; Han, Won-Taek

    2014-01-01

    Near infrared emissions at 975, 1040 and 1450 nm of the Yb 3+ -sensitized Tm 3+ -doped optical fiber were obtained upon simultaneous excitation of Yb 3+ and Tm 3+ ions using the infrared LED. -- Highlights: • A novel pumping scheme for 1450 nm emission from 3 H 4 → 3 F 4 transition of Tm was demonstrated. • The absorption bands of Yb and Tm located within 690–970 nm were simultaneously excited with the IR LED. • Near infrared emissions at 975, 1040 and 1450 nm were obtained. • The Yb 3+ /Tm 3+ -codoped fiber showed the good spectroscopic quality and the increase of radiative lifetime of 3 H 4 level. • This LED pumping scheme can be useful for low-cost S-band fiber laser/amplifier applications

  18. Synthesis and Characterization of ZnO Nanoparticles Using Sol-gel Process

    Directory of Open Access Journals (Sweden)

    Jayasree ALURI

    2016-05-01

    Full Text Available In the Present work structural, morphological and compositional properties of ZnO nanopowders synthesized using Zinc nitrate and NaOH using sol-gel process were reported. The synthesized nanopowders were further analyzed using X-Ray Diffraction (XRD, Scanning electron microscopy (SEM and Fourier Transform Infrared (FTIR spectroscopic characterizations. Crystalline size and Lattice strain determined from XRD spectra. Morphology of Nanopowders viewed from SEM images observed at different magnifications. The presence of Functional groups analyzed from FTIR spectra. From the results it was very clear that particles synthesized using Zinc nitrate and NaOH plays a vital role on crystalline size, surface morphology of Nanopowders. Synthesized nanopowders can be utilized as building materials in fabrication of various optoelectronic devices including solar cells, LED’s etc. due to its significant structural, morphological and optical properties.

  19. Zinc Phthalocyanine Labelled Polyethylene Glycol: Preparation, Characterization, Interaction with Bovine Serum Albumin and Near Infrared Fluorescence Imaging in Vivo

    Directory of Open Access Journals (Sweden)

    Tianjun Liu

    2012-05-01

    Full Text Available Zinc phthalocyanine labelled polyethylene glycol was prepared to track and monitor the in vivo fate of polyethylene glycol. The chemical structures were characterized by nuclear magnetic resonance and infrared spectroscopy. Their light stability and fluorescence quantum yield were evaluated by UV-Visible and fluorescence spectroscopy methods. The interaction of zinc phthalocyanine labelled polyethylene glycol with bovine serum albumin was evaluated by fluorescence titration and isothermal titration calorimetry methods. Optical imaging in vivo, organ aggregation as well as distribution of fluorescence experiments for tracking polyethylene glycol were performed with zinc phthalocyanine labelled polyethylene glycol as fluorescent agent. Results show that zinc phthalocyanine labelled polyethylene glycol has good optical stability and high emission ability in the near infrared region. Imaging results demonstrate that zinc phthalocyanine labelled polyethylene glycol can track and monitor the in vivo process by near infrared fluorescence imaging, which implies its potential in biomaterials evaluation in vivo by a real-time noninvasive method.

  20. Near infrared spectroscopic evaluation of water in hyaline cartilage.

    Science.gov (United States)

    Padalkar, M V; Spencer, R G; Pleshko, N

    2013-11-01

    In diseased conditions of cartilage such as osteoarthritis, there is typically an increase in water content from the average normal of 60-85% to greater than 90%. As cartilage has very little capability for self-repair, methods of early detection of degeneration are required, and assessment of water could prove to be a useful diagnostic method. Current assessment methods are either destructive, time consuming, or have limited sensitivity. Here, we investigated the hypotheses that non-destructive near infrared spectroscopy (NIRS) of articular cartilage can be used to differentiate between free and bound water, and to quantitatively assess water content. The absorbances centered at 5200 and 6890 cm(-1) were attributed to a combination of free and bound water, and to free water only, respectively. The integrated areas of both absorbance bands were found to correlate linearly with the absolute water content (R = 0.87 and 0.86) and with percent water content (R = 0.97 and 0.96) of the tissue. Partial least square models were also successfully developed and were used to predict water content, and percent free water. These data demonstrate that NIRS can be utilized to quantitatively determine water content in articular cartilage, and may aid in early detection of degenerative tissue changes in a laboratory setting, and with additional validations, possibly in a clinical setting.

  1. Infrared spectroscopic studies of rotational isomerism in salicylaldehyde and its derivatives

    International Nuclear Information System (INIS)

    Al-Dbaj, M.

    1984-01-01

    Infrared spectra of salicyladehyde,methyl salicylate,and ethyl-salicylate have been recorded in the solid,liquid,and vapour phases.It has been found that some of the absorption bands are increasing in intensity upon moving from the solid,liquid to the vapour phase.Some other bands are found to decrease in the same direction.The important parts of their work is that concerning the thermal measurements.It was carried out by selecting couples of absorption bands for each compound known to belong to individual isomers.Then they have been recorded at different temperatures in every phase.Enthalpy differences between these two isomers were calculated in every phase for each compound.This study many be considered as a good method for the identification of isomers.(32 tabs., 39 figs., 74 refs.)

  2. An integrated spectroscopic approach for the non-invasive study of modern art materials and techniques

    Science.gov (United States)

    Rosi, F.; Miliani, C.; Clementi, C.; Kahrim, K.; Presciutti, F.; Vagnini, M.; Manuali, V.; Daveri, A.; Cartechini, L.; Brunetti, B. G.; Sgamellotti, A.

    2010-09-01

    A non-invasive study has been carried out on 18 paintings by Alberto Burri (1915-1995), one of Italy’s most important contemporary painters. The study aims to demonstrate the appropriate and suitable use of portable non-invasive instrumentation for the characterization of materials and techniques found in works dating from 1948 to 1975 belonging to the Albizzini Collection. Sampling of any kind has been forbidden, in order to maintain the integrity of the paintings. Furthermore, the material heterogeneity of each single artwork could potentially result in a poorly representative sampling campaign. Therefore, a non-invasive and in situ analytical approach has been deemed mandatory, notwithstanding the complexity of modern materials and challenging data interpretation. It is the non-invasive nature of the study that has allowed for the acquisition of vast spectral data (a total of about 650 spectra including XRF, mid and near FTIR, micro-Raman and UV-vis absorption and emission spectroscopies). In order to better handle and to extrapolate the most meaningful information from these data, a statistical multivariate analysis, namely principal component analysis (PCA), has been applied to the spectral results. In particular, the possibility of combining elemental and molecular information has been explored by uniting XRF and infrared spectra in one PCA dataset. The combination of complementary spectroscopic techniques has allowed for the characterization of both inorganic and organic pigments, extenders, fillers, and binders employed by Alberto Burri.

  3. Thermal analysis and vibrational spectroscopic characterization of the boro silicate mineral datolite - CaBSiO4(OH)

    Science.gov (United States)

    Frost, Ray L.; Xi, Yunfei; Scholz, Ricardo; Lima, Rosa Malena Fernandes; Horta, Laura Frota Campos; Lopez, Andres

    2013-11-01

    The objective of this work is to determine the thermal stability and vibrational spectra of datolite CaBSiO4(OH) and relate these properties to the structure of the mineral. The thermal analysis of datolite shows a mass loss of 5.83% over a 700-775 °C temperature range. This mass loss corresponds to 1 water (H2O) molecules pfu. A quantitative chemical analysis using electron probe was undertaken. The Raman spectrum of datolite is characterized by bands at 917 and 1077 cm-1 assigned to the symmetric stretching modes of BO and SiO tetrahedra. A very intense Raman band is observed at 3498 cm-1 assigned to the stretching vibration of the OH units in the structure of datolite. BOH out-of-plane vibrations are characterized by the infrared band at 782 cm-1. The vibrational spectra are based upon the structure of datolite based on sheets of four- and eight-membered rings of alternating SiO4 and BO3(OH) tetrahedra with the sheets bonded together by calcium atoms.

  4. Spectroscopic and electrochemical study of polynuclear clusters from ruthenium acetate

    International Nuclear Information System (INIS)

    Cipriano, C.

    1989-01-01

    The chemistry of the trinuclear clusters [Ru sub(3) O (CH sub(3) CO sub(2)) sub(4) L sub(3)] where L = imidazole, pyridine or pyrazine type of ligands, was investigated based on spectroscopic and electrochemical techniques. These complexes are of great interest from the point of view of their electronic and redox properties, providing multisite species for electron transfer processes. They were isolated in solid state, and characterized by means of elementary analyses and infrared spectra. The electrochemical behaviour in acetonitrile solution was typically reversible; the cyclic voltammograms exhibited a series of four or five mono electronic waves ascribed to the sucessive Ru sup(IV) Ru sup(III) Ru sup(III) / Ru sup(III) Ru sup(III) Ru sup(III)/ --- Ru sup(II) Ru sup(II) Ru sup(II) redox couples. The differences between the successive redox potentials were about 1 V, indicating strong metal-metal interaction in the trinuclear Ru sub(3) centre. The E values were strongly sensitive to the nature of the N-heterocyclic ligand, increasing with the pi-acceptor properties of the pyridine and pyrazine derivatives, but in a much less pronounced way in the case of the imidazole derivatives. Resonance Raman studies for the pyrazine cluster showed selective intensification of the vibrational modes of the Ru-pyrazine chromophore, and the trinuclear centre, using excitation wavelengths coinciding with the metal-to-pyrazine and metal-metal bands, respectively. (author)

  5. Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection

    Science.gov (United States)

    Melli, Alessio; Melosso, Mattia; Tasinato, Nicola; Bosi, Giulio; Spada, Lorenzo; Bloino, Julien; Mendolicchio, Marco; Dore, Luca; Barone, Vincenzo; Puzzarini, Cristina

    2018-03-01

    Ethanimine, a possible precursor of amino acids, is considered an important prebiotic molecule and thus may play important roles in the formation of biological building blocks in the interstellar medium. In addition, its identification in Titan’s atmosphere would be important for understanding the abiotic synthesis of organic species. An accurate computational characterization of the molecular structure, energetics, and spectroscopic properties of the E and Z isomers of ethanimine, CH3CHNH, has been carried out by means of a composite scheme based on coupled-cluster techniques, which also account for extrapolation to the complete basis-set limit and core-valence correlation correction, combined with density functional theory for the treatment of vibrational anharmonic effects. By combining the computational results with new millimeter-wave measurements up to 300 GHz, the rotational spectrum of both isomers can be accurately predicted up to 500 GHz. Furthermore, our computations allowed us to revise the infrared spectrum of both E- and Z-CH3CHNH, thus predicting all fundamental bands with high accuracy.

  6. Raman and IR spectroscopic structural characterization of LiAlO2 powders prepared using a liquid mix technique

    International Nuclear Information System (INIS)

    Cornilsen, B.C.; Loyselle, P.L.; Saporta, J.D.

    1990-01-01

    γ-LiAlO 2 and β-LiAlO 2 have been characterized using Raman and infrared spectroscopy. Powders have been prepared using two different preparation techniques: a solution method known as the liquid mix technique (LMT) and the traditional ceramic method. The authors find that the LMT allows direct production of single phase γ-LiAlO 2 at 600 degrees C, below that found using other preparation methods. Furthermore, this solution technique appears to avoid formation of the β-LiAlO 2 intermediate phase. At lower temperatures, the LMT product is a disordered precursor of γ- LiAlO 2

  7. (2E,2′E-3-(4-{[4-(4-Hydroxy-3-methoxyphenylbut-2-en-1-yl]oxy}phenyl-1-(2-hydroxy-4-methoxyphenylprop-2-en-1-one

    Directory of Open Access Journals (Sweden)

    Muhamad S. Fareza

    2016-12-01

    Full Text Available A hybrid of eugenol and a chalcone has been synthesized in good yield via cross olefin metathesis. The title compound (3 was characterized by spectroscopic data including NMR, infrared, and ESI-MS.

  8. Study of interaction of butyl p-hydroxybenzoate with human serum albumin by molecular modeling and multi-spectroscopic method

    Energy Technology Data Exchange (ETDEWEB)

    Wang Qin, E-mail: wqing07@lzu.c [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Zhang Yaheng, E-mail: zhangyah04@lzu.c [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Sun Huijun, E-mail: sun.hui.jun-04@163.co [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Chen Hongli, E-mail: hlchen@lzu.edu.c [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Chen Xingguo, E-mail: chenxg@lzu.edu.c [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China)

    2011-02-15

    Study of the interaction between butyl p-hydroxybenzoate (butoben) and human serum albumin (HSA) has been performed by molecular modeling and multi-spectroscopic method. The interaction mechanism was predicted through molecular modeling first, then the binding parameters were confirmed using a series of spectroscopic methods, including fluorescence spectroscopy, UV-visible absorbance spectroscopy, circular dichroism (CD) spectroscopy and Fourier transform infrared (FT-IR) spectroscopy. The thermodynamic parameters of the reaction, standard enthalpy {Delta}H{sup 0} and entropy {Delta}S{sup 0}, have been calculated to be -29.52 kJ mol{sup -1} and -24.23 J mol{sup -1} K{sup -1}, respectively, according to the Van't Hoff equation, which suggests the van der Waals force and hydrogen bonds are the predominant intermolecular forces in stabilizing the butoben-HSA complex. Results obtained by spectroscopic methods are consistent with that of the molecular modeling study. In addition, alteration of secondary structure of HSA in the presence of butoben was evaluated using the data obtained from UV-visible absorbance, CD and FT-IR spectroscopies. - Research highlights: The interaction between butyl p-hydroxybenzoate with HSA has been investigated for the first time. Molecular modeling study can provide theoretical direction for experimental design. Multi-spectroscopic method can provide the binding parameters and thermodynamic parameters. These results are important for food safety and human health when using parabens as a preservative.

  9. Massive Young Stellar Objects in the Galactic Center. 1; Spectroscopic Identification from Spitzer/IRS Observations

    Science.gov (United States)

    An, Deokkeun; Ramirez, Solange V.; Sellgren, Kris; Arendt, Richard G.; Boogert, A. C. Adwin; Robitaille, Thomas P.; Schultheis, Mathias; Cotera, Angela S.; Smith, Howard A.; Stolovy, Susan R.

    2011-01-01

    We present results from our spectroscopic study, using the Infrared Spectrograph (IRS) onboard the Spitzer Space Telescope, designed to identify massive young stellar objects (YSOs) in the Galactic Center (GC). Our sample of 107 YSO candidates was selected based on IRAC colors from the high spatial resolution, high sensitivity Spitzer/IRAC images in the Central Molecular Zone (CMZ), which spans the central approximately 300 pc region of the Milky Way Galaxy. We obtained IRS spectra over 5 micron to 35 micron using both high- and low-resolution IRS modules. We spectroscopically identify massive YSOs by the presence of a 15.4 micron shoulder on the absorption profile of 15 micron CO2 ice, suggestive of CO2 ice mixed with CH30H ice on grains. This 15.4 micron shoulder is clearly observed in 16 sources and possibly observed in an additional 19 sources. We show that 9 massive YSOs also reveal molecular gas-phase absorption from C02, C2H2, and/or HCN, which traces warm and dense gas in YSOs. Our results provide the first spectroscopic census of the massive YSO population in the GC. We fit YSO models to the observed spectral energy distributions and find YSO masses of 8 - 23 solar Mass, which generally agree with the masses derived from observed radio continuum emission. We find that about 50% of photometrically identified YSOs are confirmed with our spectroscopic study. This implies a preliminary star formation rate of approximately 0.07 solar mass/yr at the GC.

  10. Influence of earlobe thickness on near infrared spectroscopy

    Science.gov (United States)

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

    2017-03-01

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

  11. Validation and transferability study of a method based on near-infrared hyperspectral imaging for the detection and quantification of ergot bodies in cereals

    NARCIS (Netherlands)

    Vermeulen, Ph.; Fernández - Pierna, J.A.; Egmond, van H.P.; Zegers, J.; Dardenne, P.; Baeten, V.

    2013-01-01

    In recent years, near-infrared (NIR) hyperspectral imaging has proved its suitability for quality and safety control in the cereal sector by allowing spectroscopic images to be collected at single-kernel level, which is of great interest to cereal control laboratories. Contaminants in cereals

  12. THE FAR-INFRARED SPECTROSCOPY OF VERY LARGE NEUTRAL POLYCYCLIC AROMATIC HYDROCARBONS

    International Nuclear Information System (INIS)

    Ricca, Alessandra; Bauschlicher, Charles W.; Mattioda, Andrew L.; Boersma, Christiaan; Allamandola, Louis J.

    2010-01-01

    Here we report the computed far-infrared (FIR) spectra of neutral polycyclic aromatic hydrocarbon (PAH) molecules containing at least 82 carbons up to 130 carbons and with shapes going from compact round and oval-type structures to rectangular and to trapezoidal. The effects of size and shape on the FIR band positions and intensities are discussed. Using FIR data from the NASA Ames PAH IR Spectroscopic Database Version 1.1, we generate synthetic spectra that support the suggestion that the 16.4, 17.4, and 17.8 μm bands arise from PAHs.

  13. Infrared spectroscopy of a Cygnus A - Implications for the obscured active nucleus

    Science.gov (United States)

    Ward, Martin J.; Blanco, Philip R.; Wilson, Andrew S.; Nishida, Minoru

    1991-01-01

    Near-infrared spectroscopic observations of the central regions of the luminous radio galaxy Cygnus A are presented and interpreted in terms of an obscured quasar nucleus. Strong emission is detected in the molecular hydrogen lines 1-0 S(1) and 1-0 S(3), the strengths of which are accounted for through heating by the nuclear hard X-ray source. The large equivalent widths of these molecular hydrogen lines and the near-infrared narrow hydrogen recombination lines suggest that the observed nuclear continuum is strongly attenuated at 2 microns. The observed upper limit to the flux of broad Pa-alpha implies an extinction to the putative broad line regio