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Sample records for absorption spectroscopic techniques

  1. Evaluation of laser absorption spectroscopic techniques for eddy covariance flux measurements of ammonia.

    PubMed

    Whitehead, James D; Twigg, Marsailidh; Famulari, Daniela; Nemitz, Eiko; Sutton, Mark A; Gallagher, Martin W; Fowler, David

    2008-03-15

    An intercomparison was made between eddy covariance flux measurements of ammonia by a quantum cascade laser absorption spectrometer (QCLAS) and a lead-salt tunable diode laser absorption spectrometer (TDLAS). The measurements took place in September 2004 and again in April 2005 over a managed grassland site in Southern Scotland, U.K. These were also compared with a flux estimate derived from an "Ammonia Measurement by ANnular Denuder with online Analysis" (AMANDA), using the aerodynamic gradient method (AGM). The concentration and flux measurements from the QCLAS correlated well with those of the TDLAS and the AGM systems when emissions were high, following slurry application to the field. Both the QCLAS and TDLAS, however, underestimated the flux when compared with the AMANDA system, by 64%. A flux loss of 41% due to chemical reaction of ammonia in the QCLAS (and 37% in the TDLAS) sample tube walls was identified and characterized using laboratory tests but did not fully accountforthis difference. Recognizing these uncertainties, the agreement between the systems was nevertheless very close (R2 = 0.95 between the QCLAS and the TDLAS; R2 = 0.84 between the QCLAS and the AMANDA) demonstrating the suitability of the laser absorption methods for quantifying the temporal dynamics of ammonia fluxes.

  2. Speciation of water soluble iron in size segregated airborne particulate matter using LED based liquid waveguide with a novel dispersive absorption spectroscopic measurement technique.

    PubMed

    Chan, K L; Jiang, S Y N; Ning, Z

    2016-03-31

    In this study, we present the development and evaluation of a dispersive absorption spectroscopic technique for trace level soluble ferrous detection. The technique makes use of the broadband absorption spectra of the ferrous-ferrozine complex with a novel spectral fitting algorithm to determine soluble ferrous concentrations in samples and achieves much improved measurement precision compared to conventional methods. The developed method was evaluated by both model simulations and experimental investigations. The results demonstrated the robustness of the method against the spectral fluctuation, wavelength drift and electronic noise, while achieving excellent linearity (R(2) > 0.999) and low detection limit (0.06 μg L(-1)) for soluble ferrous detection. The developed method was also used for the speciation of soluble iron in size segregated atmospheric aerosols. The measurement was carried out during Spring and Summer in typical urban environment in Hong Kong. The measured total iron concentrations are in good agreement compared to conventional Inductively Coupled Plasma - Optical Emission Spectroscopy (ICP-OES) measurements. Investigation on ambient particulate matter samples shows the size dependent characteristic of iron speciation in the atmosphere with a more active role of fine particles in transforming between ferrous and ferric. The method demonstrated in this study provides a cost and time effective approach for the speciation of iron in ambient aerosols. PMID:26965332

  3. Determination of Two-Photon Absorption Cross-Section of Noble Gases for Calibration of Laser Spectroscopic Techniques

    SciTech Connect

    Rosa, M. I. de la; Perez, C.; Gruetzmacher, K.; Fuentes, L. M.

    2008-10-22

    The objective of our work is to apply two-photon polarization spectroscopy as a new calibration method for the determination of two-photon excitation cross-sections of noble gases, like Xe and Kr, which are commonly used for calibrations of MP-LIF techniques in other laboratories.

  4. Light absorption measurements: new techniques.

    PubMed

    Hänel, G; Busen, R; Hillenbrand, C; Schloss, R

    1982-02-01

    A new radiometer is described which simplifies measurement of the radiation supply of solar wavelengths. Two methods of measuring the radiant energy absorbed by aerosol particles are described: A photometric technique is used for particles collected on filters, and a calorimetric technique is used for in situ measurements. Data collected with the radiometer and the light absorption techniques yield the heating rate of the atmosphere due to light absorption by the particles. Sample measurements show substantial atmospheric temperature increases due to absorption, especially in industrial regions.

  5. Spectroscopic Techniques for Atmospheric Analysis

    SciTech Connect

    Bililign, Solomon

    2009-07-06

    Several analytical and optical techniques for atmospheric analysis are discussed. Environmental constraints for real world applications are mentioned. Special emphasis is given to the cavity ring Down Spectroscopy as a very sensitive method for atmospheric trace gas detection is described.

  6. New Developments of Broadband Cavity Enhanced Spectroscopic Techniques

    NASA Astrophysics Data System (ADS)

    Walsh, A.; Zhao, D.; Linnartz, H.; Ubachs, W.

    2013-06-01

    In recent years, cavity enhanced spectroscopic techniques, such as cavity ring-down spectroscopy (CRDS), cavity enhanced absorption spectroscopy (CEAS), and broadband cavity enhanced absorption spectroscopy (BBCEAS), have been widely employed as ultra-sensitive methods for the measurement of weak absorptions and in the real-time detection of trace species. In this contribution, we introduce two new cavity enhanced spectroscopic concepts: a) Optomechanical shutter modulated BBCEAS, a variant of BBCEAS capable of measuring optical absorption in pulsed systems with typically low duty cycles. In conventional BBCEAS applications, the latter substantially reduces the signal-to-noise ratio (S/N), consequently also reducing the detection sensitivity. To overcome this, we incorporate a fast optomechanical shutter as a time gate, modulating the detection scheme of BBCEAS and increasing the effective duty cycle reaches a value close to unity. This extends the applications of BBCEAS into pulsed samples and also in time-resolved studies. b) Cavity enhanced self-absorption spectroscopy (CESAS), a new spectroscopic concept capable of studying light emitting matter (plasma, flames, combustion samples) simultaneously in absorption and emission. In CESAS, a sample (plasma, flame or combustion source) is located in an optically stable cavity consisting of two high reflectivity mirrors, and here it acts both as light source and absorbing medium. A high detection sensitivity of weak absorption is reached without the need of an external light source, such as a laser or broadband lamp. The performance is illustrated by the first CESAS result on a supersonically expanding hydrocarbon plasma. We expect CESAS to become a generally applicable analytical tool for real time and in situ diagnostics. A. Walsh, D. Zhao, W. Ubachs, H. Linnartz, J. Phys. Chem. A, {dx.doi.org/10.1021/jp310392n}, in press, 2013. A. Walsh, D. Zhao, H. Linnartz Rev. Sci. Instrum. {84}(2), 021608 2013. A. Walsh, D. Zhao

  7. Ultraviolet-Absorption Spectroscopic Biofilm Monitor

    NASA Technical Reports Server (NTRS)

    Micheels, Ronald H.

    2004-01-01

    An ultraviolet-absorption spectrometer system has been developed as a prototype instrument to be used in continuous, real-time monitoring to detect the growth of biofilms. Such monitoring is desirable because biofilms are often harmful. For example, biofilms in potable-water and hydroponic systems act as both sources of pathogenic bacteria that resist biocides and as a mechanism for deterioration (including corrosion) of pipes. Biofilms formed from several types of hazardous bacteria can thrive in both plant-growth solutions and low-nutrient media like distilled water. Biofilms can also form in condensate tanks in air-conditioning systems and in industrial heat exchangers. At present, bacteria in potable-water and plant-growth systems aboard the space shuttle (and previously on the Mir space station) are monitored by culture-plate counting, which entails an incubation period of 24 to 48 hours for each sample. At present, there are no commercially available instruments for continuous monitoring of biofilms in terrestrial or spaceborne settings.

  8. Air pollution monitoring by advanced spectroscopic techniques.

    PubMed

    Hodgeson, J A; McClenny, W A; Hanst, P L

    1973-10-19

    The monitoring requirements related to air pollution are many and varied. The molecules of concern differ greatly in their chemical and physical properties, in the nature of their environment, and in their concentration ranges. Furthermore, the application may have specific requirements such as rapid response time, ultrasensitivity, multipollutant capability, or capability for remote measurements. For these reasons, no single spectroscopic technique appears to offer a panacea for all monitoring needs. Instead we have attempted to demonstrate in the above discussion that, regardless of the difficulty and complexity of the monitoring problems, spectroscopy offers many tools by which such problems may be solved.

  9. Absorption technique for OH measurements and calibration

    NASA Technical Reports Server (NTRS)

    Bakalyar, D. M.; James, J. V.; Wang, C. C.

    1982-01-01

    An absorption technique is described which utilizes a stabilized frequency-doubled tunable dye laser and a long-path White cell with high mirror reflectivities both in the red and UV. In laboratory conditions it has been possible to routinely obtain a detection sensitivity of 3 parts in 1,000,000 over absorption paths less than 1 m in length and a detection sensitivity of approximately 6 parts in 100,000 over an absorption path of the order of 1 km. The latter number corresponds to 3,000,000 OH molecules/cu cm, and therefore the technique should be particularly useful for calibration the fluorescence instrument for OH measurements. However, the presence of atmospheric fluctuations coupled with intensity variation accompanying frequency scanning appears to degrade the detection sensitivity in outdoor ambient conditions, thus making it unlikely that this technique can be employed for direct OH monitoring.

  10. Absorption spectroscopy: technique provides extremely high sensitivity.

    PubMed

    Provencal, R A; Paul, J B; Michael, E; Saykally, R J

    1998-06-01

    Technology associated with cavity ringdown laser absorption spectroscopy is reviewed. The technique is used to study general trace analysis, free radicals in flames and chemical reactors, molecular ions in electrical discharges, biological molecules and water clusters in supersonic jets, and vibrational overtones of stable molecules. Its specific enough to detect about 1-ppm fractional absorption by a gaseous sample in about 10 microseconds. The use of mirrors in ringdown sepctroscopy is explained. Other topics include the generation of pulsed infrared rays and the adaptation of ringdown spectroscopy for use with narrow-bandwidth continuous-wave lasers. PMID:11541906

  11. A Comparison of Galaxy Counting Techniques in Spectroscopically Undersampled Regions

    NASA Astrophysics Data System (ADS)

    Specian, Mike A.; Szalay, Alex S.

    2016-11-01

    Accurate measures of galactic overdensities are invaluable for precision cosmology. Obtaining these measurements is complicated when members of one’s galaxy sample lack radial depths, most commonly derived via spectroscopic redshifts. In this paper, we utilize the Sloan Digital Sky Survey’s Main Galaxy Sample to compare seven methods of counting galaxies in cells when many of those galaxies lack redshifts. These methods fall into three categories: assigning galaxies discrete redshifts, scaling the numbers counted using regions’ spectroscopic completeness properties, and employing probabilistic techniques. We split spectroscopically undersampled regions into three types—those inside the spectroscopic footprint, those outside but adjacent to it, and those distant from it. Through Monte Carlo simulations, we demonstrate that the preferred counting techniques are a function of region type, cell size, and redshift. We conclude by reporting optimal counting strategies under a variety of conditions.

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

    PubMed Central

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

    2015-01-01

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

  13. Breath Analysis Using Laser Spectroscopic Techniques: Breath Biomarkers, Spectral Fingerprints, and Detection Limits

    PubMed Central

    Wang, Chuji; Sahay, Peeyush

    2009-01-01

    Breath analysis, a promising new field of medicine and medical instrumentation, potentially offers noninvasive, real-time, and point-of-care (POC) disease diagnostics and metabolic status monitoring. Numerous breath biomarkers have been detected and quantified so far by using the GC-MS technique. Recent advances in laser spectroscopic techniques and laser sources have driven breath analysis to new heights, moving from laboratory research to commercial reality. Laser spectroscopic detection techniques not only have high-sensitivity and high-selectivity, as equivalently offered by the MS-based techniques, but also have the advantageous features of near real-time response, low instrument costs, and POC function. Of the approximately 35 established breath biomarkers, such as acetone, ammonia, carbon dioxide, ethane, methane, and nitric oxide, 14 species in exhaled human breath have been analyzed by high-sensitivity laser spectroscopic techniques, namely, tunable diode laser absorption spectroscopy (TDLAS), cavity ringdown spectroscopy (CRDS), integrated cavity output spectroscopy (ICOS), cavity enhanced absorption spectroscopy (CEAS), cavity leak-out spectroscopy (CALOS), photoacoustic spectroscopy (PAS), quartz-enhanced photoacoustic spectroscopy (QEPAS), and optical frequency comb cavity-enhanced absorption spectroscopy (OFC-CEAS). Spectral fingerprints of the measured biomarkers span from the UV to the mid-IR spectral regions and the detection limits achieved by the laser techniques range from parts per million to parts per billion levels. Sensors using the laser spectroscopic techniques for a few breath biomarkers, e.g., carbon dioxide, nitric oxide, etc. are commercially available. This review presents an update on the latest developments in laser-based breath analysis. PMID:22408503

  14. Absorption and emission spectroscopic characterisation of 8-amino-riboflavin

    NASA Astrophysics Data System (ADS)

    Tyagi, A.; Zirak, P.; Penzkofer, A.; Mathes, T.; Hegemann, P.; Mack, M.; Ghisla, S.

    2009-10-01

    The flavin dye 8-amino-8-demethyl- D-riboflavin (AF) in the solvents water, DMSO, methanol, and chloroform/DMSO was studied by absorption and fluorescence spectroscopy. The first absorption band is red-shifted compared to riboflavin, and blue-shifted compared to roseoflavin (8-dimethylamino-8-demethyl-D-riboflavin). The fluorescence quantum yield of AF in the studied solvents varies between 20% and 50%. The fluorescence lifetimes were found to be in the 2-5 ns range. AF is well soluble in DMSO, weakly soluble in water and methanol, and practically insoluble in chloroform. The limited solubility causes AF aggregation, which was seen in differences between measured absorption spectra and fluorescence excitation spectra. Light scattering in the dye absorption region is discussed and approximate absorption cross-section spectra are determined from the combined measurement of transmission and fluorescence excitation spectra. The photo-stability of AF was studied by prolonged light exposure. The photo-degradation routes of AF are discussed.

  15. Spectroscopic Measurement Techniques for Aerospace Flows

    NASA Technical Reports Server (NTRS)

    Danehy, Paul M.; Bathel, Brett F.; Johansen, Craig T.; Cutler, Andrew D.; Hurley, Samantha

    2014-01-01

    The conditions that characterize aerospace flows are so varied, that a single diagnostic technique is not sufficient for its measurement. Fluid dynamists use knowledge of similarity to help categorize and focus on different flow conditions. For example, the Reynolds number represents the ratio of inertial to viscous forces in a flow. When the velocity scales, length scales, and gas density are large and the magnitude of the molecular viscosity is low, the Reynolds number becomes large. This corresponds to large scale vehicles (e.g Airbus A380), fast moving objects (e.g. artillery projectiles), vehicles in dense fluids (e.g. submarine in water), or flows with low dynamic viscosity (e.g. skydiver in air). In each of these cases, the inertial forces dominate viscous forces, and unsteady turbulent fluctuations in the flow variables are observed. In contrast, flows with small length scales (e.g. dispersion of micro-particles in a solid rocket nozzle), slow moving objects (e.g. micro aerial vehicles), flows with low density gases (e.g. atmospheric re-entry), or fluids with a large magnitude of viscosity (e.g. engine coolant flow), all have low Reynolds numbers. In these cases, viscous forces become very important and often the flows can be steady and laminar. The Mach number, which is the ratio of the velocity to the speed of sound in the medium, also helps to differentiate types of flows. At very low Mach numbers, acoustic waves travel much faster than the object, and the flow can be assumed to be incompressible (e.g. Cessna 172 aircraft). As the object speed approaches the speed of sound, the gas density can become variable (e.g. flow over wing of Learjet 85). When the object speed is higher than the speed of sound (Ma > 1), the presences of shock waves and other gas dynamic features can become important to the vehicle performance (e.g. SR-71 Blackbird). In the hypersonic flow regime (Ma > 5), large changes in temperature begin to affect flow properties, causing real

  16. Investigation into Spectroscopic Techniques for Thermal Barrier Coating Spall Detection

    NASA Technical Reports Server (NTRS)

    deGroot, Wim; Opila, Beth

    2001-01-01

    Spectroscopic methods are proposed for detection of thermal barrier coating (TBC) spallation from engine hot zone components. These methods include absorption and emission of airborne marker species originally embedded in the TBC bond coat. In this study, candidate marker materials for this application were evaluated. Thermochemical analysis of candidate marker materials combined with additional constraints such as toxicity and uniqueness to engine environment, provided a short list of four potential species: platinum, copper oxide, zinc oxide. and indium. The melting point of indium was considered to be too low for serious consideration. The other three candidate marker materials, platinum, copper oxide, and zinc oxide were placed in a high temperature furnace and emission and absorption properties were measured over a temperature range from 800-1400 C and a spectral range from 250 to 18000 nm. Platinum did not provide the desired response, likely due to the low vapor Pressure of the metallic species and the low absorption of the oxide species. It was also found, however. that platinum caused a broadening of the carbon dioxide absorption at 4300 nm. The nature of this effect is not known. Absorption and emission caused by sodium and potassium impurities in the platinum were found in the platinum tests. Zinc oxide did not provide the desired response, again, most likely due to the low vapor pressure of the metallic species and the low absorption of the oxide species. Copper oxide generated two strongly temperature dependent absorption peaks at 324.8 and 327.4 nm. The melting point of copper oxide was determined to be too low for serious consideration as marker material.

  17. Spectroscopic study of low-temperature hydrogen absorption in palladium

    SciTech Connect

    Ienaga, K. Takata, H.; Onishi, Y.; Inagaki, Y.; Kawae, T.; Tsujii, H.; Kimura, T.

    2015-01-12

    We report real-time detection of hydrogen (H) absorption in metallic palladium (Pd) nano-contacts immersed in liquid H{sub 2} using inelastic electron spectroscopy (IES). After introduction of liquid H{sub 2}, the spectra exhibit the time evolution from the pure Pd to the Pd hydride, indicating that H atoms are absorbed in Pd nano-contacts even at the temperature where the thermal process is not expected. The IES time and bias voltage dependences show that H absorption develops by applying bias voltage 30 ∼ 50 mV, which can be explained by quantum tunneling. The results represent that IES is a powerful method to study the kinetics of high density H on solid surface.

  18. Spectroscopic study of low-temperature hydrogen absorption in palladium

    NASA Astrophysics Data System (ADS)

    Ienaga, K.; Takata, H.; Onishi, Y.; Inagaki, Y.; Tsujii, H.; Kimura, T.; Kawae, T.

    2015-01-01

    We report real-time detection of hydrogen (H) absorption in metallic palladium (Pd) nano-contacts immersed in liquid H2 using inelastic electron spectroscopy (IES). After introduction of liquid H2, the spectra exhibit the time evolution from the pure Pd to the Pd hydride, indicating that H atoms are absorbed in Pd nano-contacts even at the temperature where the thermal process is not expected. The IES time and bias voltage dependences show that H absorption develops by applying bias voltage 30 ˜ 50 mV, which can be explained by quantum tunneling. The results represent that IES is a powerful method to study the kinetics of high density H on solid surface.

  19. 60 Kelvin Absorption Cell for Planetary Spectroscopic Research

    NASA Technical Reports Server (NTRS)

    Chackerian, Charles, Jr.; McGee, James; Gore, Warren I. Y. (Technical Monitor)

    1995-01-01

    We will describe a 30 cm long absorption cell which has been in operation for about two years. The cell is designed for use with sensitive-wide-spectral-coverage Fourier transform spectrometers. A helium compressor refrigerator allows temperatures to be achieved down to about 57 K. Heaters allow above-ambient temperatures as well. A unique vibration isolation system effectively quenches the transfer of vibration of the compressor unit to the spectrometer. An acid-resistant stainless steel liner in the copper body of the call permits the use of corrosive gases.

  20. Optical spectroscopic techniques and instrumentation for atmospheric and space research

    SciTech Connect

    Wang, J.; Hays, P.B.

    1994-12-31

    The objective of this conference was to bring together scientists and engineers involved in atmospheric science, space physics, aeronomy, remote sensing, and optical instrumentation to exchange ideas and discuss recent developments in spectroscopic techniques and instrumentation in atmospheric and space research. There is growing concern about the human environment: the atmosphere, ocean, and space. To address those concerns and understand their changing environment, increasingly complex computer models have been developed with the advent of more powerful computers. Therefore, the validation of those models against direct measurements with advanced techniques and instruments is becoming increasingly more difficult and important. Optical spectroscopic techniques and instrumentation have contributed greatly to the validation of those models and their understanding of the earth`s atmosphere and space environment. Improving techniques and instrumentation is becoming ever more important with more demanding requirements on the accuracy and resolution of atmospheric and space observations. This conference had sessions addressing current techniques and instrumentation from the ultraviolet to the infrared and microwave, and from ground-based facilities to satellite-borne missions. Separate abstracts were prepared for most of the papers in this volume.

  1. Novel absorption detection techniques for capillary electrophoresis

    SciTech Connect

    Xue, Y.

    1994-07-27

    Capillary electrophoresis (CE) has emerged as one of the most versatile separation methods. However, efficient separation is not sufficient unless coupled to adequate detection. The narrow inner diameter (I.D.) of the capillary column raises a big challenge to detection methods. For UV-vis absorption detection, the concentration sensitivity is only at the {mu}M level. Most commercial CE instruments are equipped with incoherent UV-vis lamps. Low-brightness, instability and inefficient coupling of the light source with the capillary limit the further improvement of UV-vis absorption detection in CE. The goals of this research have been to show the utility of laser-based absorption detection. The approaches involve: on-column double-beam laser absorption detection and its application to the detection of small ions and proteins, and absorption detection with the bubble-shaped flow cell.

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

    NASA Astrophysics Data System (ADS)

    Manso, M.; Carvalho, M. L.

    2009-06-01

    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.

  3. Atmospheric trace gases monitoring by UV-vis spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Xie, Pinhua; Li, Ang; Wu, Fengcheng; Qin, Min; Hu, Rezhi; Xu, Jin; Si, Fuqi; Liu, Jianguo; Liu, Wenqing

    2016-04-01

    Due to rapidly economic development, air pollution has become an important issue in China. Phenomena such as regional haze in winter and high O3 concentration in summer are strongly related to increasing trace species. For better understanding the air pollution formation, it is necessary to know spatial and temporal distribution of trace species in the atmosphere. UV-vis spectroscopic techniques are of great advantages for trace species monitoring to meet several requirements, e.g. versatility, high sensitivity, good temporal resolution and field applicability. We have studied and developed various trace gases monitoring techniques and instruments based on UV-vis spectroscopic technique for in-situ measurements and remote sensing, e.g. LP-DOAS, IBBCEAS, CRDS, MAX-DOAS and mobile DOAS for NO2, SO2, HCHO, HONO, NO3, and N2O5 etc. The principle, instrumentation and inversion algorithm are presented. As typical applications of these techniques, investigation of the evolution of HONO and NO3 radicals over Beijing area, measurements of regional pollution in NCP and YRD are discussed in the aspects of HONO and nocturnal NO3 radical characteristics, trace gases (NO2, SO2 etc.) temporal and spatial distribution, pollution transport pathway, emission sources.

  4. Confocal Light Absorption and Scattering Spectroscopic (CLASS) imaging: From cancer detection to sub-cellular function

    NASA Astrophysics Data System (ADS)

    Qiu, Le

    Light scattering spectroscopy (LSS), an optical technique that relates the spectroscopic properties of light elastically scattered by small particles to their size, refractive index and shape, has been recently successfully employed for sensing morphological and biochemical properties of epithelial tissues and cells in vivo. LSS does not require exogenous markers, is non-invasive, and, due to its multispectral nature, can sense biological structures well beyond the diffraction limit. All that makes LSS be a very good candidate to be used both in clinical medicine for in vivo detection of disease and in cell biology to monitor cell function on the organelle scale. Recently we developed two LSS-based imaging modalities: clinical Polarized LSS (PLSS) Endoscopic Technique for locating early pre-cancerous changes in GI tract and Confocal Light Absorption and Scattering Spectroscopic (CLASS) Microscopy for studying cells in vivo without exogenous markers. One important application of the clinical PLSS endoscopic instrument, a noncontact scanning imaging device compatible with the standard clinical endoscopes and capable of detecting dysplastic changes, is to serve as a guide for biopsy in Barrett's esophagus (BE). The instrument detects parallel and perpendicular components of the polarized light, backscattered from epithelial tissues, and determines characteristics of epithelial nuclei from the residual spectra. It also can find tissue oxygenation, hemoglobin content and other properties from the diffuse light component. By rapidly scanning esophagus the PLSS endoscopic instrument makes sure the entire BE portion is scanned and examined for the presence of dysplasia. CLASS microscopy, on the other hand, combines principles of light scattering spectroscopy (LSS) with confocal microscopy. Its main purpose is to image cells on organelle scale in vivo without the use of exogenous labels which may affect the cell function. The confocal geometry selects specific region and

  5. Application of optical spectroscopic techniques for disease diagnosis

    NASA Astrophysics Data System (ADS)

    Saha, Anushree

    Optical spectroscopy, a truly non-invasive tool for remote diagnostics, is capable of providing valuable information on the structure and function of molecules. However, most spectroscopic techniques suffer from drawbacks, which limit their application. As a part of my dissertation work, I have developed theoretical and experimental methods to address the above mentioned issues. I have successfully applied these methods for monitoring the physical, chemical and biochemical parameters of biomolecules involved in some specific life threatening diseases like lead poisoning and age-related macular degeneration (AMD). I presented optical studies of melanosomes, which are one of the vital organelles in the human eye, also known to be responsible for a disease called age-related macular degeneration (AMD), a condition of advanced degeneration which causes progressive blindness. I used Raman spectroscopy, to first chemically identify the composition of melanosome, and then monitor the changes in its functional and chemical behavior due to long term exposure to visible light. The above study, apart from explaining the role of melanosomes in AMD, also sets the threshold power for lasers used in surgeries and other clinical applications. In the second part of my dissertation, a battery of spectroscopic techniques was successfully applied to explore the different binding sites of lead ions with the most abundant carrier protein molecule in our circulatory system, human serum albumin. I applied optical spectroscopic tools for ultrasensitive detection of heavy metal ions in solution which can also be used for lead detection at a very early stage of lead poisoning. Apart from this, I used Raman microspectroscopy to study the chemical alteration occurring inside a prostate cancer cell as a result of a treatment with a low concentrated aqueous extract of a prospective drug, Nerium Oleander. The experimental methods used in this study has tremendous potential for clinical

  6. Impact of difference in absorption line parameters in spectroscopic databases on CO2 and CH4 atmospheric content retrievals

    NASA Astrophysics Data System (ADS)

    Chesnokova, T. Yu.; Chentsov, A. V.; Rokotyan, N. V.; Zakharov, V. I.

    2016-09-01

    The impact of uncertainties in CH4 and CO2 absorption line parameters in modern spectroscopic databases on the atmospheric transmission simulation in the near-infrared region is investigated. The atmospheric contents of CH4 and CO2 are retrieved from the absorption solar spectra measured by a ground-based Fourier transform spectrometer. Different spectroscopic databases are used in the forward radiative transfer model and a comparison of the retrieved results is made.

  7. Rapid identification of single microbes by various Raman spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Rösch, Petra; Harz, Michaela; Schmitt, Michael; Peschke, Klaus-Dieter; Ronneberger, Olaf; Burkhardt, Hans; Motzkus, Hans-Walter; Lankers, Markus; Hofer, Stefan; Thiele, Hans; Popp, Jürgen

    2006-02-01

    A fast and unambiguous identification of microorganisms is necessary not only for medical purposes but also in technical processes such as the production of pharmaceuticals. Conventional microbiological identification methods are based on the morphology and the ability of microbes to grow under different conditions on various cultivation media depending on their biochemical properties. These methods require pure cultures which need cultivation of at least 6 h but normally much longer. Recently also additional methods to identify bacteria are established e.g. mass spectroscopy, polymerase chain reaction (PCR), flow cytometry or fluorescence spectroscopy. Alternative approaches for the identification of microorganisms are vibrational spectroscopic techniques. With Raman spectroscopy a spectroscopic fingerprint of the microorganisms can be achieved. Using UV-resonance Raman spectroscopy (UVRR) macromolecules like DNA/RNA and proteins are resonantly enhanced. With an excitation wavelength of e.g. 244 nm it is possible to determine the ratio of guanine/cytosine to all DNA bases which allows a genotypic identification of microorganisms. The application of UVRR requires a large amount of microorganisms (> 10 6 cells) e.g. at least a micro colony. For the analysis of single cells micro-Raman spectroscopy with an excitation wavelength of 532 nm can be used. Here, the obtained information is from all type of molecules inside the cells which lead to a chemotaxonomic identification. In this contribution we show how wavelength dependent Raman spectroscopy yields significant molecular information applicable for the identification of microorganisms on a single cell level.

  8. Time-resolved spectroscopic fluorescence imaging, transient absorption and vibrational spectroscopy of intact and photo-inhibited photosynthetic tissue.

    PubMed

    Lukins, Philip B; Rehman, Shakil; Stevens, Gregory B; George, Doaa

    2005-01-01

    Fluorescence, absorption and vibrational spectroscopic techniques were used to study spinach at the photosystem II (PS II), chloroplast and cellular levels and to determine the effects and mechanisms of ultraviolet-B (UV-B) photoinhibition of these structures. Two-photon fluorescence spectroscopic imaging of intact chloroplasts shows significant spatial variations in the component fluorescence spectra in the range 640-740 nm, indicating that the type and distribution of chlorophylls vary markedly with position in the chloroplast. The chlorophyll distributions and excitonic behaviour in chloroplasts and whole plant tissue were studied using picosecond time-gated fluorescence imaging, which also showed UV-induced kinetic changes that clearly indicate that UV-B induces both structural and excitonic uncoupling of chlorophylls within the light-harvesting complexes. Transient absorption measurements and low-frequency infrared and Raman spectroscopy show that the predominant sites of UV-B damage in PS II are at the oxygen-evolving centre (OEC) itself, as well as at specific locations near the OEC-binding sites.

  9. Studies of tropical fruit ripening using three different spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Zhang, Hao; Huang, Jing; Li, Tianqi; Wu, Xiuxiang; Svanberg, Sune; Svanberg, Katarina

    2014-06-01

    We present a noninvasive method to study fruit ripening. The method is based on the combination of reflectance and fluorescence spectroscopies, as well as gas in scattering media absorption spectroscopy (GASMAS). Chlorophyll and oxygen are two of the most important constituents in the fruit ripening process. Reflectance and fluorescence spectroscopies were used to quantify the changes of chlorophyll and other chromophores. GASMAS, based on tunable diode laser absorption spectroscopy, was used to measure free molecular oxygen in the fruit tissue at 760 nm, based on the fact that the free gases have much narrower spectral imprints than those of solid materials. The fruit maturation and ripening processes can be followed by studying the changes of chlorophyll and oxygen contents with these three techniques.

  10. Narrow C IV absorption doublets on quasar spectra of the Baryon Oscillation Spectroscopic Survey

    NASA Astrophysics Data System (ADS)

    Chen, Zhi-Fu; Gu, Qiu-Sheng; Zhou, Luwenjia; Chen, Yan-Mei

    2016-11-01

    In this paper, we extend our work of Papers I and II, which are assigned to systematically survey C IV λλ1548,1551 narrow absorption lines (NALs) with zabs ≪ zem on quasar spectra of the Baryon Oscillation Spectroscopic Survey (BOSS) to collect C IV NALs with zabs ≈ zem from blue to red wings of C IV λ1549 emission lines. Together with Papers I and II, we have collected a total number of 41 479 C IV NALs with 1.4544 ≤ zabs ≤ 4.9224 in surveyed spectral region redward of Lyα until red wing of C IV λ1549 emission line. We find that the stronger C IV NALs tend to be the more saturated absorptions, and associated systems (zabs ≈ zem) seem to have larger absorption strengths when compared to intervening ones (zabs ≪ zem). The redshift density evolution behaviour of absorbers (the number of absorbers per redshift path) is similar to the history of the cosmic star formation. When compared to the quasar-frame velocity (β) distribution of Mg II absorbers, the β distribution of C IV absorbers is broader at β ≈ 0, shows longer extended tail, and exhibits a larger dispersion for environmental absorptions. In addition, for associated C IV absorbers, we find that low-luminosity quasars seem to exhibit smaller β and stronger absorptions when compared to high-luminosity quasars.

  11. Differential absorption radar techniques: water vapor retrievals

    NASA Astrophysics Data System (ADS)

    Millán, Luis; Lebsock, Matthew; Livesey, Nathaniel; Tanelli, Simone

    2016-06-01

    Two radar pulses sent at different frequencies near the 183 GHz water vapor line can be used to determine total column water vapor and water vapor profiles (within clouds or precipitation) exploiting the differential absorption on and off the line. We assess these water vapor measurements by applying a radar instrument simulator to CloudSat pixels and then running end-to-end retrieval simulations. These end-to-end retrievals enable us to fully characterize not only the expected precision but also their potential biases, allowing us to select radar tones that maximize the water vapor signal minimizing potential errors due to spectral variations in the target extinction properties. A hypothetical CloudSat-like instrument with 500 m by ˜ 1 km vertical and horizontal resolution and a minimum detectable signal and radar precision of -30 and 0.16 dBZ, respectively, can estimate total column water vapor with an expected precision of around 0.03 cm, with potential biases smaller than 0.26 cm most of the time, even under rainy conditions. The expected precision for water vapor profiles was found to be around 89 % on average, with potential biases smaller than 77 % most of the time when the profile is being retrieved close to surface but smaller than 38 % above 3 km. By using either horizontal or vertical averaging, the precision will improve vastly, with the measurements still retaining a considerably high vertical and/or horizontal resolution.

  12. Studies on Nephrite and Jadeite Jades by Fourier Transform Infrared (ftir) and Raman Spectroscopic Techniques

    NASA Astrophysics Data System (ADS)

    Tan, T. L.; Ng, L. L.; Lim, L. C.

    2013-10-01

    The mineralogical properties of black nephrite jade from Western Australia are studied by Fourier transform infrared (FTIR) spectroscopy using both transmission and specular reflectance techniques in the 4000-400 cm-1 wavenumber region. The infrared absorption peaks in the 3700-3600 cm-1 region which are due to the O-H stretching mode provides a quantitative analysis of the Fe/(Fe+Mg) ratio in the mineral composition of jade samples. The Fe/(Fe+Mg) percentage in black nephrite is found to be higher than that in green nephrite, but comparable to that of actinolite (iron-rich nephrite). This implies that the mineralogy of black nephrite is closer to actinolite than tremolite. The jade is also characterized using Raman spectroscopy in the 1200-200 cm-1 region. Results from FTIR and Raman spectroscopic data of black nephrite jade are compared with those of green nephrite jade from New Zealand and jadeite jade from Myanmar. Black nephrite appears to have a slightly different chemical composition from green nephrite. Spectra from FTIR and Raman spectroscopic techniques were found to be useful in differentiating black nephrite, green nephrite, and green jadeite jades. Furthermore, data on refractive index, specific gravity, and hardness of black nephrite jade are measured and compared with those of green nephrite and of jadeite jade.

  13. Spectroscopic photothermal radiometry as a deep subsurface depth profilometric technique in semiconductors

    NASA Astrophysics Data System (ADS)

    Shaughnessy, D.; Mandelis, A.

    2003-01-01

    The theoretical and experimental aspects of spectroscopic photothermal radiometry (PTR) of semiconductors are presented and the potential of the technique for depth profilometry is established. A three-dimensional model of the PTR signal from a semiconductor excited by light of arbitrary optical penetration depth is presented. Numerical simulations of the PTR response to the electronic transport parameters and the optical penetration depth of the excitation source are presented. Intensity-modulated frequency scans and two-dimensional surface scans at fixed frequencies have been performed at several different absorption depths on a Si wafer with various degrees of mechanical damage introduced to either the front or the back surface. The electronic transport parameters obtained from fitting the frequency scans to the theoretical model and analysis of the experimental curves show that while the surface recombination velocities extracted from the fits do not vary significantly with excitation wavelength, the carrier recombination lifetime and the overall sensitivity of the photothermal radiometric signal to spatially localized damage is strongly influenced by the proximity of the injected excess carrier density centroid to the defect location. This correlation between the sensitivity of the PTR signal to a localized defect and the proximity of the injected carriers to the defect demonstrates the potential for spectroscopic PTR as a depth profilometric technique for semiconductors.

  14. In vivo gallbladder absorption: a new dual-isotope technique

    SciTech Connect

    Conter, R.L.; Porter-Fink, V.; Denbesten, L.; Roslyn, J.J.

    1986-10-01

    Available methods for measuring in vivo gallbladder absorption preclude the use of animals in which hepatic bile enters the gallbladder via accessory or aberrant channels. However, accessory bile ducts are present in many of the animal models currently used in gallstone research. The aim of this study, therefore, was to evaluate a new dual-isotope technique that corrects for accessory bile flow and to compare data on electrolyte and water absorption with those derived from the standard, single-isotope technique. Prairie dogs underwent gallbladder exclusion by cystic duct ligation and common bile duct cannulation. Carbon 14-polyethylene glycol-labeled lactated Ringer's solution was instilled into the gallbladder while tritiated cholic acid was administered intravenously to label the bile acid pool. There is no correlation between water or electrolyte absorption and time, nor between water and electrolyte absorption, when these parameters are calculated by the standard, single-isotope technique. In contrast, use of the dual-isotope technique quantifies accessory bile duct flow and yields a linear increase in water and electrolyte absorption, both of which are time dependent. These data suggest that the dual-isotope technique provides a means to accurately measure in vivo gallbladder absorption in animals with or without accessory bile ducts.

  15. Study on the interaction between Besifloxacin and bovine serum albumin by spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Yu, Xianyong; Jiang, Bingfei; Liao, Zhixi; Jiao, Yue; Yi, Pinggui

    2015-10-01

    The interaction between Besifloxacin (BFLX) and bovine serum albumin (BSA) was investigated by spectroscopic (fluorescence, UV-Vis absorption and circular dichroism) techniques under imitated physiological conditions. The experiments were conducted at different temperatures (298, 304 and 310 K) and the results showed that the BFLX caused the fluorescence quenching of BSA through a static quenching procedure. The binding constant (Ka), binding sites (n) were obtained. The corresponding thermodynamic parameters (ΔH, ΔS and ΔG) of the interaction system were calculated at different temperatures. The results revealed that the binding process was spontaneous and the acting force between BFLX and BSA were mainly electrostatic forces. According to Förster non-radiation energy transfer theory, the binding distance between BFLX and BSA was calculated to be 4.96 nm. What is more, both synchronous fluorescence and circular dichroism spectra confirmed conformational changes of BSA.

  16. Tone-burst technique measures high-intensity sound absorption

    NASA Technical Reports Server (NTRS)

    Powell, J. G.; Van Houten, J. J.

    1971-01-01

    Tone-burst technique, in which narrow-bandwidth, short-duration sonic pulse is propagated down a standing-wave tube, measures sound absorbing capacity of materials used in jet engine noise abatement. Technique eliminates effects of tube losses and yields normal-incidence absorption coefficient of specimen.

  17. Applications of synchrotron-based spectroscopic techniques in studying nucleic acids and nucleic acid-functionalized nanomaterials.

    PubMed

    Wu, Peiwen; Yu, Yang; McGhee, Claire E; Tan, Li Huey; Lu, Yi

    2014-12-10

    In this review, we summarize recent progress in the application of synchrotron-based spectroscopic techniques for nucleic acid research that takes advantage of high-flux and high-brilliance electromagnetic radiation from synchrotron sources. The first section of the review focuses on the characterization of the structure and folding processes of nucleic acids using different types of synchrotron-based spectroscopies, such as X-ray absorption spectroscopy, X-ray emission spectroscopy, X-ray photoelectron spectroscopy, synchrotron radiation circular dichroism, X-ray footprinting and small-angle X-ray scattering. In the second section, the characterization of nucleic acid-based nanostructures, nucleic acid-functionalized nanomaterials and nucleic acid-lipid interactions using these spectroscopic techniques is summarized. Insights gained from these studies are described and future directions of this field are also discussed.

  18. Applications of synchrotron-based spectroscopic techniques in studying nucleic acids and nucleic acid-functionalized nanomaterials

    PubMed Central

    Wu, Peiwen; Yu, Yang; McGhee, Claire E.; Tan, Li Huey

    2014-01-01

    In this review, we summarize recent progresses in the application of synchrotron-based spectroscopic techniques for nucleic acid research that takes advantage of high-flux and high-brilliance electromagnetic radiation from synchrotron sources. The first section of the review focuses on the characterization of the structure and folding processes of nucleic acids using different types of synchrotron-based spectroscopies, such as X-ray absorption spectroscopy, X-ray emission spectroscopy, X-ray photoelectron spectroscopy, synchrotron radiation circular dichroism, X-ray footprinting and small-angle X-ray scattering. In the second section, the characterization of nucleic acid-based nanostructures, nucleic acid-functionalized nanomaterials and nucleic acid-lipid interactions using these spectroscopic techniques is summarized. Insights gained from these studies are described and future directions of this field are also discussed. PMID:25205057

  19. Three-photon absorption and vibrational spectroscopic study of 2-methylamino-5-chlorobenzophenone.

    PubMed

    Sajan, D; Chaitanya, K; Safakath, K; Philip, Reji; Suthan, T; Rajesh, N P

    2013-04-01

    In this paper, the vibrational spectral analysis and three-photon absorption properties of an organic material of 2-methylamino-5-chlorobenzophenone have been reported. The geometry and harmonic vibrational wavenumbers are calculated with the help of B3LYP density functional theory method. The detailed interpretation of the vibrational spectra has been carried out with the aid of normal coordinate analysis following the scaled quantum mechanical force field methodology (SQM). SQM force fields have also been used to calculate potential energy distribution (PED) in order to make conspicuous vibrational assignments. The nonlinear absorption properties have been investigated in ethanol solution at 532nm using the Z-scan technique employing laser pulses of 5ns duration. Open aperture Z-scan data reveal the presence of effective three-photon absorption for ns pulses at 532nm resulting in a strong optical limiting behavior, indicating possible photonic applications. PMID:23410921

  20. UV-fluorescence spectroscopic technique in the diagnosis of breast, ovarian, uterus, and cervix cancer

    NASA Astrophysics Data System (ADS)

    Das, Bidyut B.; Glassman, Wenling S.; Alfano, Robert R.; Cleary, Joseph; Prudente, R.; Celmer, Edward J.; Lubicz, Stephanie

    1991-06-01

    Malignant breast tumors can be separated from benign and normal tissues using uv-fluorescence spectroscopic technique. Using the same method one can also distinguish cancerous tissues from noncancerous ones in case of cervix, uterus and ovary.

  1. Study on the interaction of catechins with human serum albumin using spectroscopic and electrophoretic techniques

    NASA Astrophysics Data System (ADS)

    Trnková, Lucie; Boušová, Iva; Staňková, Veronika; Dršata, Jaroslav

    2011-01-01

    The interaction between eight naturally occurring flavanols (catechin, epicatechin, gallocatechin, epigallocatechin, catechin gallate, epicatechin gallate, gallocatechin gallate, and epigallocatechin gallate) and human serum albumin (HSA) has been investigated by spectroscopic (fluorescence quenching and UV-Vis absorption) and electrophoretic (native and SDS PAGE) techniques under simulated physiological conditions (pH 7.40, 37 °C). The spectroscopic results confirmed the complex formation for the tested systems. The binding constants and the number of binding sites were obtained by analysis of fluorescence data. The strongest binding affinity to HSA was found for epicatechin gallate and decreased in the order epicatechin gallate ⩾ catechin gallate > epigallocatechin gallate > gallocatechin gallate ≫ epicatechin ⩾ catechin > gallocatechin ⩾ epigallocatechin. All free energy changes possessed negative sign indicating the spontaneity of catechin-HSA systems formation. The binding distances between the donor (HSA) and the acceptors (catechins) estimated by the Förster theory revealed that non-radiation energy transfer from HSA to catechins occurred with high possibility. According to results obtained by native PAGE, the galloylated catechins increased the electrophoretic mobility of HSA, which indicated the change in the molecular charge of HSA, whilst the non-galloylated catechins caused no changes. The ability of aggregation and cross-linking of tested catechins with HSA was not proved by SDS-PAGE. The relationship between the structure characteristics of all tested catechins (e.g. presence of the galloyl moiety on the C-ring, the number of hydroxyl groups on the B-ring, and the spatial arrangement of the substituents on the C-ring) and their binding properties to HSA is discussed. The presented study contributes to the current knowledge in the area of protein-ligand binding, particularly catechin-HSA interactions.

  2. The Far Ultraviolet Spectroscopic Explorer Survey of O VI Absorption in and near the Galaxy

    NASA Astrophysics Data System (ADS)

    Wakker, B. P.; Savage, B. D.; Sembach, K. R.; Richter, P.; Meade, M.; Jenkins, E. B.; Shull, J. M.; Ake, T. B.; Blair, W. P.; Dixon, W. V.; Friedman, S. D.; Green, J. C.; Green, R. F.; Kruk, J. W.; Moos, H. W.; Murphy, E. M.; Oegerle, W. R.; Sahnow, D. J.; Sonneborn, G.; Wilkinson, E.; York, D. G.

    2003-05-01

    We present Far Ultraviolet Spectroscopic Explorer (FUSE) observations of the O VI λλ1031.926, 1037.617 absorption lines associated with gas in and near the Milky Way, as detected in the spectra of a sample of 100 extragalactic targets and two distant halo stars. We combine data from several FUSE Science Team programs with guest observer data that were public before 2002 May 1. The sight lines cover most of the sky above Galactic latitude |b|>25deg-at lower latitude the ultraviolet extinction is usually too large for extragalactic observations. We describe the details of the calibration, alignment in velocity, continuum fitting, and manner in which several contaminants were removed-Galactic H2, absorption intrinsic to the background target and intergalactic Lyβ lines. This decontamination was done very carefully, and in several sight lines very subtle problems were found. We searched for O VI absorption in the velocity range -1200 to 1200 km s-1. With a few exceptions, we only find O VI in the velocity range -400 to 400 km s-1 the exceptions may be intergalactic O VI. In this paper we analyze the O VI associated with the Milky Way (and possibly with the Local Group). We discuss the separation of the observed O VI absorption into components associated with the Milky Way halo and components at high velocity, which are probably located in the neighborhood of the Milky Way. We describe the measurements of equivalent width and column density, and we analyze the different contributions to the errors. We conclude that low-velocity Galactic O VI absorption occurs along all sight lines-the few nondetections only occur in noisy spectra. We further show that high-velocity O VI is very common, having equivalent width >65 mÅ in 50% of the sight lines and equivalent width >30 mÅ in 70% of the high-quality sight lines. The central velocities of high-velocity O VI components range from |vLSR|=100 to 330 km s-1 there is no correlation between velocity and absorption strength

  3. Near-infrared diode laser based spectroscopic detection of ammonia: a comparative study of photoacoustic and direct optical absorption methods

    NASA Technical Reports Server (NTRS)

    Bozoki, Zoltan; Mohacsi, Arpad; Szabo, Gabor; Bor, Zsolt; Erdelyi, Miklos; Chen, Weidong; Tittel, Frank K.

    2002-01-01

    A photoacoustic spectroscopic (PAS) and a direct optical absorption spectroscopic (OAS) gas sensor, both using continuous-wave room-temperature diode lasers operating at 1531.8 nm, were compared on the basis of ammonia detection. Excellent linear correlation between the detector signals of the two systems was found. Although the physical properties and the mode of operation of both sensors were significantly different, their performances were found to be remarkably similar, with a sub-ppm level minimum detectable concentration of ammonia and a fast response time in the range of a few minutes.

  4. Galactic Soft X-ray Emission Revealed with Spectroscopic Study of Absorption and Emission Spectra

    NASA Astrophysics Data System (ADS)

    Yamasaki, Noriko Y.; Mitsuda, K.; Takei, Y.; Hagihara, T.; Yoshino, T.; Wang, Q. D.; Yao, Y.; McCammon, D.

    2010-03-01

    Spectroscopic study of Oxygen emission/absorption lines is a new tool to investigate the nature of the soft X-ray background. We investigated the emission spectra of 14 fields obtained by Suzaku, and detected OVII and OVIII lines separately. There is an almost isotropic OVII line emission with 2 LU intensity. As the attenuation length in the Galactic plane for that energy is short, that OVII emission should arise within 300 pc of our neighborhood. In comparison with the estimated emission measure for the local bubble, the most plausible origin of this component is the solar wind charge exchange with local interstellar materials. Another component presented from the correlation between the OVII and OVIII line intensity is a thermal emission with an apparent temperature of 0.2 keV with a field-to-field fluctuation of 10% in temperature, while the intensity varies about a factor of 4. By the combination analysis of the emission and the absorption spectra, we can investigate the density and the scale length of intervening plasma separately. We analyzed the Chanrdra grating spectra of LMC X-3 and PKS 2155-304, and emission spectra toward the line of sight by Suzaku. In both cases, the combined analysis showed that the hot plasma is not iso-thermal nor uniform. Assuming an exponential disk distribution, the thickness of the disk is as large as a few kpc. It suggests that there is a thick hot disk or hot halo surrounding our Galaxy, which is similar to X-ray hot haloes around several spiral galaxies.

  5. Characterization of used mineral oil condition by spectroscopic techniques.

    PubMed

    Vanhanen, Jarmo; Rinkiö, Marcus; Aumanen, Jukka; Korppi-Tommola, Jouko; Kolehmainen, Erkki; Kerkkänen, Tuula; Törmä, Päivi

    2004-08-20

    Optical absorption, fluorescence, and quantitative 13C NMR spectroscopy have been used to study the degradation of mineral gearbox oil. Samples of used oil were collected from field service. Measured absorption, fluorescence, and quantitative 13C NMR spectra of used oils show characteristic changes from the spectra of a fresh oil sample. A clearly observable, approximately 20-nm blueshift of the fluorescence emission occurs during the early stages of oil use and correlates with changes in intensity of some specific 13C NMR resonance lines. These changes correlate with oil age because of the connection between the blueshift and breaking of the larger conjugated hydrocarbons of oil as a result of use.

  6. X-ray absorption spectroscopic studies of mononuclear non-heme iron enzymes

    SciTech Connect

    Westre, T.E.

    1996-01-01

    Fe-K-edge X-ray absorption spectroscopy (XAS) has been used to investigate the electronic and geometric structure of the iron active site in non-heme iron enzymes. A new theoretical extended X-ray absorption fine structure (EXAFS) analysis approach, called GNXAS, has been tested on data for iron model complexes to evaluate the utility and reliability of this new technique, especially with respect to the effects of multiple-scattering. In addition, a detailed analysis of the 1s{yields}3d pre-edge feature has been developed as a tool for investigating the oxidation state, spin state, and geometry of iron sites. Edge and EXAFS analyses have then been applied to the study of non-heme iron enzyme active sites.

  7. Oxygen detection using the laser diode absorption technique

    NASA Technical Reports Server (NTRS)

    Disimile, P. J.; Fox, C. W.

    1991-01-01

    Accurate measurement of the concentration and flow rate of gaseous oxygen is becoming of greater importance. The detection technique presented is based on the principal of light absorption by the Oxygen A-Band. Oxygen molecules have characteristics which attenuate radiation in the 759-770 nm wavelength range. With an ability to measure changes in the relative light transmission to less than 0.01 percent, a sensitive optical gas detection system was configured. This system is smaller in size and light in weight, has low energy requirements and has a rapid response time. In this research program, the application of temperature tuning laser diodes and their ability to be wavelength shifted to a selected absorption spectral peak has allowed concentrations as low as 1300 ppm to be detected.

  8. Munitions classification using an Acoustic Resonance Spectroscopic technique

    SciTech Connect

    Roberts, R.S.; Chen, J.T.; Vela, O.A.; Lewis, P.S.

    1993-12-01

    In support of the Bilateral Chemical Weapons Agreement between the United States and Russia, Los Alamos National Laboratory has developed a nondestructive evaluation (NDE) technique that discriminates between different types of artillery munitions. This NDE classification technique allows on-site inspectors to rapidly classify the munitions as chemical or high explosive, and furthermore discriminates between various subclasses of these types of munitions. This technique, based on acoustic resonance measurements, has been successfully demonstrated on a wide variety of high explosive and chemical munitions. The technique consists of building templates of spectral features from sets of known munitions. Spectral features of unknown munitions are compared with a library of templates, and the degree of match between the features and the templates is used to classify the munition. This paper describes the technique, including the feature extraction, clustering and classification algorithms.

  9. New analytical technique for carbon dioxide absorption solvents

    SciTech Connect

    Pouryousefi, F.; Idem, R.O.

    2008-02-15

    The densities and refractive indices of two binary systems (water + MEA and water + MDEA) and three ternary systems (water + MEA + CO{sub 2}, water + MDEA + CO{sub 2}, and water + MEA + MDEA) used for carbon dioxide (CO{sub 2}) capture were measured over the range of compositions of the aqueous alkanolamine(s) used for CO{sub 2} absorption at temperatures from 295 to 338 K. Experimental densities were modeled empirically, while the experimental refractive indices were modeled using well-established models from the known values of their pure-component densities and refractive indices. The density and Gladstone-Dale refractive index models were then used to obtain the compositions of unknown samples of the binary and ternary systems by simultaneous solution of the density and refractive index equations. The results from this technique have been compared with HPLC (high-performance liquid chromatography) results, while a third independent technique (acid-base titration) was used to verify the results. The results show that the systems' compositions obtained from the simple and easy-to-use refractive index/density technique were very comparable to the expensive and laborious HPLC/titration techniques, suggesting that the refractive index/density technique can be used to replace existing methods for analysis of fresh or nondegraded, CO{sub 2}-loaded, single and mixed alkanolamine solutions.

  10. Characterization of the solid-state: spectroscopic techniques.

    PubMed

    Bugay, D E

    2001-05-16

    The physical characterization of pharmaceutical solids is an integral aspect of the drug development process. This review summarizes the use of solid-state spectroscopy techniques used in the physical characterization of the active pharmaceutical ingredient, excipients, physical mixtures, and the final dosage form. A brief introduction to infrared, Raman, and solid-state NMR experimental techniques are described as well as a more thorough description of qualitative and quantitative applications. The use of solid-state imaging techniques such as IR, Raman, and TOF-SIMS is also introduced to the reader.

  11. Theoretical modeling of the spectroscopic absorption properties of luciferin and oxyluciferin: A critical comparison with recent experimental studies

    NASA Astrophysics Data System (ADS)

    Anselmi, Massimiliano; Marocchi, Simone; Aschi, Massimiliano; Amadei, Andrea

    2012-01-01

    Firefly luciferin and its oxidated form, oxyluciferin, are two heterocyclic compounds involved in the enzymatic reaction, catalyzed by redox proteins called luciferases, which provides the bioluminescence in a wide group of arthropods. Whereas the electronic absorption spectra of D-luciferin in water at different pHs are known since 1960s, only recently reliable experimental electronic spectra of oxyluciferin have become available. In addition oxyluciferin is involved in a triple chemical equilibria (deprotonation of the two hydroxyl groups and keto-enol tautomerism of the 4-hydroxythiazole ring), that obligates to select during an experiment a predominant species, tuning pH or solvent polarity besides introducing chemical modifications. In this study we report the absorption spectra of luciferin and oxyluciferin in each principal chemical form, calculated by means of perturbed matrix method (PMM), which allowed us to successfully introduce the effect of the solvent on the spectroscopic absorption properties, and compare the result with available experimental data.

  12. Absorption properties of type-II InAs/InAsSb superlattices measured by spectroscopic ellipsometry

    SciTech Connect

    Webster, P. T.; Riordan, N. A.; Liu, S.; Zhang, Y.-H.; Johnson, S. R.; Steenbergen, E. H.

    2015-02-09

    Strain-balanced InAs/InAsSb superlattices offer access to the mid- to long-wavelength infrared region with what is essentially a ternary material system at the GaSb lattice constant. The absorption coefficients of InAs/InAsSb superlattices grown by molecular beam epitaxy on (100)-oriented GaSb substrates are measured at room temperature over the 30 to 800 meV photon energy range using spectroscopic ellipsometry, and the miniband structure of each superlattice is calculated using a Kronig-Penney model. The InAs/InAsSb conduction band offset is used as a fitting parameter to align the calculated superlattice ground state transition energy to the measured absorption onset at room temperature and to the photoluminescence peak energy at low temperature. It is observed that the ground state absorption coefficient and transition strength are proportional to the square of the wavefunction overlap and the ground state absorption coefficient approaches a maximum value of around 5780 cm{sup −1} as the wavefunction overlap approaches 100%. The absorption analysis of these samples indicates that the optical joint density of states is weakly dependent on the period thickness and Sb content of the superlattice, and that wavefunction overlap is the principal design parameter in terms of obtaining strong absorption in these structures.

  13. Study on the interaction between ginsenoside Rh2 and calf thymus DNA by spectroscopic techniques.

    PubMed

    Wu, Dudu; Chen, Zhi

    2015-12-01

    The interaction between ginsenoside Rh2 (G-Rh2) and calf thymus DNA (ctDNA) was investigated by spectroscopic methods including UV-vis absorption, fluorescence and circular dichroism (CD) spectroscopy, coupled with DNA melting techniques and viscosity measurements. Stern-Volmer plots at different temperatures proved that the quenching mechanism was a static quenching procedure. The thermodynamic parameters, enthalpy change (ΔH) and entropy change (ΔS) were calculated to be -22.83 KJ · mol(-1) and 15.11 J · mol(-1) · K(-1) by van 't Hoff equation, suggesting that hydrophobic force might play a major role in the binding of G-Rh2 to ctDNA. Moreover, the fluorescence quenching study with potassium iodide as quencher indicated that the KSV (Stern-Volmer quenching constant) value for the bound G-Rh2 with ctDNA was lower than the free G-Rh2. The relative viscosity of ctDNA increased with the addition of G-Rh2 and also the ctDNA melting temperature increased in the presence of G-Rh2. Denatured DNA studies showed that quenching by single-stranded DNA was less than that by double-stranded DNA. The observed changes in CD spectra also demonstrated that the intensities of the positive and negative bands decreased with the addition of G-Rh2. The experimental results suggest that G-Rh2 molecules bind to ctDNA via an intercalative binding mode.

  14. Study on the interaction between ginsenoside Rh2 and calf thymus DNA by spectroscopic techniques.

    PubMed

    Wu, Dudu; Chen, Zhi

    2015-12-01

    The interaction between ginsenoside Rh2 (G-Rh2) and calf thymus DNA (ctDNA) was investigated by spectroscopic methods including UV-vis absorption, fluorescence and circular dichroism (CD) spectroscopy, coupled with DNA melting techniques and viscosity measurements. Stern-Volmer plots at different temperatures proved that the quenching mechanism was a static quenching procedure. The thermodynamic parameters, enthalpy change (ΔH) and entropy change (ΔS) were calculated to be -22.83 KJ · mol(-1) and 15.11 J · mol(-1) · K(-1) by van 't Hoff equation, suggesting that hydrophobic force might play a major role in the binding of G-Rh2 to ctDNA. Moreover, the fluorescence quenching study with potassium iodide as quencher indicated that the KSV (Stern-Volmer quenching constant) value for the bound G-Rh2 with ctDNA was lower than the free G-Rh2. The relative viscosity of ctDNA increased with the addition of G-Rh2 and also the ctDNA melting temperature increased in the presence of G-Rh2. Denatured DNA studies showed that quenching by single-stranded DNA was less than that by double-stranded DNA. The observed changes in CD spectra also demonstrated that the intensities of the positive and negative bands decreased with the addition of G-Rh2. The experimental results suggest that G-Rh2 molecules bind to ctDNA via an intercalative binding mode. PMID:25727213

  15. Characterization of Sorolla's gouache pigments by means of spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Roldán, Clodoaldo; Juanes, David; Ferrazza, Livio; Carballo, Jorgelina

    2016-02-01

    This paper presents the characterization of the Joaquín Sorolla's gouache sketches for the oil on canvas series "Vision of Spain" commissioned by A. M. Huntington to decorate the library of the Hispanic Society of America in New York. The analyses were focused on the identification of the elemental composition of the gouache pigments by means of portable EDXRF spectrometry in a non-destructive mode. Additionally, SEM-EDX and FTIR analyses of a selected set of micro-samples were carried out to identify completely the pigments, the paint technique and the binding media. The obtained results have confirmed the identification of lead and zinc white, vermillion, earth pigments, ochre, zinc yellow, chrome yellow, ultramarine, Prussian blue, chromium based and copper-arsenic based green pigments, bone black and carbon based black pigments, and the use of gum arabic as binding media in the gouache pigments.

  16. Use of different spectroscopic techniques in the analysis of Roman age wall paintings.

    PubMed

    Agnoli, Francesca; Calliari, Irene; Mazzocchin, Gian-Antonio

    2007-01-01

    In this paper the analysis of samples of Roman age wall paintings coming from: Pordenone, Vicenza and Verona is carried out by using three different techniques: energy dispersive x-rays spectroscopy (EDS), x-rays fluorescence (XRF) and proton induced x-rays emission (PIXE). The features of the three spectroscopic techniques in the analysis of samples of archaeological interest are discussed. The studied pigments were: cinnabar, yellow ochre, green earth, Egyptian blue and carbon black.

  17. Study of second-order nonlinear hyperpolarisability of all-trans-β-carotene in solutions by linear spectroscopic technique

    NASA Astrophysics Data System (ADS)

    Fang, Wen-Hui; Men, Zhi-Wei; Sun, Cheng-Lin; Qu, Guan-Nan; Yang, Guang; Li, Zuo-Wei; Gao, Shu-Qin; Lu, Guo-Hui

    2010-06-01

    This paper demonstrates the second-order nonlinear hyperpolarisability γ of all-trans-β-carotene in different solvents by linear spectroscopic technique that is based on resonance Raman scattering and UV-VIS (Ultraviolet-visible) absorption spectroscopy. Owing to the two-level model well describing the link that exists between the resonance Raman scattering and stimulated Raman scattering, the stimulated Raman polarisability αR can be calculated through the two-photon resonance system. The value of γ of all-trans-β-carotene in carbon bisulfide solution is 6.435 × 10-33 esu (1 esu of resistance = 8.98755 × 1011 ω) that is close to the true value, because the solution of all-trans-β-carotene in carbon bisulfide satisfies the rigid resonance Raman scattering condition. This method is expected to be worthy of applications to measure the second-order nonlinear hyperpolarisability of a conjugate organic molecule.

  18. White-light continuum probed femtosecond time-resolved absorption spectroscopic measurement of β-carotene under high pressure

    NASA Astrophysics Data System (ADS)

    Liu, Wei-Long; Zheng, Zhi-Ren; Zhang, Jian-Ping; Wu, Wen-Zhi; Li, Ai-Hua; Zhang, Wei; Huo, Ming-Ming; Liu, Zhi-Guo; Zhu, Rui-Bin; Zhao, Lian-Cheng; Su, Wen-Hui

    2012-04-01

    We have performed a femtosecond time-resolved absorption spectroscopic experiment of β-carotene in n-hexane solution under high pressure up to ˜1.0 GPa. Using white-light continuum in the visible spectral region as probe light, we found that the energy level of S1 state descends, whereas its lifetime becomes longer with the rising pressure. We ascribe this tendency deviating from the energy gap law to the viscosity effects on the Cdbnd C stretching vibrations, which is fully consistent with the microviscosity theory. This Letter may provide some insights on the light harvesting and photoprotection functions of carotenoids in photosynthetic organisms.

  19. Studies on the binding behavior of prodigiosin with bovine hemoglobin by multi-spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    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.

  20. Studies on the binding behavior of prodigiosin with bovine hemoglobin by multi-spectroscopic techniques.

    PubMed

    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.

  1. Measurement of optical nonlinearity by antiresonant ring interferometric nonlinear spectroscopic (ARINS) technique

    NASA Astrophysics Data System (ADS)

    Bhushan, B.

    2016-08-01

    We have reported the measurement of third-order optical nonlinearity by antiresonant ring interferometric nonlinear spectroscopic (ARINS) technique and discussed its usefulness over other popular measuring techniques such as Z-scan, degenerate four wave mixing (DFWM) and third harmonic generation (THG). The measurement has been simulated theoretically by taking different numerical values as well as sign of δ, which is a key parameter of ARINS. The technique has been benchmarked using toluene and the theoretical simulation has been substantiated experimentally by measuring the nonlinear optical coefficients ( n 2 and β) of two different samples. The disadvantages of the technique have also been discussed. However, a number of advantages of ARINS override its disadvantages and therefore, ARINS may be preferred over other measuring techniques for the measurement of nonlinear optical parameters.

  2. Absorption spectroscopic probe to investigate the interaction between Nd(III) and calf-thymus DNA

    NASA Astrophysics Data System (ADS)

    Devi, Ch. Victory; Singh, N. Rajmuhon

    2011-03-01

    The interaction between Nd(III) and Calf Thymus DNA (CT-DNA) in physiological buffer (pH 7.4) has been studied using absorption spectroscopy involving 4f-4f transition spectra in different aquated organic solvents. Complexation with CT-DNA is indicated by the changes in absorption intensity following the subsequent changes in the oscillator strengths of different 4f-4f bands and Judd-Ofelt intensity ( Tλ) parameters. The other spectral parameters namely Slator-Condon ( Fk's), nephelauxetic effect ( β), bonding ( b1/2) and percent covalency ( δ) parameters are computed to correlate with the binding of Nd(III) with DNA. The absorption spectra of Nd(III) exhibited hyperchromism and red shift in the presence of DNA. The binding constant, Kb has been determined by absorption measurement. The relative viscosity of DNA decreased with the addition of Nd(III). Thermodynamic parameters have been calculated according to relevant absorption data and Van't Hoff equation. The characterisation of bonding mode has been studied in detail. The results suggested that the major interaction mode between Nd(III) and DNA was external electrostatic binding.

  3. The role of simulation chambers in the development of spectroscopic techniques: campaigns at EUPHORE

    NASA Astrophysics Data System (ADS)

    Ródenas, Milagros; Muñoz, Amalia; Euphore Team

    2016-04-01

    Simulation chambers represent a very useful tool for the study of chemical reactions and their products, but also to characterize instruments. The development of spectroscopic techniques throughout the last decades has benefited from tests and intercomparison exercises carried out in chambers. In fact, instruments can be exposed to various controlled atmospheric scenarios that account for different environmental conditions, eliminating the uncertainties associated to fluctuations of the air mass, which must be taken into account when extrapolating results to the real conditions. Hence, a given instrument can be characterized by assessing its precision, accuracy, detection limits, time response and potential interferences in the presence of other chemical compounds, aerosols, etc. This implies that the instrument can be calibrated and validated, which allows to enhance the features of the instrument. Moreover, chambers are also the scenario of intercomparison trials, permitting multiple instruments to sample from the same well-mixed air mass simultaneously. An overview of different campaigns to characterize and/or intercompare spectroscopic techniques that have taken place in simulation chambers will be given; in particular, those carried out at EUPHORE (two twin domes, 200 m3 each, Spain), where various intercomparison exercises have been deployed under the frame of European projects (e.g. TOXIC, FIONA, PSOA campaigns supported by EUROCHAMP-II). With the common aim of measuring given compounds (e.g. HONO, NO2, OH, glyoxal, m-glyoxal, etc), an important number of spectroscopic instruments and institutions have been involved in chamber experiments, having the chance to intercompare among them and also with other non-spectroscopic systems (e.g. monitors, cromatographs, etc) or model simulations.

  4. Measurement of the absorption coefficient using the sound-intensity technique

    NASA Technical Reports Server (NTRS)

    Atwal, M.; Bernhard, R.

    1984-01-01

    The possibility of using the sound intensity technique to measure the absorption coefficient of a material is investigated. This technique measures the absorption coefficient by measuring the intensity incident on the sample and the net intensity reflected by the sample. Results obtained by this technique are compared with the standard techniques of measuring the change in the reverberation time and the standing wave ratio in a tube, thereby, calculating the random incident and the normal incident adsorption coefficient.

  5. Interaction between indium tin oxide nanoparticles and cytochrome c: A surface-enhanced Raman scattering and absorption spectroscopic study

    SciTech Connect

    Yang, Yimin E-mail: tqiu@seu.edu.cn; Du, Deyang; Fan, Jiyang; Qiu, Teng E-mail: tqiu@seu.edu.cn; Kong, Fan

    2015-06-28

    Indium-tin-oxide (ITO) nanoparticles were annealed in vacuum or reducing atmosphere to obtain different surface structures and investigate their influence on the adsorptive character and conformation of cytochrome c (Cyt c) molecule. Annealing-induced morphometric or structural changes of ITO nanoparticles were characterized by instruments of transmission electron microscopy, x-ray diffraction, and Raman scattering. Semiconductor ITO nanoparticle-enhanced Raman scattering of Cyt c was observed and the enhanced efficiency was found to closely depend on the surface structures which control the adsorbance of buffer anions needed for Cyt c loading. Direct electron transfer between Cyt c and ITO surface at the moment of molecular elastic collision was found and a reverse electron transfer process for O-terminated surface and metal-terminated surface was observed, according to absorption spectroscopic measurement on the residual solution.

  6. Interaction between indium tin oxide nanoparticles and cytochrome c: A surface-enhanced Raman scattering and absorption spectroscopic study

    NASA Astrophysics Data System (ADS)

    Yang, Yimin; Du, Deyang; Kong, Fan; Fan, Jiyang; Qiu, Teng

    2015-06-01

    Indium-tin-oxide (ITO) nanoparticles were annealed in vacuum or reducing atmosphere to obtain different surface structures and investigate their influence on the adsorptive character and conformation of cytochrome c (Cyt c) molecule. Annealing-induced morphometric or structural changes of ITO nanoparticles were characterized by instruments of transmission electron microscopy, x-ray diffraction, and Raman scattering. Semiconductor ITO nanoparticle-enhanced Raman scattering of Cyt c was observed and the enhanced efficiency was found to closely depend on the surface structures which control the adsorbance of buffer anions needed for Cyt c loading. Direct electron transfer between Cyt c and ITO surface at the moment of molecular elastic collision was found and a reverse electron transfer process for O-terminated surface and metal-terminated surface was observed, according to absorption spectroscopic measurement on the residual solution.

  7. A novel pulse height analysis technique for nuclear spectroscopic and imaging systems

    NASA Astrophysics Data System (ADS)

    Tseng, H. H.; Wang, C. Y.; Chou, H. P.

    2005-08-01

    The proposed pulse height analysis technique is based on the constant and linear relationship between pulse width and pulse height generated from front-end electronics of nuclear spectroscopic and imaging systems. The present technique has successfully implemented into the sump water radiation monitoring system in a nuclear power plant. The radiation monitoring system uses a NaI(Tl) scintillator to detect radioactive nuclides of Radon daughters brought down by rain. The technique is also used for a nuclear medical imaging system. The system uses a position sensitive photomultiplier tube coupled with a scintillator. The proposed techniques has greatly simplified the electronic design and made the system a feasible one for potable applications.

  8. A COMPARISON OF SPECTROSCOPIC VERSUS IMAGING TECHNIQUES FOR DETECTING CLOSE COMPANIONS TO KEPLER OBJECTS OF INTEREST

    SciTech Connect

    Teske, Johanna K.; Everett, Mark E.; Hirsch, Lea; Furlan, Elise; Ciardi, David R.; Horch, Elliott P.; Howell, Steve B.; Gonzales, Erica; Crepp, Justin R.

    2015-11-15

    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

  9. Quantification of UV-Visible and Laser Spectroscopic Techniques for Materials Accountability and Process Control

    SciTech Connect

    Czerwinski, Kenneth; Weck, Phil

    2013-09-13

    Ultraviolet–visible spectroscopy (UV–Visible) and time-resolved laser fluorescence spectroscopy (TRLFS) optical techniques can permit on-line analysis of actinide elements in a solvent extraction process in real time. These techniques have been used for measuring actinide speciation and concentration under laboratory conditions and are easily adaptable to multiple sampling geometries, such as dip probes, fiber-optic sample cells, and flow-through cell geometries. To fully exploit these techniques, researchers must determine the fundamental speciation of target actinides and the resulting influence on spectroscopic properties. Detection limits, process conditions, and speciation of key actinide components can be established and utilized in a range of areas, particularly those related to materials accountability and process control. Through this project, researchers will develop tools and spectroscopic techniques to evaluate solution extraction conditions and concentrations of U, Pu, and Cm in extraction processes, addressing areas of process control and materials accountability. The team will evaluate UV– Visible and TRLFS for use in solvent extraction-based separations. Ongoing research is examining efficacy of UV-Visible spectroscopy to evaluate uranium and plutonium speciation under conditions found in the UREX process and using TRLFS to evaluate Cm speciation and concentration in the TALSPEAK process. A uranyl and plutonium nitrate UV–Visible spectroscopy study met with success, which supports the utility and continued exploration of spectroscopic methods for evaluation of actinide concentrations and solution conditions for other aspects of the UREX+ solvent extraction scheme. This project will examine U and Pu absorbance in TRUEX and TALSPEAK, perform detailed examination of Cm in TRUEX and TALSPEAK, study U laser fluorescence, and apply project data to contactors. The team will also determine peak ratios as a function of solution concentrations for the

  10. Partial-transfer absorption imaging: a versatile technique for optimal imaging of ultracold gases.

    PubMed

    Ramanathan, Anand; Muniz, Sérgio R; Wright, Kevin C; Anderson, Russell P; Phillips, William D; Helmerson, Kristian; Campbell, Gretchen K

    2012-08-01

    Partial-transfer absorption imaging is a tool that enables optimal imaging of atomic clouds for a wide range of optical depths. In contrast to standard absorption imaging, the technique can be minimally destructive and can be used to obtain multiple successive images of the same sample. The technique involves transferring a small fraction of the sample from an initial internal atomic state to an auxiliary state and subsequently imaging that fraction absorptively on a cycling transition. The atoms remaining in the initial state are essentially unaffected. We demonstrate the technique, discuss its applicability, and compare its performance as a minimally destructive technique to that of phase-contrast imaging.

  11. Spectroscopic method for determination of the absorption coefficient in brain tissue.

    PubMed

    Johansson, Johannes D

    2010-01-01

    I use Monte Carlo simulations and phantom measurements to characterize a probe with adjacent optical fibres for diffuse reflectance spectroscopy during stereotactic surgery in the brain. Simulations and measurements have been fitted to a modified Beer-Lambert model for light transport in order to be able to quantify chromophore content based on clinically measured spectra in brain tissue. It was found that it is important to take the impact of the light absorption into account when calculating the apparent optical path length, lp, for the photons in order to get good estimates of the absorption coefficient, μa. The optical path length was found to be well fitted to the equation lp=a+b ln(Is)+c ln(μa)+d ln(Is)ln(μa), where Is is the reflected light intensity for scattering alone (i.e., zero absorption). Although coefficients a-d calculated in this study are specific to the probe used here, the general form of the equation should be applicable to similar probes.

  12. Spectroscopic investigation of amber color silicate glasses and factors affecting the amber related absorption bands.

    PubMed

    Morsi, Morsi M; El-Sherbiny, Samya I; Mohamed, Karam M

    2015-06-15

    The effects of carbon, Fe2O3 and Na2SO4 contents on the amber color of glass with composition (wt%) 64.3 SiO2, 25.7 CaO, 10 Na2O were studied. The effect of some additives that could be found in glass batch or cullets on the amber related absorption band(s) was also studied. An amber related absorption band due to the chromophore Fe(3+)O3S(2-) was recorded at 420 nm with shoulder at 440 nm. A second amber related band recorded at 474 nm with shoulder at 483 nm was assigned to FeS. Increasing melting time at 1400°C up to 6h caused fainting of the amber color, decreases the intensities of the amber related bands and shifted the first band to 406 nm. Addition of ZnO, Cu2O and NaNO3 to the glass produced decolorizing effect and vanishing of the amber related bands. The effects of melting time and these additives were explained on the bases of destruction the amber chromophore and its conversion into Fe(3+) in tetrahedral sites or ZnS. Addition of Se intensifies the amber related bands and may cause dark coloration due to the formation of Se° and polyselenide. Amber color can be monitored through measuring the absorption in the range 406-420 nm.

  13. Spectroscopic investigation of amber color silicate glasses and factors affecting the amber related absorption bands

    NASA Astrophysics Data System (ADS)

    Morsi, Morsi M.; El-sherbiny, Samya I.; Mohamed, Karam M.

    2015-06-01

    The effects of carbon, Fe2O3 and Na2SO4 contents on the amber color of glass with composition (wt%) 64.3 SiO2, 25.7 CaO, 10 Na2O were studied. The effect of some additives that could be found in glass batch or cullets on the amber related absorption band(s) was also studied. An amber related absorption band due to the chromophore Fe3+O3S2- was recorded at 420 nm with shoulder at 440 nm. A second amber related band recorded at 474 nm with shoulder at 483 nm was assigned to FeS. Increasing melting time at 1400 °C up to 6 h caused fainting of the amber color, decreases the intensities of the amber related bands and shifted the first band to 406 nm. Addition of ZnO, Cu2O and NaNO3 to the glass produced decolorizing effect and vanishing of the amber related bands. The effects of melting time and these additives were explained on the bases of destruction the amber chromophore and its conversion into Fe3+ in tetrahedral sites or ZnS. Addition of Se intensifies the amber related bands and may cause dark coloration due to the formation of Se° and polyselenide. Amber color can be monitored through measuring the absorption in the range 406-420 nm.

  14. A versatile setup using femtosecond adaptive spectroscopic techniques for coherent anti-Stokes Raman scattering

    SciTech Connect

    Shen, Yujie; Voronine, Dmitri V.; Sokolov, Alexei V.; Scully, Marlan O.

    2015-08-15

    We report a versatile setup based on the femtosecond adaptive spectroscopic techniques for coherent anti-Stokes Raman scattering. The setup uses a femtosecond Ti:Sapphire oscillator source and a folded 4f pulse shaper, in which the pulse shaping is carried out through conventional optical elements and does not require a spatial light modulator. Our setup is simple in alignment, and can be easily switched between the collinear single-beam and the noncollinear two-beam configurations. We demonstrate the capability for investigating both transparent and highly scattering samples by detecting transmitted and reflected signals, respectively.

  15. Diode laser absorption tomography using data compression techniques

    NASA Astrophysics Data System (ADS)

    Lindstrom, Chad; Tam, Chung-Jen; Givens, Ryan; Davis, Doug; Williams, Skip

    2008-02-01

    Tunable diode laser absorption spectroscopy (TDLAS) shows promise for in situ monitoring in high-speed flows. However, the dynamic nature of typical flows of supersonic combustors, gas turbine engines and augmenters can also lead to inhomogenities that cannot be captured by a single line-of-sight TDLAS measurement. Instead, multiple measurements varied over several spatial locations need to be made. In the current study, shock train structure in the isolator section of the Research Cell 18 supersonic combustion facility at Wright-Patterson AFB is measured. Although only two view angles are available for measurement, multiple absorption features along with a priori computational fluid dynamics (CFD) simulations enable estimates of two dimensional flow features to be formed. Vector quantization/kmeans data clustering is used to identify key flow features from the temporal history of the raw sinograms. Through the use of multiple absorption features that are measured nearly simultaneously, an approximate two-dimensional image can be formed. This image can be further refined through the use of an optimal set of basis functions that can be derived from a set of CFD simulations that describes the flow shapes.

  16. Implementation of Multiple Spectroscopic Techniques to Simultaneously Observe Native and Mutated Protein Unfolding

    NASA Astrophysics Data System (ADS)

    Cull, Brennan; Ben, Kelty; Link, Justin

    A protein's natural, correctly folded structure can determine the protein's ability to carry out its function. If the unfolding process of proteins can be observed, then the relative stability can be better understood between native and mutated proteins. A global picture of the unfolding process may be completed through the studies of strategically mutated proteins using tryptophan as a probe. Horse heart cytochrome c, a thoroughly studied, model protein was used in our investigation to explore this idea. Various spectroscopic techniques such as circular dichroism (CD), absorbance, and fluorescence were simultaneously applied while slowly unfolding our protein by increasing the concentration of a chemical denaturant, guanidine hydrochloride. This provided us information about the thermodynamic properties of the protein and several mutants which can then be interpreted to gain relative stability information among mutations. Efforts to utilize these techniques on native and mutated proteins in comparison to current scientific unfolding theories will be presented in this session.

  17. Nonintrusive spectroscopic techniques for supersonic/hypersonic aerodynamics and combustion diagnostics

    NASA Technical Reports Server (NTRS)

    Exton, R. J.

    1992-01-01

    This paper presents an overview of the primary nonintrusive diagnostic techniques being developed by the NASA Langley Research Center to address the validation needs of Computational Fluid Dynamic (CFD) codes. The techniques include absorption in the UV and IR, Laser Induced Fluorescence, electron beam fluorescence, and a number of scattering techniques including Rayleigh, spontaneous Raman, and several coherent Raman spectroscopies. Most of the techniques are highly specialized, require complex data interpretation, and can satisfy only a few of the CFD needs. For these reasons, the evolving trend in flowfield diagnostics appears to favor a mode in which the diagnostic researcher, the experimental aerodynamicist, and the CFD community jointly define experiments based on the aeronautical requirements and on available diagnostic techniques.

  18. Absorption measurement of thin films by using photothermal techniques: The influence of thermal properties

    SciTech Connect

    Wu, Z.L.; Kuo, P.K.; Thomas, R.L.; Fan, Z.X.

    1995-12-31

    Photothermal techniques are widely used for measuring optical absorption of thin film coatings. In these applications the calibration of photothermal signal is typically based on the assumption that the thermal properties of the thin film make very little contribution. In this paper we take mirage technique as an example and present a detailed analysis of the influence of thin film thermal properties on absorption measurements. The results show that the traditional calibration method is not valid on surprisingly many situations.

  19. Absorption spectroscopic study of synergistic extraction of praseodymium with benzoyl acetone in presence of crown ether.

    PubMed

    Banerjee, Shrabanti; Bhattacharya, Sumanta; Basu, Sukalyan

    2005-04-01

    The extraction behaviour of Pr(III) from aqueous nitric acid medium employing benzoylacetone has been studied in presence of two crown ethers, viz., 15-crown-5 and benzo-15-crown-5 in chloroform medium using UV-vis absorption spectroscopy. The binary equilibrium constant (logk(ex)) for the complex [Pr(benzoylacetonate)(NO3(-))2(H(2)O)] in organic phase was found to be 1.170. The overall equilibrium constants (logK) for the ternary species [Pr(benzoylacetonate)(crown ether)(NO3(-))(2)] were estimated to be 4.01 and 4.41 for 15-crown-5 and benzo-15-crown-5, respectively. The trend in the equilibrium constant values were very much in accordance with the nature of substitution of the donor moiety. The extraction of Pr(III) by the benzoylacetone-crown ether combination was maximum at pH 3.0 and extraction decreases with increase in pH. It has been found that the extent of extraction of Pr(III) in organic phase as the binary as well as ternary complex [Pr(benzoylacetonate)(NO3(-))(2)(H(2)O)] and [Pr(benzoylacetonate)(crown ether)(NO3(-))(2)] increases with increase in concentration of the ligand. Similar trend is observed in the extraction by only donors. Enthalpies and entropies of formation for the ternary extraction process have been estimated. In addition, the effect of NaNO(3) as foreign salt was also studied and it was observed that with increase in ionic strength, percentage extraction increases.

  20. Dielectric studies of boron sub phthalocyanine chloride thin films by admittance spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Kalia, Sameer; Mahajan, Aman; Neerja, Sharma, Anshul Kumar; Kumar, Sanjeev; Bedi, R. K.

    2016-05-01

    The dielectric properties of Boron Sub Phthalocyanine Chloride (Cl-SubPc) thermally deposited on ITO substrate have been studied using admittance spectroscopic techniques. The I-V and capacitance -frequency (C-F) studies at various bias voltages reveal that the mobility of charge carriers decrease with bias voltage, however the conduction phenomenon still remain hopping in nature. From the differential susceptance curve, the contribution of the Schottky barrier contact in the charge carrier concentration was found to be absent. The mobility of charge carriers have been determined using differential susceptance variation and from the phase of admittance curve. The values obtained in two cases have been found to be in agreement with each other.

  1. Thiourea recognition by 2,6-bis(2-benzimidazolyl)pyridine using spectroscopic techniques and DFT

    NASA Astrophysics Data System (ADS)

    Chetia, Bolin; Goutam, Prasanta J.; Chipem, Francis A. S.; Iyer, Parameswar K.

    2013-06-01

    Recognition of thiourea by 2,6-bis(2-benzimidazolyl)pyridine, bbp, a neutral tridentate ligand was studied by UV visible and fluorescence spectroscopic techniques. FTIR spectroscopy and supportive DFT calculations established that, thiourea molecule, while bound to the binding site of bbp took up a near perpendicular orientation to the plane of the receptor. While forming the complex, the two imidazole H atoms present in the binding site of bbp formed two weak interactions with S atom of thiourea, which has low electronegativity. Moreover, bigger size of S atom restricted approach of thiourea inside the binding site. Stability of the bbp:thiourea complex basically increased as one of the imine H atom of thiourea is involved in a hydrogen bond with the pyridine N atom of bbp, which forced the near perpendicular orientation of thiourea on the plane of bbp. This binding mode is significantly different from the binding mode of urea with bbp as reported earlier.

  2. Corrosion detection in steel-reinforced concrete using a spectroscopic technique

    NASA Astrophysics Data System (ADS)

    Garboczi, E. J.; Stutzman, P. E.; Wang, S.; Martys, N. S.; Hassan, A. M.; Duthinh, D.; Provenzano, V.; Chou, S. G.; Plusquellic, D. F.; Surek, J. T.; Kim, S.; McMichael, R. D.; Stiles, M. D.

    2014-02-01

    Detecting the early corrosion of steel that is embedded in reinforced concrete (rebar) is a goal that would greatly facilitate the inspection and measurement of corrosion in the US physical infrastructure. Since 2010, the National Institute of Standards and Technology (NIST) has been working on a large project to develop an electromagnetic (EM) probe that detects the specific corrosion products via spectroscopic means. Several principal iron corrosion products, such as hematite and goethite, are antiferromagnetic at field temperatures. At a given applied EM frequency, which depends on temperature, these compounds undergo a unique absorption resonance that identifies the presence of these particular iron corrosion products. The frequency of the resonances tends to be on the order of 100 GHz or higher, so transmitting EM waves through the cover concrete and back out again at a detectable level has been challenging. NIST has successfully detected these two iron corrosion products, and is developing equipment and methodologies that will be capable of penetrating the typical 50 mm of cover concrete in the field. The novel part of this project is the detection of specific compounds, rather than only geometrical changes in rebar cross-section. This method has the potential of providing an early-corrosion probe for steel in reinforced concrete, and for other applications where steel is covered by various layers and coatings.

  3. High-Throughput Structure/Function Screening of Materials and Catalysts with Multiple Spectroscopic Techniques

    SciTech Connect

    Tromp, Moniek; Russu, Sergio; Russell, Andrea E.; Guerin, Sam; Hayden, Brian E.; Suchsland, Jens-Peter; Frey, Jeremy G.; Binsted, Norman; Dent, Andy J.; Mosselmans, J. Fred W.; Harvey, Ian; Hayama, Shu; Fiddy, Steven; Meacham, Ken; Surridge, Michael; Tsapatsaris, Nikolaos; Beesley, Angela M.; Schroeder, Sven L. M.; Newton, Mark A.; Safonova, Olga V.

    2007-02-02

    High throughput screening methodologies are expanded to synchrotron based x-ray absorption techniques. An environmental chamber, based on ultra-high vacuum equipment, has been developed allowing in situ studies on arrays of samples while X-ray absorption fine structure spectroscopy, Raman spectroscopy, mass spectrometry and/or X-ray diffraction can be applied simultaneously to characterize the system under process conditions in a time-resolved manner. The chamber accommodates a diverse range of samples from surface science to materials chemistry to heterogeneous catalysis. Data acquisition and data logging software is developed to handle large quantities of divers but related information. New data logging, processing and analysis procedures and programs are developed which will allow fast structure-function relationships characterization.

  4. Nondestructive spectroscopic and imaging techniques for quality evaluation and assessment of fish and fish products.

    PubMed

    He, Hong-Ju; Wu, Di; Sun, Da-Wen

    2015-01-01

    Nowadays, people have increasingly realized the importance of acquiring high quality and nutritional values of fish and fish products in their daily diet. Quality evaluation and assessment are always expected and conducted by using rapid and nondestructive methods in order to satisfy both producers and consumers. During the past two decades, spectroscopic and imaging techniques have been developed to nondestructively estimate and measure quality attributes of fish and fish products. Among these noninvasive methods, visible/near-infrared (VIS/NIR) spectroscopy, computer/machine vision, and hyperspectral imaging have been regarded as powerful and effective analytical tools for fish quality analysis and control. VIS/NIR spectroscopy has been widely applied to determine intrinsic quality characteristics of fish samples, such as moisture, protein, fat, and salt. Computer/machine vision on the other hand mainly focuses on the estimation of external features like color, weight, size, and surface defects. Recently, by incorporating both spectroscopy and imaging techniques in one system, hyperspectral imaging cannot only measure the contents of different quality attributes simultaneously, but also obtain the spatial distribution of such attributes when the quality of fish samples are evaluated and measured. This paper systematically reviews the research advances of these three nondestructive optical techniques in the application of fish quality evaluation and determination and discuss future trends in the developments of nondestructive technologies for further quality characterization in fish and fish products.

  5. Micro-spectroscopic techniques applied to characterization of varnished archeological findings

    NASA Astrophysics Data System (ADS)

    Barone, G.; Ioppolo, S.; Majolino, D.; Migliardo, P.; Ponterio, R.

    2000-04-01

    This work reports an analysis on terracotta varnished finding recovered in east Sicily area (Messina). We have performed FTIR micro-spectroscopy and electronic microscopy (SEM)measurements in order to recognize the elemental constituents of the varnished surfaces. Furthermore, for all the samples, a study on the bulk has been performed by Fourier Transform Infrared Absorption. The analyzed samples consist of a number of pottery fragments belonging to archaic and classical ages, varnished in black and red colors. The obtained data furnished useful information about composition of decorated surfaces and bulk matrixes, about baking temperature, manufacture techniques and alteration mechanisms of findings due to the long burial.

  6. Feasibility of measuring density and temperature of laser produced plasmas using spectroscopic techniques.

    SciTech Connect

    Edens, Aaron D.

    2008-09-01

    A wide variety of experiments on the Z-Beamlet laser involve the creation of laser produced plasmas. Having a direct measurement of the density and temperature of these plasma would an extremely useful tool, as understanding how these quantities evolve in space and time gives insight into the causes of changes in other physical processes, such as x-ray generation and opacity. We propose to investigate the possibility of diagnosing the density and temperature of laser-produced plasma using temporally and spatially resolved spectroscopic techniques that are similar to ones that have been successfully fielded on other systems. Various researchers have measured the density and temperature of laboratory plasmas by looking at the width and intensity ratio of various characteristic lines in gases such as nitrogen and hydrogen, as well as in plasmas produced off of solid targets such as zinc. The plasma conditions produce two major measurable effects on the characteristic spectral lines of that plasma. The 1st is the Stark broadening of an individual line, which depends on the electron density of the plasma, with higher densities leading to broader lines. The second effect is a change in the ratio of various lines in the plasma corresponding to different ionization states. By looking at the ratio of these lines, we can gain some understanding of the plasma ionization state and consequently its temperature (and ion density when coupled with the broadening measurement). The hotter a plasma is, the higher greater the intensity of lines corresponding to higher ionization states. We would like to investigate fielding a system on the Z-Beamlet laser chamber to spectroscopically study laser produced plasmas from different material targets.

  7. Reactivity of Chromium(III) Nutritional Supplements in Biological Media: An X-Ray Absorption Spectroscopic Study

    SciTech Connect

    Nguyen, A.; Mulyani, I.; Levina, A.; Lay, P.A.

    2009-05-22

    Chromium(III) nutritional supplements are widely used due to their purported ability to enhance glucose metabolism, despite growing evidence on low activity and the potential genotoxicity of these compounds. Reactivities of Cr(III) complexes used in nutritional formulations, including [Cr3O(OCOEt)6(OH2)3]+ (A), [Cr(pic)3] (pic) = 2-pyridinecarboxylato(-) (B), and trans-[CrCl2(OH2)4]+ (CrCl3 {center_dot} 6H2O; C), in a range of natural and simulated biological media (artificial digestion systems, blood and its components, cell culture media, and intact L6 rat skeletal muscle cells) were studied by X-ray absorption near-edge structure (XANES) spectroscopy. The XANES spectroscopic data were processed by multiple linear-regression analyses with the use of a library of model Cr(III) compounds, and the results were corroborated by the results of X-ray absorption fine structure spectroscopy and electrospray mass spectrometry. Complexes A and B underwent extensive ligand-exchange reactions under conditions of combined gastric and intestinal digestion (in the presence of a semisynthetic meal, 3 h at 310 K), as well as in blood serum and in a cell culture medium (1-24 h at 310 K), with the formation of Cr(III) complexes with hydroxo and amino acid/protein ligands. Reactions of compounds A-C with cultured muscle cells led to similar ligand-exchange products, with at least part of Cr(III) bound to the surface of the cells. The reactions of B with serum greatly enhanced its propensity to be converted to Cr(VI) by biological oxidants (H2O2 or glucose oxidase system), which is proposed to be a major cause of both the insulin-enhancing activity and toxicity of Cr(III) compounds (Mulyani, I.; Levina, A.; Lay, P. A. Angew. Chem. Int. Ed. 2004, 43, 4504-4507). This finding enhances the current concern over the safety of consumption of large doses of Cr(III) supplements, particularly [Cr(pic)3].

  8. Sound absorption by suspensions of nonspherical particles: measurements compared with predictions using various particle sizing techniques.

    PubMed

    Richards, Simon D; Leighton, Timothy G; Brown, Niven R

    2003-10-01

    Knowledge of the particle size distribution is required in order to predict ultrasonic absorption in polydisperse particulate suspensions. This paper shows that the method used to measure the particle size distribution can lead to important differences in the predicted absorption. A reverberation technique developed for measuring ultrasonic absorption by suspended particles is used to measure the absorption in suspensions of nonspherical particles. Two types of particulates are studied: (i) kaolin (china clay) particles which are platelike in form; and (ii) calcium carbonate particles which are more granular. Results are compared to theoretical predictions of visco-inertial absorption by suspensions of spherical particles. The particle size distributions, which are required for these predictions, are measured by laser diffraction, gravitational sedimentation and centrifugal sedimentation, all of which assume spherical particles. For a given sample, each sizing technique yields a different size distribution, leading to differences in the predicted absorption. The particle size distributions obtained by gravitational and centrifugal sedimentation are reinterpreted to yield a representative size distribution of oblate spheroids, and predictions for absorption by these spheroids are compared with the measurements. Good agreement between theory and measurement for the flat kaolin particles is obtained, demonstrating that these particles can be adequately represented by oblate spheroids. PMID:14587585

  9. Application of spectroscopic techniques for the analysis of kidney stones: a pilot study

    NASA Astrophysics Data System (ADS)

    Shameem, K. M., Muhammed; Chawla, Arun; Bankapur, Aseefhali; Unnikrishnan, V. K.; Santhosh, C.

    2016-03-01

    Identification and characterization of kidney stone remains one of the important analytical tasks in the medical field. Kidney stone is a common health complication throughout the world, which may cause severe pain, obstruction and infection of urinary tract, and can lead to complete renal damage. It commonly occurs in both sexes regardless of age. Kidney stones have different composition, although each stones have a major single characteristic component. A complete understanding of a sample properties and their function can only be feasible by utilizing elemental and molecular information simultaneously. Two laser based analytical techniques; Laser Induced Breakdown spectroscopy (LIBS) and Raman spectroscopy have been used to study different types of kidney stones from different patients. LIBS and Raman spectroscopy are highly complementary spectroscopic techniques, which provide elemental and molecular information of a sample. Q-switched Nd:YAG laser at 355 nm laser having energy 17mJ per pulse at 10 Hz repetition rate was used for getting LIBS spectra. Raman measurements were carried out using a home assembled micro-Raman spectrometer. Using the recorded Raman spectra of kidney stones, we were able to differentiate different kinds of kidney stones. LIBS spectra of the same stones are showing the evidence of C, Ca, H, and O and also suggest the presence of certain pigments.

  10. Planetary Surface Analysis Using Fast Laser Spectroscopic Techniques: Combined Microscopic Raman, LIBS, and Fluorescence Spectroscopy

    NASA Astrophysics Data System (ADS)

    Blacksberg, J.; Rossman, G. R.; Maruyama, Y.; Charbon, E.

    2011-12-01

    In situ exploration of planetary surfaces has to date required multiple techniques that, when used together, yield important information about their formation histories and evolution. We present a time-resolved laser spectroscopic technique that could potentially collect complementary sets of data providing information on mineral structure, composition, and hydration state. Using a picosecond-scale pulsed laser and a fast time-resolved detector we can simultaneously collect spectra from Raman, Laser Induced Breakdown Spectroscopy (LIBS), and fluorescence emissions that are separated in time due to the unique decay times of each process. The use of a laser with high rep rate (40 KHz) and low pulse energy (1 μJ/pulse) allows us to rapidly collect high signal to noise Raman spectra while minimizing sample damage. Increasing the pulse energy by about an order of magnitude creates a microscopic plasma near the surface and enables the collection of LIBS spectra at an unusually high rep rate and low pulse energy. Simultaneously, broader fluorescence peaks can be detected with lifetimes varying from nanosecond to microsecond. We will present Raman, LIBS, and fluorescence spectra obtained on natural mineral samples such as sulfates, clays, pyroxenes and carbonates that are of interest for Mars mineralogy. We demonstrate this technique using a photocathode-based streak camera detector as well as a newly-developed solid state Single Photon Avalanche Diode (SPAD) sensor array based on Complementary Metal-Oxide Semiconductor (CMOS) technology. We will discuss the impact of system design and detector choice on science return of a potential planetary surface mission, with a specific focus on size, weight, power, and complexity. The research described here was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration (NASA).

  11. Soil examination for a forensic trace evidence laboratory--Part 1: Spectroscopic techniques.

    PubMed

    Woods, Brenda; Lennard, Chris; Kirkbride, K Paul; Robertson, James

    2014-12-01

    In the past, forensic soil examination was a routine aspect of trace evidence examination in forensic science. However, in Australia, the apparent need for soil examinations has diminished and with it the capability of forensic science laboratories to carry out soil examination has been eroded. In recent years, due to soil examinations contributing to some high profile investigations, interest in soil examinations has been renewed. Routine soil examinations conducted in a forensic science laboratory by trace evidence scientists can be facilitated if the examinations are conducted using the instrumentation routinely used by these examiners. Spectroscopic techniques such as visible microspectrophotometry (MSP) and Attenuated Total Reflectance (ATR) Fourier Transform Infrared spectroscopy (FTIR) are routinely used by trace evidence analysts for the colour and compositional analysis, respectively, of forensic items, including paints, fibres, inks and toners, tapes, adhesives and other miscellaneous examinations. This article presents an examination of the feasibility of using MSP and ATR-FTIR as a first step in the forensic comparison of soils with particular reference to Australian soil samples. This initial study demonstrates MSP and ATR-FTIR can effectively be used as a screening test for the discrimination of "forensic-sized" soil samples prior to submission for more detailed analyses by a soil expert. PMID:25205526

  12. Spectroscopic technique with wide range of wavelength information improves near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Eda, Hideo; Aoki, Hiromichi; Eura, Shigeru; Ebe, Kazutoshi

    2009-02-01

    Near-infrared spectroscopy (NIRS) calculates hemoglobin parameters, such as oxygenated hemoglobin (oxyHb) and deoxygenated hemoglobin (deoxyHb) using the near-infrared light around the wavelength of 800nm. This is based on the modified-Lambert-Beer's law that changes in absorbance are proportional to changes in hemoglobin parameters. Many conventional measurement methods uses only a few wavelengths, however, in this research, basic examination of NIRS measurement was approached by acquiring wide range of wavelength information. Venous occlusion test was performed by using the blood pressure cuff around the upper arm. Pressure of 100mmHg was then applied for about 3 minutes. During the venous occlusion, the spectrum of the lower arm muscles was measured every 15 seconds, within the range of 600 to 1100nm. It was found that other wavelength bands hold information correlating to this venous occlusion task. Technique of improving the performance of NIRS measurement using the Spectroscopic Method is very important for Brain science.

  13. Integrated Analysis of the Wood Oil from Xanthocyparis vietnamensis Farjon & Hiep. by Chromatographic and Spectroscopic Techniques.

    PubMed

    Bazzali, Ophélie; Thai, Tran Huy; Hoi, Tran Minh; Khang, Nguyen Sinh; Hien, Nguyen Thi; Casanova, Joseph; Bighelli, Ange; Tomi, Félix

    2016-06-27

    In order to get better knowledge about the volatiles produced by Xanthocyparis vietnamensis, a species recently discovered in Vietnam, its wood oil has been analyzed by a combination of chromatographic (GC, CC) and spectroscopic (GC-MS, (13)C-NMR) techniques. Forty components that accounted for 87.9% of the oil composition have been identified. The composition is dominated by nootkatene (20.7%), 11,12,13-tri-nor-eremophil-1(10)-en-7-one (17.2%), γ-eudesmol (5.1%), nootkatone (4.7%), valencene (3.5%) and 13-nor-eremophil-1(10)-en-11-one (2.6%). The structure of two new compounds-10-epi-nor-γ-eudesmen-11-one and 12-hydroxy-isodihydroagarofuran-has been elucidated, while 11,12,13-tri-nor-eremophil-1(10)-en-7-ol is reported as a natural product for the first time. The composition of X. vietnamensis wood oil varied drastically from those of leaf oils, dominated by hedycaryol (34.4%), phyllocladene (37.8%) or by pimara-6(14)-15-diene (19.4%).

  14. Optical Waveguide Lightmode Spectroscopic Techniques for Investigating Membrane-Bound Ion Channel Activities

    PubMed Central

    Székács, Inna; Kaszás, Nóra; Gróf, Pál; Erdélyi, Katalin; Szendrő, István; Mihalik, Balázs; Pataki, Ágnes; Antoni, Ferenc A.; Madarász, Emilia

    2013-01-01

    Optical waveguide lightmode spectroscopic (OWLS) techniques were probed for monitoring ion permeation through channels incorporated into artificial lipid environment. A novel sensor set-up was developed by depositing liposomes or cell-derived membrane fragments onto hydrophilic polytetrafluoroethylene (PTFE) membrane. The fibrous material of PTFE membrane could entrap lipoid vesicles and the water-filled pores provided environment for the hydrophilic domains of lipid-embedded proteins. The sensor surface was kept clean from the lipid holder PTFE membrane by a water- and ion-permeable polyethylene terephthalate (PET) mesh. The sensor set-up was tested with egg yolk lecithin liposomes containing gramicidin ion channels and with cell-derived membrane fragments enriched in GABA-gated anion channels. The method allowed monitoring the move of Na+ and organic cations through gramicidin channels and detecting the Cl–-channel functions of the (α5β2γ2) GABAA receptor in the presence or absence of GABA and the competitive GABA-blocker bicuculline. PMID:24339925

  15. Structural studies of E. coli ribosomes by spectroscopic techniques: A specialized review

    NASA Astrophysics Data System (ADS)

    Bonicontro, Adalberto; Risuleo, Gianfranco

    2005-12-01

    We present a review on our interdisciplinary line of research based on strategies of molecular biology and biophysics. These have been applied to the study of the prokaryotic ribosome of the bacterium Escherichia coli. Our investigations on this organelle have continued for more than a decade and we have adopted different spectroscopic biophysical techniques such as: dielectric and fluorescence spectroscopy as well as light scattering (photon correlation spectroscopy). Here we report studies on the whole 70S ribosomes and on the separated subunits 30S and 50S. Our results evidence intrinsic structural features of the subunits: the small shows a more "floppy" structure, while the large one appears to be more rigid. Also, an inner "kernel" formed by the RNA/protein association is found within the ribosome. This kernel is surrounded by a ribonucleoprotein complex more exposed to the solvent. Initial analyses were done on the so called Kaldtschmit-Wittmann ribosome: more recently we have extended the studies to the "tight couple" ribosome known for its better functional performance in vitro. Data evidence a phenomenological correlation between the differential biological activity and the intrinsic structural properties of the two-ribosome species. Finally, investigations were also conducted on particles treated at sub-denaturing temperatures and on ribosomes partially deproteinized by salt treatment (ribosomal cores). Results suggest that the thermal treatment and the selective removal of proteins cause analogous structural alterations.

  16. Integrated Analysis of the Wood Oil from Xanthocyparis vietnamensis Farjon & Hiep. by Chromatographic and Spectroscopic Techniques.

    PubMed

    Bazzali, Ophélie; Thai, Tran Huy; Hoi, Tran Minh; Khang, Nguyen Sinh; Hien, Nguyen Thi; Casanova, Joseph; Bighelli, Ange; Tomi, Félix

    2016-01-01

    In order to get better knowledge about the volatiles produced by Xanthocyparis vietnamensis, a species recently discovered in Vietnam, its wood oil has been analyzed by a combination of chromatographic (GC, CC) and spectroscopic (GC-MS, (13)C-NMR) techniques. Forty components that accounted for 87.9% of the oil composition have been identified. The composition is dominated by nootkatene (20.7%), 11,12,13-tri-nor-eremophil-1(10)-en-7-one (17.2%), γ-eudesmol (5.1%), nootkatone (4.7%), valencene (3.5%) and 13-nor-eremophil-1(10)-en-11-one (2.6%). The structure of two new compounds-10-epi-nor-γ-eudesmen-11-one and 12-hydroxy-isodihydroagarofuran-has been elucidated, while 11,12,13-tri-nor-eremophil-1(10)-en-7-ol is reported as a natural product for the first time. The composition of X. vietnamensis wood oil varied drastically from those of leaf oils, dominated by hedycaryol (34.4%), phyllocladene (37.8%) or by pimara-6(14)-15-diene (19.4%). PMID:27355937

  17. Soil examination for a forensic trace evidence laboratory--Part 1: Spectroscopic techniques.

    PubMed

    Woods, Brenda; Lennard, Chris; Kirkbride, K Paul; Robertson, James

    2014-12-01

    In the past, forensic soil examination was a routine aspect of trace evidence examination in forensic science. However, in Australia, the apparent need for soil examinations has diminished and with it the capability of forensic science laboratories to carry out soil examination has been eroded. In recent years, due to soil examinations contributing to some high profile investigations, interest in soil examinations has been renewed. Routine soil examinations conducted in a forensic science laboratory by trace evidence scientists can be facilitated if the examinations are conducted using the instrumentation routinely used by these examiners. Spectroscopic techniques such as visible microspectrophotometry (MSP) and Attenuated Total Reflectance (ATR) Fourier Transform Infrared spectroscopy (FTIR) are routinely used by trace evidence analysts for the colour and compositional analysis, respectively, of forensic items, including paints, fibres, inks and toners, tapes, adhesives and other miscellaneous examinations. This article presents an examination of the feasibility of using MSP and ATR-FTIR as a first step in the forensic comparison of soils with particular reference to Australian soil samples. This initial study demonstrates MSP and ATR-FTIR can effectively be used as a screening test for the discrimination of "forensic-sized" soil samples prior to submission for more detailed analyses by a soil expert.

  18. A computationally assisted spectroscopic technique to measure secondary electron emission coefficients in radio frequency plasmas

    NASA Astrophysics Data System (ADS)

    Daksha, M.; Berger, B.; Schuengel, E.; Korolov, I.; Derzsi, A.; Koepke, M.; Donkó, Z.; Schulze, J.

    2016-06-01

    A computationally assisted spectroscopic technique to measure secondary electron emission coefficients (γ-CAST) in capacitively-coupled radio-frequency plasmas is proposed. This non-intrusive, sensitive diagnostic is based on a combination of phase resolved optical emission spectroscopy and particle-based kinetic simulations. In such plasmas (under most conditions in electropositive gases) the spatio-temporally resolved electron-impact excitation/ionization rate features two distinct maxima adjacent to each electrode at different times within each RF period. While one maximum is the consequence of the energy gain of electrons due to sheath expansion, the second maximum is produced by secondary electrons accelerated towards the plasma bulk by the sheath electric field at the time of maximum voltage drop across the adjacent sheath. Due to these different excitation/ionization mechanisms, the ratio of the intensities of these maxima is very sensitive to the secondary electron emission coefficient γ. This sensitvity, in turn, allows γ to be determined by comparing experimental excitation profiles and simulation data obtained with various γ-coefficients. The diagnostic, tested here in a geometrically symmetric argon discharge, yields an effective secondary electron emission coefficient of γ =0.066+/- 0.01 for stainless steel electrodes.

  19. Innovative combination of spectroscopic techniques to reveal nanoparticle fate in a crop plant

    NASA Astrophysics Data System (ADS)

    Larue, Camille; Castillo-Michel, Hiram; Stein, Ricardo J.; Fayard, Barbara; Pouyet, Emeline; Villanova, Julie; Magnin, Valérie; Pradas del Real, Ana-Elena; Trcera, Nicolas; Legros, Samuel; Sorieul, Stéphanie; Sarret, Géraldine

    2016-05-01

    Nanotechnology is the new industrial revolution of our century. Its development leads to an increasing use of nanoparticles and thus to their dissemination. Their fate in the environment is of great concern and especially their possible transfer in trophic chains might be an issue for food safety. However, so far our knowledge on this topic has been restricted by the lack of appropriate techniques to characterize their behavior in complex matrices. Here, we present in detail the use of cutting-edge beam-based techniques for nanoparticle in situ localization, quantification and speciation in a crop plant species (Lactuca sativa). Lettuce seedlings have been exposed to TiO2 and Ag nanoparticles and analyzed by inductively coupled plasma spectrometry, micro-particle induced X-ray emission coupled to Rutherford backscattering spectroscopy on nuclear microprobe, micro-X-ray fluorescence spectroscopy and X-ray absorption near edge structure spectroscopy. The benefits and drawbacks of each technique are discussed, and the types of information that can be drawn, for example on the translocation to edible parts, change of speciation within the plant, detoxification mechanisms, or impact on the plant ionome, are highlighted. Such type of coupled approach would be an asset for nanoparticle risk assessment.

  20. Measurement of the absorption coefficient of a glucose solution through transmission of light and polarymetry techniques

    NASA Astrophysics Data System (ADS)

    Yáñez M., J.

    2011-10-01

    Diabetes is a disease with no cure, but can be controlled to improve the quality of life of sufferers. Currently there are means to control, but this means they have the disadvantage that in order to measure the amount of glucose is necessary to take blood samples that are painful. This paper presents a system for measuring glucose using non-invasive optical techniques: using absorption spectroscopy and polarimetry technique. It shows the results obtained from experiments done on samples containing distilled water and different amounts of glucose to study the absorption coefficient of glucose with both techniques. Water is used because it is one of the main elements in the blood and interferes with glucose measurement. This experiment will develop a prototype to measure glucose through a non-invasive technique.

  1. A quality control technique based on UV-VIS absorption spectroscopy for tequila distillery factories

    NASA Astrophysics Data System (ADS)

    Barbosa Garcia, O.; Ramos Ortiz, G.; Maldonado, J. L.; Pichardo Molina, J.; Meneses Nava, M. A.; Landgrave, Enrique; Cervantes, M. J.

    2006-02-01

    A low cost technique based on the UV-VIS absorption spectroscopy is presented for the quality control of the spirit drink known as tequila. It is shown that such spectra offer enough information to discriminate a given spirit drink from a group of bottled commercial tequilas. The technique was applied to white tequilas. Contrary to the reference analytic methods, such as chromatography, for this technique neither special personal training nor sophisticated instrumentations is required. By using hand-held instrumentation this technique can be applied in situ during the production process.

  2. A nearly on-axis spectroscopic system for simultaneously measuring UV-visible absorption and X-ray diffraction in the SPring-8 structural genomics beamline.

    PubMed

    Sakaguchi, Miyuki; Kimura, Tetsunari; Nishida, Takuma; Tosha, Takehiko; Sugimoto, Hiroshi; Yamaguchi, Yoshihiro; Yanagisawa, Sachiko; Ueno, Go; Murakami, Hironori; Ago, Hideo; Yamamoto, Masaki; Ogura, Takashi; Shiro, Yoshitsugu; Kubo, Minoru

    2016-01-01

    UV-visible absorption spectroscopy is useful for probing the electronic and structural changes of protein active sites, and thus the on-line combination of X-ray diffraction and spectroscopic analysis is increasingly being applied. Herein, a novel absorption spectrometer was developed at SPring-8 BL26B2 with a nearly on-axis geometry between the X-ray and optical axes. A small prism mirror was placed near the X-ray beamstop to pass the light only 2° off the X-ray beam, enabling spectroscopic analysis of the X-ray-exposed volume of a crystal during X-ray diffraction data collection. The spectrometer was applied to NO reductase, a heme enzyme that catalyzes NO reduction to N2O. Radiation damage to the heme was monitored in real time during X-ray irradiation by evaluating the absorption spectral changes. Moreover, NO binding to the heme was probed via caged NO photolysis with UV light, demonstrating the extended capability of the spectrometer for intermediate analysis.

  3. [Application of Raman spectroscopic technique to the identification and investigation of Chinese ancient jades and jade artifacts].

    PubMed

    Zhao, Hong-Xia; Gan, Fu-Xi

    2009-11-01

    Laser Raman spectroscopic technique is one of the essential methods in scientific archaeological research, which belongs to the nondestructive analysis. As a very good nondestructive analysis approach, it has not been widely applied in the research of the Chinese ancient jade artifacts. First of all in the present paper the fundamentals of laser Raman spectroscopic technique and the new research progress in this field were reviewed. Secondly, the Raman spectra of five familiar jades including nephrite (mainly composed of tremolite), Xiuyan Jade (mainly composed of serpentine), Dushan Jade (mainly composed of anorthite and Zoisite), turquoise and lapis lazuli were summarized respectively. As for an example, the Raman spectra of the four Chinese ancient jade artifacts excavated from Liangzhu Site of Zhejiang Province and Yinxu Site of Anyang in Henan Province were compared with that of the nephrite sample in Hetian of Xinjiang Province. It was shown that the Raman spectroscopic technique is a good nondestructive approach to the identification and investigation of the structures and mineral composition of Chinese ancient jade artifacts. Finally, the limitations and the foreground of this technique were discussed. PMID:20101970

  4. [Application of Raman spectroscopic technique to the identification and investigation of Chinese ancient jades and jade artifacts].

    PubMed

    Zhao, Hong-Xia; Gan, Fu-Xi

    2009-11-01

    Laser Raman spectroscopic technique is one of the essential methods in scientific archaeological research, which belongs to the nondestructive analysis. As a very good nondestructive analysis approach, it has not been widely applied in the research of the Chinese ancient jade artifacts. First of all in the present paper the fundamentals of laser Raman spectroscopic technique and the new research progress in this field were reviewed. Secondly, the Raman spectra of five familiar jades including nephrite (mainly composed of tremolite), Xiuyan Jade (mainly composed of serpentine), Dushan Jade (mainly composed of anorthite and Zoisite), turquoise and lapis lazuli were summarized respectively. As for an example, the Raman spectra of the four Chinese ancient jade artifacts excavated from Liangzhu Site of Zhejiang Province and Yinxu Site of Anyang in Henan Province were compared with that of the nephrite sample in Hetian of Xinjiang Province. It was shown that the Raman spectroscopic technique is a good nondestructive approach to the identification and investigation of the structures and mineral composition of Chinese ancient jade artifacts. Finally, the limitations and the foreground of this technique were discussed.

  5. A new technique to assess dermal absorption of volatile chemicals in vitro by thermal gravimetric analysis.

    PubMed

    Rauma, Matias; Isaksson, Tina S; Johanson, Gunnar

    2006-10-01

    Potential health hazards of dermal exposure, variability in reported dermal absorption rates and potential losses from the skin by evaporation indicate a need for a simple, inexpensive and standardized procedure to measure dermal absorption and desorption of chemical substances. The aim of this study was to explore the possibility to measure dermal absorption and desorption of volatile chemicals using a new gravimetric technique, namely thermal gravimetric analysis (TGA), and trypsinated stratum corneum from pig. Changes in skin weight were readily detected before, during and after exposure to vapours of water, 2-propanol, methanol and toluene. The shape and height of the weight curves differed between the four chemicals, reflecting differences in diffusivity and partial pressure and skin:air partitioning, respectively. As the skin weight is highly sensitive to the partial pressure of volatile chemicals, including water, this technique requires carefully controlled conditions with respect to air flow, temperature, chemical vapour generation and humidity. This new technique may help in the assessment of dermal uptake of volatile chemicals. Only a small piece of skin is needed and skin integrity is not necessary, facilitating the use of human samples. The high resolution weight-time curves obtained may also help to elucidate the characteristics of absorption, desorption and diffusion of chemicals in skin.

  6. Differential absorption lidar technique for measurement of the atmospheric pressure profile

    NASA Technical Reports Server (NTRS)

    Korb, C. L.; Weng, C. Y.

    1983-01-01

    A new two-wavelength lidar technique for remotely measuring the pressure profile using the trough absorption region between two strong lines in the oxygen A band is described. The theory of integrated vertical path, differential ranging, and horizontal-path pressure measurements is given, with methods to desensitize and correct for temperature effects. The properties of absorption troughs are described and shown to reduce errors due to laser frequency jitter by up to two orders of magnitude. A general analysis, including laser bandwidth effects, demonstrates that pressure measurements with an integrated-vertical-path technique are typically fifty times more accurate than with a differential ranging technique. Simulations show 0.1-0.3 percent accuracy for ground and Shuttle-based pressure-profile and surface-pressure experiments.

  7. Determination of lipid content of oleaginous microalgal biomass by NMR spectroscopic and GC-MS techniques.

    PubMed

    Sarpal, Amarijt S; Teixeira, Claudia M L L; Silva, Paulo R M; Lima, Gustavo M; Silva, Samantha R; Monteiro, Thays V; Cunha, Valnei S; Daroda, Romeu J

    2015-05-01

    Direct methods based on (1)H NMR spectroscopic techniques have been developed for the determination of neutral lipids (triglycerides and free fatty acids) and polar lipids (glyceroglycolipids/phospholipids) in the solvent extracts of oleaginous microalgal biomasses cultivated on a laboratory scale with two species in different media. The chemical shift assignments observed in the (1)H and (13)C NMR spectra corresponding to unsaturated (C18:N, N = 1-3, C20:3, C20:5, C22:6, epoxy) and saturated (C14-C18) fatty acid ester components in a complex matrix involving overlapped resonances have been unambiguously confirmed by the application of 2D NMR spectroscopy (total correlation spectroscopy and heteronuclear single quantum coherence-total correlation spectroscopy). The study of the effect of a polar lipid matrix on the determination of neutral lipids by an internal reference blending process by a systematic designed experimental protocol has provided absolute quantification. The fatty acid composition of algal extracts was found to be similar to that of vegetable oils containing saturated (C16-C18:0) and unsaturated (C18:N, N = 1-3, C20:N, N = 3-4, C22:6) fatty acids as confirmed by NMR spectroscopy and gas chromatography-mass spectrometry analyses. The NMR methods developed offer great potential for rapid screening of algal strains for generation of algal biomass with the desired lipid content, quality, and potential for biodiesel and value-added polyunsaturated fatty acids in view of the cost economics of the overall cost of generation of the biomass. PMID:25801382

  8. New spectroscopic tools and techniques for characterizing M dwarfs and discovering their planets in the near-infrared

    NASA Astrophysics Data System (ADS)

    Terrien, Ryan C.

    M dwarfs are the least massive and most common stars in the Galaxy. Due to their prevalence and long lifetimes, these diminutive stars play an outsize role in several fields of astronomical study. In particular, it is now known that they commonly host planetary systems, and may be the most common hosts of Earth-size, rocky planets in the habitable zone. A comprehensive understanding of M dwarfs is crucial for understanding the origins and conditions of their planetary systems, including their potential habitability. Such an understanding depends on methods for precisely and accurately measuring their properties. These tools have broader applicability as well, underlying the use of M dwarfs as fossils of Galactic evolution, and helping to constrain the structures and interiors of these stars. The measurement of the fundamental parameters of M dwarfs is encumbered by their spectral complexity. Unlike stars of spectral type F, G, or K that are similar to our G type Sun, whose spectra are dominated by continuum emission and atomic features, the cool atmospheres of M dwarfs are dominated by complex molecular absorption. Another challenge for studies of M dwarfs is that these stars are optically faint, emitting much of their radiation in the near-infrared (NIR). The availability and performance of NIR spectrographs have lagged behind those of optical spectrographs due to the challenges of producing low-noise, high-sensitivity NIR detector arrays, which have only recently become available. This thesis discusses two related lines of work that address these challenges, motivated by the development of the Habitable Zone Planet Finder (HPF), a NIR radial velocity (RV) spectrograph under development at Penn State that will search for and confirm planets around nearby M dwarfs. This work includes the development and application of new NIR spectroscopic techniques for characterizing M dwarfs, and the development and optimization of new NIR instrumentation for HPF. The first line

  9. Spectroscopic Character and Spatial Distribution of Hydroxyl and Water Absorption Features Measured on the Lunar Surface by the Moon Mineralogy Mapper Imaging Spectrometer on Chandrayaan-1

    NASA Astrophysics Data System (ADS)

    Green, R. O.; Pieters, C. M.; Goswami, J.; Clark, R. N.; Annadurai, M.; Boardman, J. W.; Buratti, B. J.; Combe, J.; Dyar, M. D.; Head, J. W.; Hibbitts, C.; Hicks, M.; Isaacson, P.; Klima, R. L.; Kramer, G. Y.; Kumar, S.; Livo, K. E.; Lundeen, S.; Malaret, E.; McCord, T. B.; Mustard, J. F.; Nettles, J. W.; Petro, N. E.; Runyon, C. J.; Staid, M.; Sunshine, J. M.; Taylor, L. A.; Tompkins, S.; Varanasi, P.

    2009-12-01

    The Moon Mineralogy Mapper imaging spectrometer on Chandrayaan-1 has a broad spectral range from 430 to 3000 nm. By design, the range was specified to extend to 3000 nm to allow for possible detection of trace volatile compounds that possess absorption bands near 3000 nm. Soon after acquisition and calibration of a large fraction of the lunar surface in early February 2009, absorption features in the 2700 to 3000 nm region were detected over unexpectedly large regional areas. This extraordinary discovery has withstood extensive re-analysis and falsification efforts. We have concluded these absorption features are fundamentally present in the M3 measurements and are indicators of extensive hydroxyl and water-bearing materials occurring on the surface of the Moon. Based on current analyses, these absorption features appear strongest at high latitudes, but also occur in association with several fresh feldspathic craters. Interestingly, the distribution of these absorption features are not directly correlated with existing neutron spectrometer hydrogen abundance data for the sunlight surface. This may indicate that the formation and retention of hydroxyl and water is an active process largely restricted to the upper most surface. We present the detailed spectroscopic character of these absorption features in the 2700 to 3000 nm spectral region, including selected examples through all levels of measurement processing from raw data to calibrated apparent surface reflectance. In summary we show the measured strength and latitudinal distribution of the absorptions as well as selected localized occurrences in association with fresh feldspathic craters. The presence of hydroxyl and water bearing material over extensive regions of the lunar surface provides a new and unexpected source of volatiles. Options for harvesting these elements directly from the regolith may provide an alternate supply of volatiles for long term human exploration objectives.

  10. Spectrum sensing of trace C(2)H(2) detection in differential optical absorption spectroscopy technique.

    PubMed

    Chen, Xi; Dong, Xiaopeng

    2014-09-10

    An improved algorithm for trace C(2)H(2) detection is presented in this paper. The trace concentration is accurately calculated by focusing on the absorption spectrum from the frequency domain perspective. The advantage of the absorption spectroscopy frequency domain algorithm is its anti-interference capability. First, the influence of the background noise on the minimum detectable concentration is greatly reduced. Second, the time-consuming preprocess of spectra calibration in the differential optical absorption spectroscopy technique is skipped. Experimental results showed the detection limit of 50 ppm is achieved at a lightpath length of 0.2 m. This algorithm can be used in real-time spectrum analysis with high accuracy.

  11. Spectroscopic properties of Bi2ZnOB2O6 single crystals doped with Pr3+ ions: Absorption and luminescence investigations

    NASA Astrophysics Data System (ADS)

    Kasprowicz, D.; Brik, M. G.; Jaroszewski, K.; Pedzinski, T.; Bursa, B.; Głuchowski, P.; Majchrowski, A.; Michalski, E.

    2015-09-01

    Nonlinear optical Bi2ZnOB2O6 single crystals doped with Pr3+ ions were grown using the Kyropoulos method. The absorption and luminescence properties of these new systems were investigated for the first time. The crystals are characterized by the large values of nonlinear optical coefficients. Effective luminescence of the Pr3+ ions makes this system an excellent candidate for the near-infrared (NIR) and/or ultraviolet (UV) to visible (VIS) laser converters. Based on the obtained experimental spectroscopic data, detailed analysis of the absorption and luminescence spectra was performed using the conventional Judd-Ofelt theory. Those transitions, which can be potentially used for laser applications of the Pr3+ ion, have been identified. In addition to the intensity parameters Ω2, Ω4, Ω6 the branching ratios and radiative lifetimes were estimated for all possible transitions in the studied spectral region.

  12. Different speciation for bromine in brown and red algae, revealed by in vivo X-ray absorption spectroscopic studies.

    PubMed

    Küpper, Frithjof C; Leblanc, Catherine; Meyer-Klaucke, Wolfram; Potin, Philippe; Feiters, Martin C

    2014-08-01

    Members of various algal lineages are known to be strong producers of atmospherically relevant halogen emissions, that is a consequence of their capability to store and metabolize halogens. This study uses a noninvasive, synchrotron-based technique, X-ray absorption spectroscopy, for addressing in vivo bromine speciation in the brown algae Ectocarpus siliculosus, Ascophyllum nodosum, and Fucus serratus, the red algae Gracilaria dura, G. gracilis, Chondrus crispus, Osmundea pinnatifida, Asparagopsis armata, Polysiphonia elongata, and Corallina officinalis, the diatom Thalassiosira rotula, the dinoflagellate Lingulodinium polyedrum and a natural phytoplankton sample. The results highlight a diversity of fundamentally different bromine storage modes: while most of the stramenopile representatives and the dinoflagellate store mostly bromide, there is evidence for Br incorporated in nonaromatic hydrocarbons in Thalassiosira. Red algae operate various organic bromine stores - including a possible precursor (by the haloform reaction) for bromoform in Asparagopsis and aromatically bound Br in Polysiphonia and Corallina. Large fractions of the bromine in the red algae G. dura and C. crispus and the brown alga F. serratus are present as Br(-) defects in solid KCl, similar to what was reported earlier for Laminaria parts. These results are discussed according to different defensive strategies that are used within algal taxa to cope with biotic or abiotic stresses. PMID:26988449

  13. Different speciation for bromine in brown and red algae, revealed by in vivo X-ray absorption spectroscopic studies.

    PubMed

    Küpper, Frithjof C; Leblanc, Catherine; Meyer-Klaucke, Wolfram; Potin, Philippe; Feiters, Martin C

    2014-08-01

    Members of various algal lineages are known to be strong producers of atmospherically relevant halogen emissions, that is a consequence of their capability to store and metabolize halogens. This study uses a noninvasive, synchrotron-based technique, X-ray absorption spectroscopy, for addressing in vivo bromine speciation in the brown algae Ectocarpus siliculosus, Ascophyllum nodosum, and Fucus serratus, the red algae Gracilaria dura, G. gracilis, Chondrus crispus, Osmundea pinnatifida, Asparagopsis armata, Polysiphonia elongata, and Corallina officinalis, the diatom Thalassiosira rotula, the dinoflagellate Lingulodinium polyedrum and a natural phytoplankton sample. The results highlight a diversity of fundamentally different bromine storage modes: while most of the stramenopile representatives and the dinoflagellate store mostly bromide, there is evidence for Br incorporated in nonaromatic hydrocarbons in Thalassiosira. Red algae operate various organic bromine stores - including a possible precursor (by the haloform reaction) for bromoform in Asparagopsis and aromatically bound Br in Polysiphonia and Corallina. Large fractions of the bromine in the red algae G. dura and C. crispus and the brown alga F. serratus are present as Br(-) defects in solid KCl, similar to what was reported earlier for Laminaria parts. These results are discussed according to different defensive strategies that are used within algal taxa to cope with biotic or abiotic stresses.

  14. Absorption-edge transmission technique using Ce- 139 for measurement of stable iodine concentration.

    PubMed

    Sorenson, J A

    1979-12-01

    We have investigated a technique for measuring stable iodine concentrations by absorption-edge transmission measurements using a Ce 139 radiation source. The lanthanum daughter emits characteristic x-rays whose energies just bracket the absorption edge of iodine at 33.2 keV. Relative transmission of these x-rays is sensitive to iodine concentration in the sample, but is relatively insensitive to other elements. By applying energy-selective beam filtration, it is possible to determine the relative transmission of these closely spaced x-ray energies with NaI(Tl) detectors. Optimizations of sample thickness, detector thickness, and Ce-139 source activity are discussed. Using sample volumes of about 10 ml, one can determine iodine concentration to an uncertainty (standard deviation) of +/- 5 microgram/ml with a 5-mCi source in a measurement time of 400 sec. Potential clinical applications of the in vitro technique are discussed, along with comparative aspects of the Ce-139 technique and other absorption and fluorescence techniques for measuring stable iodine. PMID:536797

  15. Absorption-edge transmission technique using Ce- 139 for measurement of stable iodine concentration.

    PubMed

    Sorenson, J A

    1979-12-01

    We have investigated a technique for measuring stable iodine concentrations by absorption-edge transmission measurements using a Ce 139 radiation source. The lanthanum daughter emits characteristic x-rays whose energies just bracket the absorption edge of iodine at 33.2 keV. Relative transmission of these x-rays is sensitive to iodine concentration in the sample, but is relatively insensitive to other elements. By applying energy-selective beam filtration, it is possible to determine the relative transmission of these closely spaced x-ray energies with NaI(Tl) detectors. Optimizations of sample thickness, detector thickness, and Ce-139 source activity are discussed. Using sample volumes of about 10 ml, one can determine iodine concentration to an uncertainty (standard deviation) of +/- 5 microgram/ml with a 5-mCi source in a measurement time of 400 sec. Potential clinical applications of the in vitro technique are discussed, along with comparative aspects of the Ce-139 technique and other absorption and fluorescence techniques for measuring stable iodine.

  16. Atmospheric Pre-Corrected Differential Absorption Techniques to Retrieve Columnar Water Vapor: Theory and Simulations

    NASA Technical Reports Server (NTRS)

    Borel, Christoph C.; Schlaepfer, Daniel

    1996-01-01

    Two different approaches exist to retrieve columnar water vapor from imaging spectrometer data: (1) Differential absorption techniques based on: (a) Narrow-Wide (N/W) ratio between overlapping spectrally wide and narrow channels; (b) Continuum Interpolated Band Ratio (CIBR) between a measurement channel and the weighted sum of two reference channels. (2) Non-linear fitting techniques which are based on spectral radiative transfer calculations. The advantage of the first approach is computational speed and of the second, improved retrieval accuracy. Our goal was to improve the accuracy of the first technique using physics based on radiative transfer. Using a modified version of the Duntley equation, we derived an "Atmospheric Pre-corrected Differential Absorption" (APDA) technique and described an iterative scheme to retrieve water vapor on a pixel-by-pixel basis. Next we compared both, the CIBR and the APDA using the Duntley equation for MODTRAN3 computed irradiances, transmissions and path radiance (using the DISORT option). This simulation showed that the CIBR is very sensitive to reflectance effects and that the APDA performs much better. An extensive data set was created with the radiative transfer code 6S over 379 different ground reflectance spectra. The calculated relative water vapor error was reduced significantly for the APDA. The APDA technique had about 8% (vs. over 35% for the CIBR) of the 379 spectra with a relative water vapor error of greater than +5%. The APDA has been applied to 1991 and 1995 AVIRIS scenes which visually demonstrate the improvement over the CIBR technique.

  17. The retention of uranium and europium onto sepiolite investigated by macroscopic, spectroscopic and modeling techniques

    NASA Astrophysics Data System (ADS)

    Sun, Yubing; Li, Jiaxing; Wang, Xiangke

    2014-09-01

    Clay minerals have been proposed for the potential retention of the high-level radioactive wastes in deep geological repositories. The retention of uranium (U(VI)) and europium (Eu(III)) onto well-characterized sepiolite was elucidated by using microscopic adsorption, spectroscopic techniques and surface complexation modeling. The results of macroscopic adsorption experiments showed that the uptake of U(VI) and Eu(III) onto sepiolite significantly increased with increasing pH 4.0-7.0, whereas the decrease adsorption of U(VI) at pH > 7.0 and in the presence of carbonate (10-3 mol/L) was attributed to the electrostatic repulsion. The chemical affinity of U(VI) with sepiolite was stronger than that of Eu(III) with sepiolite in terms of batch desorption tests. Based on the EXAFS spectra analysis, the interatomic distances of U-Si at ∼3.16 Å was observed in U(VI)/sepiolite systems, which indicated that the inner-sphere surface species were coordinated on SiO4 tetrahedra via bidentate configuration. The U-C shell at ∼2.9 Å in the presence of carbonate revealed the U(VI)-carbonate ternary complexes at sepiolite-water interface. The results from the three common surface complexation models (SCMs), including constant-capacitance model (CCM), diffuse-layer model (DLM), and triple-layer model (TLM), can give an excellent fit to the experimental data with the bidentate edge-sharing (E2, >SO2M(n - 2)+), bidentate corner-sharing (C2, (>SO)2M(OH)2(n - 4)+) and >SOMCO3(n - 3)+ inner-sphere surface complexes in ambient environments. However, the second ternary surface complex >SOCO2M(n - 1)+ was determined in the presence of carbonate. The findings presented in this study are significant toward the description and predication of fate and transport of radionuclides at the water-mineral interface in the natural environment.

  18. Sensitivity optimization of the one beam Z-scan technique and a Z-scan technique immune to nonlinear absorption.

    PubMed

    Dávila Pintle, José A; Lara, Edmundo Reynoso; Iturbe Castillo, Marcelo D

    2013-07-01

    It is presented a criteria for selecting the optimum aperture radius for the one beam Z-scan technique (OBZT), based on the analysis of the transmittance of the aperture. It is also presented a modification to the OBZT by directly measuring the beam radius in the far field with a rotating disk, which allows to determine simultaneously the non-linear absorptive coefficient and non-linear refractive index, much less sensitive to wave front distortions caused by inhomogeneities of the sample with a negligible loss of signal to noise ratio. It is demonstrated its equivalence to the OBZT.

  19. Characterization of fresh and aged natural ingredients used in historical ointments by molecular spectroscopic techniques: IR, Raman and fluorescence.

    PubMed

    Brambilla, L; Riedo, C; Baraldi, C; Nevin, A; Gamberini, M C; D'Andrea, C; Chiantore, O; Goidanich, S; Toniolo, L

    2011-10-01

    Natural organic materials used to prepare pharmaceutical mixtures including ointments and balsams have been characterized by a combined non-destructive spectroscopic analytical approach. Three classes of materials which include vegetable oils (olive, almond and palm tree), gums (Arabic and Tragacanth) and beeswax are considered in this study according to their widespread use reported in ancient recipes. Micro-FTIR, micro-Raman and fluorescence spectroscopies have been applied to fresh and mildly thermally aged samples. Vibrational characterization of these organic compounds is reported together with tabulated frequencies, highlighting all spectral features and changes in spectra which occur following artificial aging. Synchronous fluorescence spectroscopy has been shown to be particularly useful for the assessment of changes in oils after aging; spectral difference between Tragacanth and Arabic gum could be due to variations in origin and processing of raw materials. Analysis of these materials using non-destructive spectroscopic techniques provided important analytical information which could be used to guide further study.

  20. Coal thickness gauge using RRAS techniques, part 1. [radiofrequency resonance absorption

    NASA Technical Reports Server (NTRS)

    Rollwitz, W. L.; King, J. D.

    1978-01-01

    A noncontacting sensor having a measurement range of 0 to 6 in or more, and with an accuracy of 0.5 in or better is needed to control the machinery used in modern coal mining so that the thickness of the coal layer remaining over the rock is maintained within selected bounds. The feasibility of using the radiofrequency resonance absorption (RRAS) techniques of electron magnetic resonance (EMR) and nuclear magnetic resonance (NMR) as the basis of a coal thickness gauge is discussed. The EMR technique was found, by analysis and experiments, to be well suited for this application.

  1. Concentration-modulated absorption spectroscopy.

    PubMed

    Langley, A J; Beaman, R A; Baran, J; Davies, A N; Jones, W J

    1985-07-01

    Concentration modulation is demonstrated to be a technique capable of markedly extending sensitivity limits in absorption spectroscopy. The gain generated relates in such a manner to sample transmittance that for the first reported time direct spectroscopic concentration measurements become possible. When concentration modulation is used with picosecond lasers, state lifetimes can be determined to a limit of approximately 20 psec.

  2. Method and apparatus for measuring butterfat and protein content using microwave absorption techniques

    DOEpatents

    Fryer, Michael O.; Hills, Andrea J.; Morrison, John L.

    2000-01-01

    A self calibrating method and apparatus for measuring butterfat and protein content based on measuring the microwave absorption of a sample of milk at several microwave frequencies. A microwave energy source injects microwave energy into the resonant cavity for absorption and reflection by the sample undergoing evaluation. A sample tube is centrally located in the resonant cavity passing therethrough and exposing the sample to the microwave energy. A portion of the energy is absorbed by the sample while another portion of the microwave energy is reflected back to an evaluation device such as a network analyzer. The frequency at which the reflected radiation is at a minimum within the cavity is combined with the scatter coefficient S.sub.11 as well as a phase change to calculate the butterfat content in the sample. The protein located within the sample may also be calculated in a likewise manner using the frequency, S.sub.11 and phase variables. A differential technique using a second resonant cavity containing a reference standard as a sample will normalize the measurements from the unknown sample and thus be self-calibrating. A shuttered mechanism will switch the microwave excitation between the unknown and the reference cavities. An integrated apparatus for measuring the butterfat content in milk using microwave absorption techniques is also presented.

  3. In vivo measurement of human skin absorption of topically applied substances by a photoacoustic technique.

    PubMed

    Gutiérrez-Juárez, G; Vargas-Luna, M; Córdova, T; Varela, J B; Bernal-Alvarado, J J; Sosa, M

    2002-08-01

    A photoacoustic technique is used for studying topically applied substance absorption in human skin. The proposed method utilizes a double-chamber PA cell. The absorption determination was obtained through the measurement of the thermal effusivity of the binary system substance-skin. The theoretical model assumes that the effective thermal effusivity of the binary system corresponds to that of a two-phase system. Experimental applications of the method employed different substances of topical application in different parts of the body of a volunteer. The method is demonstrated to be an easily used non-invasive technique for dermatology research. The relative concentrations as a function of time of substances such as ketoconazol and sunscreen were determined by fitting a sigmoidal function to the data, while an exponential function corresponds to the best fit for the set of data for nitrofurazona, vaseline and vaporub. The time constants associated with the rates of absorption, were found to vary in the range between 10 and 58 min, depending on the substance and the part of the body. PMID:12214760

  4. Evaluation of structure-reactivity descriptors and biological activity spectra of 4-(6-methoxy-2-naphthyl)-2-butanone using spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Agrawal, Megha; Deval, Vipin; Gupta, Archana; Sangala, Bagvanth Reddy; Prabhu, S. S.

    2016-10-01

    The structure and several spectroscopic features along with reactivity parameters of the compound 4-(6-methoxy-2-naphthyl)-2-butanone (Nabumetone) have been studied using experimental techniques and tools derived from quantum chemical calculations. Structure optimization is followed by force field calculations based on density functional theory (DFT) at the B3LYP/6-311++G(d,p) level of theory. The vibrational spectra have been interpreted with the aid of normal coordinate analysis. UV-visible spectrum and the effect of solvent have been discussed. The electronic properties such as HOMO and LUMO energies have been determined by TD-DFT approach. In order to understand various aspects of pharmacological sciences several new chemical reactivity descriptors - chemical potential, global hardness and electrophilicity have been evaluated. Local reactivity descriptors - Fukui functions and local softnesses have also been calculated to find out the reactive sites within molecule. Aqueous solubility and lipophilicity have been calculated which are crucial for estimating transport properties of organic molecules in drug development. Estimation of biological effects, toxic/side effects has been made on the basis of prediction of activity spectra for substances (PASS) prediction results and their analysis by Pharma Expert software. Using the THz-TDS technique, the frequency-dependent absorptions of NBM have been measured in the frequency range up to 3 THz.

  5. Evaluation of structure-reactivity descriptors and biological activity spectra of 4-(6-methoxy-2-naphthyl)-2-butanone using spectroscopic techniques.

    PubMed

    Agrawal, Megha; Deval, Vipin; Gupta, Archana; Sangala, Bagvanth Reddy; Prabhu, S S

    2016-10-01

    The structure and several spectroscopic features along with reactivity parameters of the compound 4-(6-methoxy-2-naphthyl)-2-butanone (Nabumetone) have been studied using experimental techniques and tools derived from quantum chemical calculations. Structure optimization is followed by force field calculations based on density functional theory (DFT) at the B3LYP/6-311++G(d,p) level of theory. The vibrational spectra have been interpreted with the aid of normal coordinate analysis. UV-visible spectrum and the effect of solvent have been discussed. The electronic properties such as HOMO and LUMO energies have been determined by TD-DFT approach. In order to understand various aspects of pharmacological sciences several new chemical reactivity descriptors - chemical potential, global hardness and electrophilicity have been evaluated. Local reactivity descriptors - Fukui functions and local softnesses have also been calculated to find out the reactive sites within molecule. Aqueous solubility and lipophilicity have been calculated which are crucial for estimating transport properties of organic molecules in drug development. Estimation of biological effects, toxic/side effects has been made on the basis of prediction of activity spectra for substances (PASS) prediction results and their analysis by Pharma Expert software. Using the THz-TDS technique, the frequency-dependent absorptions of NBM have been measured in the frequency range up to 3THz.

  6. Evaluation of structure-reactivity descriptors and biological activity spectra of 4-(6-methoxy-2-naphthyl)-2-butanone using spectroscopic techniques.

    PubMed

    Agrawal, Megha; Deval, Vipin; Gupta, Archana; Sangala, Bagvanth Reddy; Prabhu, S S

    2016-10-01

    The structure and several spectroscopic features along with reactivity parameters of the compound 4-(6-methoxy-2-naphthyl)-2-butanone (Nabumetone) have been studied using experimental techniques and tools derived from quantum chemical calculations. Structure optimization is followed by force field calculations based on density functional theory (DFT) at the B3LYP/6-311++G(d,p) level of theory. The vibrational spectra have been interpreted with the aid of normal coordinate analysis. UV-visible spectrum and the effect of solvent have been discussed. The electronic properties such as HOMO and LUMO energies have been determined by TD-DFT approach. In order to understand various aspects of pharmacological sciences several new chemical reactivity descriptors - chemical potential, global hardness and electrophilicity have been evaluated. Local reactivity descriptors - Fukui functions and local softnesses have also been calculated to find out the reactive sites within molecule. Aqueous solubility and lipophilicity have been calculated which are crucial for estimating transport properties of organic molecules in drug development. Estimation of biological effects, toxic/side effects has been made on the basis of prediction of activity spectra for substances (PASS) prediction results and their analysis by Pharma Expert software. Using the THz-TDS technique, the frequency-dependent absorptions of NBM have been measured in the frequency range up to 3THz. PMID:27284764

  7. High-Energy X-ray Absorption Diagnostics as an Experimental Combustion Technique

    NASA Astrophysics Data System (ADS)

    Dunnmon, Jared; Sobhani, Sadaf; Hinshaw, Waldo; Fahrig, Rebecca; Ihme, Matthias

    2015-11-01

    X-ray diagnostics such as X-ray Computed Tomography (XCT) have recently been utilized for measurement of scalar concentration fields in gas-phase flow phenomena. In this study, we apply high-energy X-ray absorption techniques to visualize a laboratory-scale flame via fluoroscopic measurements by using krypton as a radiodense tracer media. Advantages of X-ray absorption diagnostics in a combustion context, including application to optically inaccessible environments and lack of ambient photon interference, are demonstrated. Analysis methods and metrics for extracting physical insights from these data are presented. The accuracy of the diagnostic is assessed via comparison to known results from canonical flame configurations, and the potential for further applications is discussed. Support from the NDSEG fellowship, Bosch, and NASA are gratefully acknolwedged.

  8. Coupling spectroscopic and chromatographic techniques for evaluation of the depositional history of hydrocarbons in a subtropical estuary.

    PubMed

    Martins, César C; Doumer, Marta E; Gallice, Wellington C; Dauner, Ana Lúcia L; Cabral, Ana Caroline; Cardoso, Fernanda D; Dolci, Natiely N; Camargo, Luana M; Ferreira, Paulo A L; Figueira, Rubens C L; Mangrich, Antonio S

    2015-10-01

    Spectroscopic and chromatographic techniques can be used together to evaluate hydrocarbon inputs to coastal environments such as the Paranaguá estuarine system (PES), located in the SW Atlantic, Brazil. Historical inputs of aliphatic hydrocarbons (AHs) and polycyclic aromatic hydrocarbons (PAHs) were analyzed using two sediment cores from the PES. The AHs were related to the presence of biogenic organic matter and degraded oil residues. The PAHs were associated with mixed sources. The highest hydrocarbon concentrations were related to oil spills, while relatively low levels could be attributed to the decrease in oil usage during the global oil crisis. The results of electron paramagnetic resonance were in agreement with the absolute AHs and PAHs concentrations measured by chromatographic techniques, while near-infrared spectroscopy results were consistent with unresolved complex mixture (UCM)/total n-alkanes ratios. These findings suggest that the use of a combination of techniques can increase the accuracy of assessment of contamination in sediments.

  9. Development and Quantification of UV-Visible and Laser Spectroscopic Techniques for Materials Accountability and Process Control

    SciTech Connect

    Ken Czerwinski; Phil Weck; Frederic Poineau

    2010-12-29

    Ultraviolet-Visible Spectroscopy (UV-Visible) and Time Resolved Laser Fluorescence Spectroscopy (TRLFS) optical techniques can permit on-line, real-time analysis of the actinide elements in a solvent extraction process. UV-Visible and TRLFS techniques have been used for measuring the speciation and concentration of the actinides under laboratory conditions. These methods are easily adaptable to multiple sampling geometries, such as dip probes, fiber-optic sample cells, and flow-through cell geometries. To fully exploit these techniques for GNEP applications, the fundamental speciation of the target actinides and the resulting influence on 3 spectroscopic properties must be determined. Through this effort detection limits, process conditions, and speciation of key actinide components can be establish and utilized in a range of areas of interest to GNEP, especially in areas related to materials accountability and process control.

  10. Coupling spectroscopic and chromatographic techniques for evaluation of the depositional history of hydrocarbons in a subtropical estuary.

    PubMed

    Martins, César C; Doumer, Marta E; Gallice, Wellington C; Dauner, Ana Lúcia L; Cabral, Ana Caroline; Cardoso, Fernanda D; Dolci, Natiely N; Camargo, Luana M; Ferreira, Paulo A L; Figueira, Rubens C L; Mangrich, Antonio S

    2015-10-01

    Spectroscopic and chromatographic techniques can be used together to evaluate hydrocarbon inputs to coastal environments such as the Paranaguá estuarine system (PES), located in the SW Atlantic, Brazil. Historical inputs of aliphatic hydrocarbons (AHs) and polycyclic aromatic hydrocarbons (PAHs) were analyzed using two sediment cores from the PES. The AHs were related to the presence of biogenic organic matter and degraded oil residues. The PAHs were associated with mixed sources. The highest hydrocarbon concentrations were related to oil spills, while relatively low levels could be attributed to the decrease in oil usage during the global oil crisis. The results of electron paramagnetic resonance were in agreement with the absolute AHs and PAHs concentrations measured by chromatographic techniques, while near-infrared spectroscopy results were consistent with unresolved complex mixture (UCM)/total n-alkanes ratios. These findings suggest that the use of a combination of techniques can increase the accuracy of assessment of contamination in sediments. PMID:26210796

  11. Atmospheric pre-corrected differential absorption techniques to retrieve columnar water vapor: Theory and simulations

    SciTech Connect

    Borel, C.C.; Schlaepfer, D.

    1996-03-01

    Two different approaches exist to retrieve columnar water vapor from imaging spectrometer data: (1) Differential absorption techniques based on: (a) Narrow-Wide (N/W) ratio between overlapping spectrally wide and narrow channels (b) Continuum Interpolated Band Ratio (CIBR) between a measurement channel and the weighted sum of two reference channels; and (2) Non-linear fitting techniques which are based on spectral radiative transfer calculations. The advantage of the first approach is computational speed and of the second, improved retrieval accuracy. Our goal was to improve the accuracy of the first technique using physics based on radiative transfer. Using a modified version of the Duntley equation, we derived an {open_quote}Atmospheric Pre-corrected Differential Absorption{close_quote} (APDA) technique and described an iterative scheme to retrieve water vapor on a pixel-by-pixel basis. Next we compared both, the CIBR and the APDA using the Duntley equation for MODTRAN3 computed irradiances, transmissions and path radiance (using the DISORT option). This simulation showed that the CIBR is very sensitive to reflectance effects and that the APDA performs much better. An extensive data set was created with the radiative transfer code 6S over 379 different ground reflectance spectra. The calculated relative water vapor error was reduced significantly for the APDA. The APDA technique had about 8% (vs. over 35% for the CIBR) of the 379 spectra with a relative water vapor error of greater than {+-}5%. The APDA has been applied to 1991 and 1995 AVIRIS scenes which visually demonstrate the improvement over the CIBR technique.

  12. Analysis of algebraic reconstruction technique for accurate imaging of gas temperature and concentration based on tunable diode laser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Hui-Hui, Xia; Rui-Feng, Kan; Jian-Guo, Liu; Zhen-Yu, Xu; Ya-Bai, He

    2016-06-01

    An improved algebraic reconstruction technique (ART) combined with tunable diode laser absorption spectroscopy(TDLAS) is presented in this paper for determining two-dimensional (2D) distribution of H2O concentration and temperature in a simulated combustion flame. This work aims to simulate the reconstruction of spectroscopic measurements by a multi-view parallel-beam scanning geometry and analyze the effects of projection rays on reconstruction accuracy. It finally proves that reconstruction quality dramatically increases with the number of projection rays increasing until more than 180 for 20 × 20 grid, and after that point, the number of projection rays has little influence on reconstruction accuracy. It is clear that the temperature reconstruction results are more accurate than the water vapor concentration obtained by the traditional concentration calculation method. In the present study an innovative way to reduce the error of concentration reconstruction and improve the reconstruction quality greatly is also proposed, and the capability of this new method is evaluated by using appropriate assessment parameters. By using this new approach, not only the concentration reconstruction accuracy is greatly improved, but also a suitable parallel-beam arrangement is put forward for high reconstruction accuracy and simplicity of experimental validation. Finally, a bimodal structure of the combustion region is assumed to demonstrate the robustness and universality of the proposed method. Numerical investigation indicates that the proposed TDLAS tomographic algorithm is capable of detecting accurate temperature and concentration profiles. This feasible formula for reconstruction research is expected to resolve several key issues in practical combustion devices. Project supported by the Young Scientists Fund of the National Natural Science Foundation of China (Grant No. 61205151), the National Key Scientific Instrument and Equipment Development Project of China (Grant

  13. Analysis of algebraic reconstruction technique for accurate imaging of gas temperature and concentration based on tunable diode laser absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Hui-Hui, Xia; Rui-Feng, Kan; Jian-Guo, Liu; Zhen-Yu, Xu; Ya-Bai, He

    2016-06-01

    An improved algebraic reconstruction technique (ART) combined with tunable diode laser absorption spectroscopy(TDLAS) is presented in this paper for determining two-dimensional (2D) distribution of H2O concentration and temperature in a simulated combustion flame. This work aims to simulate the reconstruction of spectroscopic measurements by a multi-view parallel-beam scanning geometry and analyze the effects of projection rays on reconstruction accuracy. It finally proves that reconstruction quality dramatically increases with the number of projection rays increasing until more than 180 for 20 × 20 grid, and after that point, the number of projection rays has little influence on reconstruction accuracy. It is clear that the temperature reconstruction results are more accurate than the water vapor concentration obtained by the traditional concentration calculation method. In the present study an innovative way to reduce the error of concentration reconstruction and improve the reconstruction quality greatly is also proposed, and the capability of this new method is evaluated by using appropriate assessment parameters. By using this new approach, not only the concentration reconstruction accuracy is greatly improved, but also a suitable parallel-beam arrangement is put forward for high reconstruction accuracy and simplicity of experimental validation. Finally, a bimodal structure of the combustion region is assumed to demonstrate the robustness and universality of the proposed method. Numerical investigation indicates that the proposed TDLAS tomographic algorithm is capable of detecting accurate temperature and concentration profiles. This feasible formula for reconstruction research is expected to resolve several key issues in practical combustion devices. Project supported by the Young Scientists Fund of the National Natural Science Foundation of China (Grant No. 61205151), the National Key Scientific Instrument and Equipment Development Project of China (Grant

  14. Determination of photocarrier density under continuous photoirradiation using spectroscopic techniques as applied to polymer: Fullerene blend films

    SciTech Connect

    Kanemoto, Katsuichi Nakatani, Hitomi; Domoto, Shinya

    2014-10-28

    We propose a method to determine the density of photocarrier under continuous photoirradiation in conjugated polymers using spectroscopic signals obtained by photoinduced absorption (PIA) measurements. The bleaching signals in the PIA measurements of polymer films and the steady-state absorption signals of oxidized polymer solution are employed to determine the photocarrier density. The method is applied to photocarriers of poly (3-hexylthiophene) (P3HT) in a blended film consisting of P3HT and [6,6]-phenyl C61 butyric acid methyl ester (PCBM). The photocarrier density under continuous photoirradiation of 580 mW/cm{sup 2} is determined to be 3.5 × 10{sup 16 }cm{sup −3}. Using a trend of the carrier density increasing in proportion to the square root of photo-excitation intensity, we provide a general formula to estimate the photocarrier density under simulated 1 sun solar irradiation for the P3HT: PCBM film of an arbitrary thickness. We emphasize that the method proposed in this study enables an estimate of carrier density without measuring a current and can be applied to films with no electrodes as well as to devices.

  15. Laser-spectroscopic measurement techniques for hypersonic, turbulent wind tunnel flows

    NASA Technical Reports Server (NTRS)

    Mckenzie, Robert L.; Fletcher, Douglas G.

    1992-01-01

    A review is given of the nature, present status, and capabilities of two laser spectroscopic methods for the simultaneous measurement of temperature, density, and their fluctuations owing to turbulence in high speed wind tunnel flows. One method is based on the two frequency excitation of nitric oxide seeded into a nitrogen flow, using tunable dye lasers. The second, more recent method relies on the excitation of oxygen in air flows using a tunable, ArF excimer laser. Signal are obtained from both the laser induced fluorescence and from Raman scattering of the same laser pulse. Measurements are demonstrated in the turbulent boundary layer of a Mach-2 channel flow.

  16. Invited Review Article: Imaging techniques for harmonic and multiphoton absorption fluorescence microscopy

    PubMed Central

    Carriles, Ramón; Schafer, Dawn N.; Sheetz, Kraig E.; Field, Jeffrey J.; Cisek, Richard; Barzda, Virginijus; Sylvester, Anne W.; Squier, Jeffrey A.

    2009-01-01

    We review the current state of multiphoton microscopy. In particular, the requirements and limitations associated with high-speed multiphoton imaging are considered. A description of the different scanning technologies such as line scan, multifoci approaches, multidepth microscopy, and novel detection techniques is given. The main nonlinear optical contrast mechanisms employed in microscopy are reviewed, namely, multiphoton excitation fluorescence, second harmonic generation, and third harmonic generation. Techniques for optimizing these nonlinear mechanisms through a careful measurement of the spatial and temporal characteristics of the focal volume are discussed, and a brief summary of photobleaching effects is provided. Finally, we consider three new applications of multiphoton microscopy: nonlinear imaging in microfluidics as applied to chemical analysis and the use of two-photon absorption and self-phase modulation as contrast mechanisms applied to imaging problems in the medical sciences. PMID:19725639

  17. Diffusion-weighted line-scan echo-planar spectroscopic imaging technique to reduce motion artifacts in metabolite diffusion imaging.

    PubMed

    Bito, Yoshitaka; Hirata, Koji; Ebisu, Toshihiko; Kawai, Yuko; Otake, Yosuke; Hirata, Satoshi; Shirai, Toru; Soutome, Yoshihisa; Ochi, Hisaaki; Yamamoto, Etsuji; Umeda, Masahiro; Higuchi, Toshihiro; Tanaka, Chuzo

    2015-01-01

    Metabolite diffusion is expected to provide more specific microstructural and functional information than water diffusion. However, highly accurate measurement techniques have still not been developed, especially for reducing motion artifacts caused by cardiac pulsation and respiration. We developed a diffusion-weighted line-scan echo-planar spectroscopic imaging (DW-LSEPSI) technique to reduce such motion artifacts in measuring diffusion-weighted images (DWI) of metabolites. Our technique uses line-scan and echo-planar techniques to reduce phase errors induced by such motion during diffusion time. The phase errors are corrected using residual water signals in water suppression for each acquisition and at each spatial pixel specified by combining the line-scan and echo-planar techniques. We apply this technique to a moving phantom and a rat brain in vivo to demonstrate the reduction of motion artifacts in DWI and apparent diffusion coefficient (ADC) maps of metabolites. DW-LSEPSI will be useful for investigating a cellular diffusion environment using metabolites as probes.

  18. Spectroscopic method for Earth-satellite-Earth laser long-path absorption measurements using Retroreflector In Space (RIS)

    NASA Technical Reports Server (NTRS)

    Sugimoto, Nobuo; Minato, Atsushi; Sasano, Yasuhiro

    1992-01-01

    The Retroreflector in Space (RIS) is a single element cube-corner retroreflector with a diameter of 0.5 m designed for earth-satellite-earth laser long-path absorption experiments. The RIS is to be loaded on the Advanced Earth Observing System (ADEOS) satellite which is scheduled for launch in Feb. 1996. The orbit for ADEOS is a sun synchronous subrecurrent polar-orbit with an inclination of 98.6 deg. It has a period of 101 minutes and an altitude of approximately 800 km. The local time at descending node is 10:15-10:45, and the recurrent period is 41 days. The velocity relative to the ground is approximately 7 km/s. In the RIS experiment, a laser beam transmitted from a ground station is reflected by RIS and received at the ground station. The absorption of the intervening atmosphere is measured in the round-trip optical path.

  19. X-ray absorption spectroscopic studies of the active sites of nickel- and copper-containing metalloproteins

    SciTech Connect

    Tan, G.O.

    1993-06-01

    X-ray absorption spectroscopy (XAS) is a useful tool for obtaining structural and chemical information about the active sites of metalloproteins and metalloenzymes. Information may be obtained from both the edge region and the extended X-ray absorption fine structure (EXAFS) or post-edge region of the K-edge X-ray absorption spectrum of a metal center in a compound. The edge contains information about the valence electronic structure of the atom that absorbs the X-rays. It is possible in some systems to infer the redox state of the metal atom in question, as well as the geometry and nature of ligands connected to it, from the features in the edge in a straightforward manner. The EXAFS modulations, being produced by the backscattering of the ejected photoelectron from the atoms surrounding the metal atom, provide, when analyzed, information about the number and type of neighbouring atoms, and the distances at which they occur. In this thesis, analysis of both the edge and EXAFS regions has been used to gain information about the active sites of various metalloproteins. The metalloproteins studied were plastocyanin (Pc), laccase and nickel carbon monoxide dehydrogenase (Ni CODH). Studies of Cu(I)-imidazole compounds, related to the protein hemocyanin, are also reported here.

  20. New Spectroscopic Technique Based on Coaddition of Surface Brightness Fluctuations: NGC 4449 and its Stellar Tidal Stream

    NASA Astrophysics Data System (ADS)

    Toloba, Elisa; Guhathakurta, Puragra; Romanowsky, Aaron J.; Brodie, Jean P.; Martínez-Delgado, David; Arnold, Jacob A.; Ramachandran, Neel; Theakanath, Kuriakose

    2016-06-01

    We present a new spectroscopic technique based in part on targeting the upward fluctuations of the surface brightness for studying the internal stellar kinematics and metallicities of galaxies of low surface brightness effects both to galaxies and streams beyond the Local Group. The distance to these systems makes them unsuitable for targeting individual red giant branch (RGB) stars (tip of RGB at I≳ 24 mag) and their surface brightness is too low ({μ }r≳ 25 mag arcsec-2) for integrated light spectroscopic measurements. This technique overcomes these two problems by targeting individual objects that are brighter than the tip of the RGB. We apply this technique to the star-forming dwarf galaxy NGC 4449 and its stellar stream. We use Keck/DEIMOS data to measure the line-of-sight radial velocity out to ˜7 kpc in the east side of the galaxy and ˜8 kpc along the stream. We find that the two systems are likely gravitationally bound to each other and have heliocentric radial velocities of 227.3 ± 10.7 km s-1 and 225.8 ± 16.0 km s-1, respectively. Neither the stream nor the near half of the galaxy shows a significant velocity gradient. We estimate the stellar metallicity of the stream based on the equivalent width of its calcium triplet lines and find [Fe/H] =\\quad -1.37+/- 0.41, which is consistent with the metallicity-luminosity relation for dwarf galaxies in the Local Group. Whether the stream's progenitor was moderately or severely stripped cannot be constrained with this uncertainty in metallicity. We demonstrate that this new technique can be used to measure the kinematics and (possibly) the metallicity of the numerous faint satellites and stellar streams in the halos of nearby (˜4 Mpc) galaxies.

  1. New Spectroscopic Technique Based on Coaddition of Surface Brightness Fluctuations: NGC 4449 and its Stellar Tidal Stream

    NASA Astrophysics Data System (ADS)

    Toloba, Elisa; Guhathakurta, Puragra; Romanowsky, Aaron J.; Brodie, Jean P.; Martínez-Delgado, David; Arnold, Jacob A.; Ramachandran, Neel; Theakanath, Kuriakose

    2016-06-01

    We present a new spectroscopic technique based in part on targeting the upward fluctuations of the surface brightness for studying the internal stellar kinematics and metallicities of galaxies of low surface brightness effects both to galaxies and streams beyond the Local Group. The distance to these systems makes them unsuitable for targeting individual red giant branch (RGB) stars (tip of RGB at I≳ 24 mag) and their surface brightness is too low ({μ }r≳ 25 mag arcsec‑2) for integrated light spectroscopic measurements. This technique overcomes these two problems by targeting individual objects that are brighter than the tip of the RGB. We apply this technique to the star-forming dwarf galaxy NGC 4449 and its stellar stream. We use Keck/DEIMOS data to measure the line-of-sight radial velocity out to ˜7 kpc in the east side of the galaxy and ˜8 kpc along the stream. We find that the two systems are likely gravitationally bound to each other and have heliocentric radial velocities of 227.3 ± 10.7 km s‑1 and 225.8 ± 16.0 km s‑1, respectively. Neither the stream nor the near half of the galaxy shows a significant velocity gradient. We estimate the stellar metallicity of the stream based on the equivalent width of its calcium triplet lines and find [Fe/H] =\\quad -1.37+/- 0.41, which is consistent with the metallicity–luminosity relation for dwarf galaxies in the Local Group. Whether the stream's progenitor was moderately or severely stripped cannot be constrained with this uncertainty in metallicity. We demonstrate that this new technique can be used to measure the kinematics and (possibly) the metallicity of the numerous faint satellites and stellar streams in the halos of nearby (˜4 Mpc) galaxies.

  2. Studies on the interaction between promethazine and human serum albumin in the presence of flavonoids by spectroscopic and molecular modeling techniques.

    PubMed

    He, Ling-Ling; Wang, Zhi-Xin; Wang, Yong-Xia; Liu, Xian-Ping; Yang, Yan-Jie; Gao, Yan-Ping; Wang, Xin; Liu, Bin; Wang, Xin

    2016-09-01

    Fluorescence, absorption, time-correlated single photon counting (TCSPC), and circular dichroism (CD) spectroscopic techniques as well as molecular modeling methods were used to study the binding characterization of promethazine (PMT) to human serum albumin (HSA) and the influence of flavonoids, rutin and baicalin, on their affinity. The results indicated that the fluorescence quenching mechanism of HSA by PMT is a static quenching due to the formation of complex. The reaction was spontaneous and mainly mediated by hydrogen bonds and hydrophobic interactions. The binding distance between the tryptophan residue of HSA and PMT is less than 8nm, which indicated that the energy transfer from the tryptophan residue of HSA to PMT occurred. The binding site of PMT on HSA was located in sites I and the presence of PMT can cause the conformational changes of HSA. There was the competitive binding to HSA between PMT and flavonoids because of the overlap of binding sites in HSA. The flavonoids could decrease the association constant and increase the binding distance. In addition, their synergistic effect can further change the conformation of HSA. The decrease in the affinities of PMT binding to HSA in the presence of flavonoids may lead to the increase of free drug in blood, which would affect the transportation or disposition of drug and evoke an adverse or toxic effect. Hence, rationalising dosage and diet regimens should be taken into account in clinical application of PMT.

  3. Studies on the interaction between promethazine and human serum albumin in the presence of flavonoids by spectroscopic and molecular modeling techniques.

    PubMed

    He, Ling-Ling; Wang, Zhi-Xin; Wang, Yong-Xia; Liu, Xian-Ping; Yang, Yan-Jie; Gao, Yan-Ping; Wang, Xin; Liu, Bin; Wang, Xin

    2016-09-01

    Fluorescence, absorption, time-correlated single photon counting (TCSPC), and circular dichroism (CD) spectroscopic techniques as well as molecular modeling methods were used to study the binding characterization of promethazine (PMT) to human serum albumin (HSA) and the influence of flavonoids, rutin and baicalin, on their affinity. The results indicated that the fluorescence quenching mechanism of HSA by PMT is a static quenching due to the formation of complex. The reaction was spontaneous and mainly mediated by hydrogen bonds and hydrophobic interactions. The binding distance between the tryptophan residue of HSA and PMT is less than 8nm, which indicated that the energy transfer from the tryptophan residue of HSA to PMT occurred. The binding site of PMT on HSA was located in sites I and the presence of PMT can cause the conformational changes of HSA. There was the competitive binding to HSA between PMT and flavonoids because of the overlap of binding sites in HSA. The flavonoids could decrease the association constant and increase the binding distance. In addition, their synergistic effect can further change the conformation of HSA. The decrease in the affinities of PMT binding to HSA in the presence of flavonoids may lead to the increase of free drug in blood, which would affect the transportation or disposition of drug and evoke an adverse or toxic effect. Hence, rationalising dosage and diet regimens should be taken into account in clinical application of PMT. PMID:27315330

  4. X-ray absorption fine structure spectroscopic determination of plutonium speciation at the Rocky Flats environmental technology

    SciTech Connect

    Lezama-pacheco, Juan S; Conradson, Steven D; Clark, David L

    2008-01-01

    X-ray Absorption Fine Structure spectroscopy was used to probe the speciation of the ppm level Pu in thirteen soil and concrete samples from the Rocky Flats Environmental Technology Site in support of the site remediation effort that has been successfully completed since these measurements. In addition to X-ray Absorption Near Edge Spectra, two of the samples yielded Extended X-ray Absorption Fine Structure spectra that could be analyzed by curve-fits. Most of these spectra exhibited features consistent with PU(IV), and more specificaJly, PuO{sub 2+x}-type speciation. Two were ambiguous, possibly indicating that Pu that was originally present in a different form was transforming into PuO{sub 2+x}, and one was interpreted as demonstrating the presence of an unusual Pu(VI) compound, consistent with its source being spills from a PUREX purification line onto a concrete floor and the resultant extreme conditions. These experimental results therefore validated models that predicted that insoluble PuO{sub 2+x} would be the most stable form of Pu in equilibrium with air and water even when the source terms were most likely Pu metal with organic compounds or a Pu fire. A corollary of these models' predictions and other in situ observations is therefore that the minimal transport of Pu that occurred on the site was via the resuspension and mobilization of colloidal particles. Under these conditions, the small amounts of diffusely distributed Pu that were left on the site after its remediation pose only a negligible hazard.

  5. Errors in spectroscopic measurements of SO/sub 2/ due to nonexponential absorption of laser radiation, with application to the remote monitoring of atmospheric pollutants

    SciTech Connect

    Brassington, D.J.; Moncrieff, T.M.; Felton, R.C.; Jolliffe, B.W.; Marx, B.R.; Rowley, W.R.C.; Woods, P.T.

    1984-02-01

    Methods of measuring the concentration of atmospheric pollutants by laser absorption spectroscopy, such as differential absorption lidar (DIAL) and integrated long-path techniques, all rely on the validity of Beer's exponential absorption law. It is shown here that departures from this law occur if the probing laser has a bandwidth larger than the wavelength scale of structure in the absorption spectrum of the pollutant. A comprehensive experimental and theoretical treatment of the errors resulting from these departures is presented for the particular case of SO/sub 2/ monitoring at approx.300 nm. It is shown that the largest error occurs where the initial calibration measurement of absorption cross section is made at low pressure, in which case errors in excess of 5% in the cross section could occur for laser bandwidths >0.01 nm. Atmospheric measurements by DIAL or long-path methods are in most cases affected less, because pressure broadening smears the spectral structure, but when measuring high concentrations errors can exceed 5%.

  6. The 21-SPONGE HI Absorption Survey I: Techniques and Initial Results

    NASA Astrophysics Data System (ADS)

    Murray, Claire E.; Stanimirović, Snežana; Goss, W. M.; Dickey, John M.; Heiles, Carl; Lindner, Robert R.; Babler, Brian; Pingel, Nickolas M.; Lawrence, Allen; Jencson, Jacob; Hennebelle, Patrick

    2015-05-01

    We present methods and results from “21 cm Spectral Line Observations of Neutral Gas with the EVLA” (21-SPONGE), a large survey for Galactic neutral hydrogen (H i) absorption with the Karl G. Jansky Very Large Array (VLA). With the upgraded capabilities of the VLA, we reach median rms noise in optical depth of {{σ }τ }=9× {{10}-4} per 0.42 km {{s}-1} channel for the 31 sources presented here. Upon completion, 21-SPONGE will be the largest H i absorption survey with this high sensitivity. We discuss the observations and data reduction strategies, as well as line fitting techniques. We prove that the VLA bandpass (BP) is stable enough to detect broad, shallow lines associated with warm H i, and we show that BP observations can be combined in time to reduce spectral noise. In combination with matching H i emission profiles from the Arecibo Observatory (∼ 3.‧5 angular resolution), we estimate excitation (or spin) temperatures (Ts) and column densities for Gaussian components fitted to sightlines along which we detect H i absorption (30/31). We measure temperatures up to {{T}s}∼ 1500 K for individual lines, showing that we can probe the thermally unstable interstellar medium (ISM) directly. However, we detect fewer of these thermally unstable components than expected from previous observational studies. We probe a wide range in column density between ∼ {{10}16} and \\gt {{10}21} c{{m}-2} for individual H i clouds. In addition, we reproduce the trend between cold gas fraction and average Ts found by the Kim et al. synthetic observations of a hydrodynamic ISM simulation. Finally, we compare methods for estimating Ts using H i observations.

  7. Nuclear Magnetic Resonance and X-Ray Absorption Spectroscopic Studies of Lithium Insertion in Silver Vanadium Oxide Cathodes

    SciTech Connect

    Leifer,N.; Colon, A.; Martocci, k.; Greenbaum, S.; Alamgir, F.; Reddy, T.; Gleason, N.; Leising, R.; Takeuchi, E.

    2007-01-01

    Structural studies have been carried out on Ag{sub 2}V{sub 4}O{sub 11} (silver vanadium oxide, SVO) and Li{sub x}Ag{sub 2}V{sub 4}O{sub 11}, lithiated SVO with x=0.72, 2.13, and 5.59 using nuclear magnetic resonance (NMR) and X-ray absorption spectroscopy (XAS). Lithium-7 NMR indicates the formation of a solid electrolyte interphase layer on the x=0.72 sample and lithium intercalation into both octahedral and tetrahedral sites in the SVO lattice, and that most but not all of the Ag (I) is reduced prior to initiation of V(V) reduction. Vanadium-51 NMR studies of SVO and lithiated SVO show decreased crystallinity with increased lithiation, as previously reported. Silver XAS studies indicate the formation of metallic silver crystallites in all the lithiated samples. A comparison of X-ray absorption near edge spectroscopy spectra for vanadium in these samples with those of reference compounds shows that some reduction of vanadium (V) occurs in the lithiated SVO with x=0.72 and increases with further lithiation leading to the formation of V(IV) and V(III) species. The results of this study indicate that vanadium(V) reduction occurs in parallel with silver (I) reduction during the initial stages of SVO lithiation, leading ultimately to the formation of vanadium (IV) and (III) species with further lithiation.

  8. PROBING THE FERMI BUBBLES IN ULTRAVIOLET ABSORPTION: A SPECTROSCOPIC SIGNATURE OF THE MILKY WAY'S BICONICAL NUCLEAR OUTFLOW

    SciTech Connect

    Fox, Andrew J.; Bordoloi, Rongmon; Hernandez, Svea; Tumlinson, Jason; Savage, Blair D.; Wakker, Bart P.; Lockman, Felix J.; Bland-Hawthorn, Joss; Kim, Tae-Sun; Benjamin, Robert A.

    2015-01-20

    Giant lobes of plasma extend ≈55° above and below the Galactic center, glowing in emission from gamma rays (the Fermi Bubbles) to microwaves and polarized radio waves. We use ultraviolet absorption-line spectra from the Hubble Space Telescope to constrain the velocity of the outflowing gas within these regions, targeting the quasar PDS 456 (ℓ, b = 10.°4, +11.°2). This sightline passes through a clear biconical structure seen in hard X-ray and gamma-ray emission near the base of the northern Fermi Bubble. We report two high-velocity metal absorption components, at v {sub LSR} = –235 and +250 km s{sup –1}, which cannot be explained by co-rotating gas in the Galactic disk or halo. Their velocities are suggestive of an origin on the front and back side of an expanding biconical outflow emanating from the Galactic center. We develop simple kinematic biconical outflow models that can explain the observed profiles with an outflow velocity of ≳900 km s{sup –1} and a full opening angle of ≈110° (matching the X-ray bicone). This indicates Galactic center activity over the last ≈2.5-4.0 Myr, in line with age estimates of the Fermi Bubbles. The observations illustrate the use of UV spectroscopy to probe the properties of swept-up gas venting into the Fermi Bubbles.

  9. Evaluation of iron-containing carbon nanotubes by near edge X-ray absorption technique

    NASA Astrophysics Data System (ADS)

    Osorio, A. G.; Bergmann, C. P.

    2015-10-01

    The synthesis of carbon nanotubes (CNTs) via Chemical Vapor Deposition method with ferrocene results in CNTs filled with Fe-containing nanoparticles. The present work proposes a novel route to characterize the Fe phases in CNTs inherent to the synthesis process. CNTs were synthesized and, afterwards, the CNTs were heat treated at 1000 °C for 20 min in an inert atmosphere during a thermogravimetric experiment. X-Ray Absorption Spectroscopy (XAS) experiments were performed on the CNTs before and after the heat treatment and, also, during the heat treatment, e.g., in situ tests were performed while several Near-Edge X-Ray Absorption (XANES) spectra were collected during the heating of the samples. The XAS technique was successfully applied to evaluate the phases encapsulated by CNTs. Phase transformations of the Fe-based nanoparticles were also observed from iron carbide to metallic iron when the in situ experiments were performed. Results also indicated that the applied synthesis method guarantees that Fe phases are not oxidize. In addition, the results show that heat treatment under inert atmosphere can control which phase remains encapsulated by the CNTs.

  10. Fast-response, high-precision carbon monoxide sensor using a tunable diode laser absorption technique

    NASA Technical Reports Server (NTRS)

    Sachse, Glen W.; Hill, Gerald F.; Wade, Larry O.; Perry, Murray G.

    1987-01-01

    A tunable diode laser instrument, denoted as DACOM (Differential Absorption CO Measurement), has been developed to meet the fast-response, high-precision CO measurement needs of the GTE (Global Tropospheric Experiment) program. Under the GTE program, DACOM participated in the three field missions of CITE 1 (Chemical Instrumentation Test and Evaluation 1), a project involving the intercomparison of trace gas measurement techniques. DACOM performance, including analyses of measurement error sources, is discussed for the ground-based mission at Wallops Island, VA (summer 1983), and two missions on the NASA CV-990 (fall 1983 and spring 1984). Examples of fast-response (about 1 s), high-precision (+ or - 1 part per billion by volume, + or - 1.5 percent of reading) airborne data are included to illustrate the capability of this instrument.

  11. Hydride generation and condensation flame atomic absorption spectroscopic determination of antimony in raw coffee beans and processed coffee.

    PubMed

    Kuennen, R W; Hahn, M H; Fricke, F L; Wolnik, K A

    1982-09-01

    A method was developed for determining Sb at nanogram per gram levels in raw coffee beans and processed coffee. The procedure uses either total acid digestion or extraction with 6M HCl followed by hydride generation/condensation with subsequent revolatilization of stibine (SbH3) and detection by flame atomic absorption spectroscopy. The lowest quantifiable level, based on a 2 g (dry weight) sample, is 2 ng Sb/g. The results of recoveries on spiked samples, precision studies on composited coffee samples, and the analysis of National Bureau of Standards Standard Reference Materials demonstrate the reliability and accuracy of the procedure. Sb concentrations in coffee samples were verified by neutron activation analysis and inductively coupled plasma atomic emission spectroscopy. Advantages of the method compared with the AOAC colorimetric procedure and hydride generation without condensation are discussed. PMID:7130087

  12. Spectroscopic determination of leaf biochemistry using band-depth analysis of absorption features and stepwise multiple linear regression

    USGS Publications Warehouse

    Kokaly, R.F.; Clark, R.N.

    1999-01-01

    We develop a new method for estimating the biochemistry of plant material using spectroscopy. Normalized band depths calculated from the continuum-removed reflectance spectra of dried and ground leaves were used to estimate their concentrations of nitrogen, lignin, and cellulose. Stepwise multiple linear regression was used to select wavelengths in the broad absorption features centered at 1.73 ??m, 2.10 ??m, and 2.30 ??m that were highly correlated with the chemistry of samples from eastern U.S. forests. Band depths of absorption features at these wavelengths were found to also be highly correlated with the chemistry of four other sites. A subset of data from the eastern U.S. forest sites was used to derive linear equations that were applied to the remaining data to successfully estimate their nitrogen, lignin, and cellulose concentrations. Correlations were highest for nitrogen (R2 from 0.75 to 0.94). The consistent results indicate the possibility of establishing a single equation capable of estimating the chemical concentrations in a wide variety of species from the reflectance spectra of dried leaves. The extension of this method to remote sensing was investigated. The effects of leaf water content, sensor signal-to-noise and bandpass, atmospheric effects, and background soil exposure were examined. Leaf water was found to be the greatest challenge to extending this empirical method to the analysis of fresh whole leaves and complete vegetation canopies. The influence of leaf water on reflectance spectra must be removed to within 10%. Other effects were reduced by continuum removal and normalization of band depths. If the effects of leaf water can be compensated for, it might be possible to extend this method to remote sensing data acquired by imaging spectrometers to give estimates of nitrogen, lignin, and cellulose concentrations over large areas for use in ecosystem studies.We develop a new method for estimating the biochemistry of plant material using

  13. Spectral fluorescence signature techniques and absorption measurements for continuous monitoring of biofuel-producing microalgae cultures

    NASA Astrophysics Data System (ADS)

    Martín de la Cruz, M. C.; Gonzalez Vilas, L.; Yarovenko, N.; Spyrakos, E.; Torres Palenzuela, J. M.

    2013-08-01

    Biofuel production from microalgae can be both sustainable and economically viable. Particularly in the case of algal growth in wastewater an extra benefit is the removal or biotransformation of pollutants from these types of waters. A continuous monitoring system of the microalgae status and the concentration of different wastewater contaminants could be of great help in the biomass production and the water characterisation. In this study we present a system where spectral fluorescence signature (SFS) techniques are used along with absorption measurements to monitor microalgae cultures in wastewater and other mediums. This system aims to optimise the microalgae production for biofuel applications or other uses and was developed and tested in prototype indoor photo-bioreactors at the University of Vigo. SFS techniques were applied using the fluorescence analyser INSTAND-SCREENER developed by Laser Diagnostic Instruments AS. INSTAND-SCREENER permits wavelength scanning in two modes, one in UV and another in VIS. In parallel, it permits the on-line monitoring and rapid analysis of both water quality and phytoplankton status without prior treatment of the sample. Considering that different contaminants and microalgae features (density, status etc.) have different spectral signatures of fluorescence and absorption properties, it is possible to characterise them developing classification libraries. Several algorithms were used for the classification. The implementation of this system in an outdoor raceway reactor in a Spanish wastewater treatment plant is also discussed. This study was part of the Project EnerBioAlgae (http://www.enerbioalgae.com/), which was funded by the Interreg SUDOE and led by the University of Vigo.

  14. Structure, spectra and antioxidant action of ascorbic acid studied by density functional theory, Raman spectroscopic and nuclear magnetic resonance techniques.

    PubMed

    Singh, Gurpreet; Mohanty, B P; Saini, G S S

    2016-02-15

    Structure, vibrational and nuclear magnetic resonance spectra, and antioxidant action of ascorbic acid towards hydroxyl radicals have been studied computationally and in vitro by ultraviolet-visible, nuclear magnetic resonance and vibrational spectroscopic techniques. Time dependant density functional theory calculations have been employed to specify various electronic transitions in ultraviolet-visible spectra. Observed chemical shifts and vibrational bands in nuclear magnetic resonance and vibrational spectra, respectively have been assigned with the help of calculations. Changes in the structure of ascorbic acid in aqueous phase have been examined computationally and experimentally by recording Raman spectra in aqueous medium. Theoretical calculations of the interaction between ascorbic acid molecule and hydroxyl radical predicted the formation of dehydroascorbic acid as first product, which has been confirmed by comparing its simulated spectra with the corresponding spectra of ascorbic acid in presence of hydrogen peroxide.

  15. Structure, spectra and antioxidant action of ascorbic acid studied by density functional theory, Raman spectroscopic and nuclear magnetic resonance techniques

    NASA Astrophysics Data System (ADS)

    Singh, Gurpreet; Mohanty, B. P.; Saini, G. S. S.

    2016-02-01

    Structure, vibrational and nuclear magnetic resonance spectra, and antioxidant action of ascorbic acid towards hydroxyl radicals have been studied computationally and in vitro by ultraviolet-visible, nuclear magnetic resonance and vibrational spectroscopic techniques. Time dependant density functional theory calculations have been employed to specify various electronic transitions in ultraviolet-visible spectra. Observed chemical shifts and vibrational bands in nuclear magnetic resonance and vibrational spectra, respectively have been assigned with the help of calculations. Changes in the structure of ascorbic acid in aqueous phase have been examined computationally and experimentally by recording Raman spectra in aqueous medium. Theoretical calculations of the interaction between ascorbic acid molecule and hydroxyl radical predicted the formation of dehydroascorbic acid as first product, which has been confirmed by comparing its simulated spectra with the corresponding spectra of ascorbic acid in presence of hydrogen peroxide.

  16. Probing the Fermi Bubbles in Ultraviolet Absorption: A Spectroscopic Signature of the Milky Way's Biconical Nuclear Outflow

    NASA Astrophysics Data System (ADS)

    Fox, Andrew J.; Bordoloi, Rongmon; Savage, Blair D.; Lockman, Felix J.; Jenkins, Edward B.; Wakker, Bart P.; Bland-Hawthorn, Joss; Hernandez, Svea; Kim, Tae-Sun; Benjamin, Robert A.; Bowen, David V.; Tumlinson, Jason

    2015-01-01

    Giant lobes of plasma extend ≈55° above and below the Galactic center, glowing in emission from gamma rays (the Fermi Bubbles) to microwaves and polarized radio waves. We use ultraviolet absorption-line spectra from the Hubble Space Telescope to constrain the velocity of the outflowing gas within these regions, targeting the quasar PDS 456 (l, b = 10.°4, +11.°2). This sightline passes through a clear biconical structure seen in hard X-ray and gamma-ray emission near the base of the northern Fermi Bubble. We report two high-velocity metal absorption components, at v LSR = -235 and +250 km s-1, which cannot be explained by co-rotating gas in the Galactic disk or halo. Their velocities are suggestive of an origin on the front and back side of an expanding biconical outflow emanating from the Galactic center. We develop simple kinematic biconical outflow models that can explain the observed profiles with an outflow velocity of gsim900 km s-1 and a full opening angle of ≈110° (matching the X-ray bicone). This indicates Galactic center activity over the last ≈2.5-4.0 Myr, in line with age estimates of the Fermi Bubbles. The observations illustrate the use of UV spectroscopy to probe the properties of swept-up gas venting into the Fermi Bubbles. Based on observations taken under program 13448 of the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555, and under program 14B-299 of the NRAO Green Bank Telescope, which is a facility of the National Science Foundation operated under cooperative agreement by Associated Universities, Inc.

  17. NONLINEAR-APPROXIMATION TECHNIQUE FOR DETERMINING VERTICAL OZONE-CONCENTRATION PROFILES WITH A DIFFERENTIAL-ABSORPTION LIDAR

    EPA Science Inventory

    A new technique is presented for the retrieval of ozone concentration profiles from backscattered signals obtained by a multi-wavelength differential-absorption lidar (DIAL). The technique makes it possible to reduce erroneous local fluctuations induced in the ozone-concentration...

  18. Investigation on the interaction between isorhamnetin and bovine liver catalase by spectroscopic techniques under different pH conditions.

    PubMed

    Yang, Yumin; Li, Daojin

    2016-08-01

    The binding of isorhamnetin to bovine liver catalase (BLC) was first investigated at 302, 310 and 318 K at pH 7.4 using spectroscopic methods including fluorescence spectra, circular dichroism (CD) and UV-vis absorption. Spectrophotometric observations are rationalized mainly in terms of a static quenching process. The binding constants and binding sites were evaluated by fluorescence quenching methods. Enzymatic activity of BLC in the absence and presence of isorhamnetin was measured using a UV/vis spectrophotometer. The result revealed that the binding of isorhamnetin to BLC led to a reduction in the activity of BLC. The positive entropy change and enthalpy change indicated that the interaction of isorhamnetin with BLC was mainly driven by hydrophobic forces. The distance r between the donor (BLC) and acceptor (isorhamnetin) was estimated to be 2.99 nm according to fluorescence resonance energy transfer. Fluorescence, synchronous fluorescence, and CD spectra showed no obvious change in the conformation of BLC upon the binding of isorhamnetin. In addition, the influence of pH on the binding of isorhamnetin to BLC was investigated and the binding ability of the drug to BLC deceased under other pH conditions (pH 9.0, 6.5, 5.0, 3.5, or 2.0) as compared with that at pH 7.4. Copyright © 2016 John Wiley & Sons, Ltd. PMID:26748824

  19. Investigation on the interaction between isorhamnetin and bovine liver catalase by spectroscopic techniques under different pH conditions.

    PubMed

    Yang, Yumin; Li, Daojin

    2016-08-01

    The binding of isorhamnetin to bovine liver catalase (BLC) was first investigated at 302, 310 and 318 K at pH 7.4 using spectroscopic methods including fluorescence spectra, circular dichroism (CD) and UV-vis absorption. Spectrophotometric observations are rationalized mainly in terms of a static quenching process. The binding constants and binding sites were evaluated by fluorescence quenching methods. Enzymatic activity of BLC in the absence and presence of isorhamnetin was measured using a UV/vis spectrophotometer. The result revealed that the binding of isorhamnetin to BLC led to a reduction in the activity of BLC. The positive entropy change and enthalpy change indicated that the interaction of isorhamnetin with BLC was mainly driven by hydrophobic forces. The distance r between the donor (BLC) and acceptor (isorhamnetin) was estimated to be 2.99 nm according to fluorescence resonance energy transfer. Fluorescence, synchronous fluorescence, and CD spectra showed no obvious change in the conformation of BLC upon the binding of isorhamnetin. In addition, the influence of pH on the binding of isorhamnetin to BLC was investigated and the binding ability of the drug to BLC deceased under other pH conditions (pH 9.0, 6.5, 5.0, 3.5, or 2.0) as compared with that at pH 7.4. Copyright © 2016 John Wiley & Sons, Ltd.

  20. Development of Laser Spectroscopic Techniques and Their Application to the Study of Self-Organizing Molecular Assemblies.

    NASA Astrophysics Data System (ADS)

    Reed, Wayne Frederick

    Laser spectroscopic techniques have been developed and adapted to computer based data gathering, reduction and analysis. The systems implemented are a laser flash photolysis and transient dichroism spectrometer, a single photon counting spectrometer for determination of fluorescence lifetimes and time-resolved fluorescence polarization anisotropy, and a light scattering system for both static and dynamic measurements. These techniques have been concerted to study self-organizing molecular assemblies, particularly surfactant vesicles. Quaternary ammonium surfactant monomers with polymerizable styrene moieties on the headgroup have been sonicated into unilamellar vesicles and these in turn have been photopolymerized by both steady state and pulsed laser irradiation. The detailed kinetics of photopolymerization have been determined and a model developed which permits, in conjunction with the laser spectroscopic data, the characterization of the process in terms of average polymer chain length, quantum efficiency of free radical formation, free radical lifetime, and a characteristic rate parameter. Subsequent to characterizing and modelling the photopolymerization process the consequences of it on vesicle surface properties have been investigated with molecular probes. Strong evidence has been obtained that indicates that photopolymerization leads to the formation of clefts or pockets on the vesicle surface and to extensive surface inhomogeneity. Based on the experimental data, a computer simulation has been developed to help graphically visualize the photopolymerization process and to semi-quantitatively characterize the resulting surface inhomogeneity. As a first step in exploring the possibilities opened up by the discovery of clefts in the vesicle surface, the interaction between a photoexcitable proton transfer agent, 8-hydroxy-1,3,6 - pyrenetrisulfonate (POH), and vesicles has been studied. In unpolymerized vesicles POH loses its proton ejection capacity after

  1. An in-line micro-pyrolysis system to remove contaminating organic species for precise and accurate water isotope analysis by spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Panetta, R. J.; Hsiao, G.

    2011-12-01

    Trace levels of organic contaminants such as short alcohols and terpenoids have been shown to cause spectral interference in water isotope analysis by spectroscopic techniques. The result is degraded precision and accuracy in both δD and δ18O for samples such as beverages, plant extracts or slightly contaminated waters. An initial approach offered by manufacturers is post-processing software that analyzes spectral features to identify and flag contaminated samples. However, it is impossible for this software to accurately reconstruct the water isotope signature, thus it is primarily a metric for data quality. Here, we describe a novel in-line pyrolysis system (Micro-Pyrolysis Technology, MPT) placed just prior to the inlet of a cavity ring-down spectroscopy (CRDS) analyzer that effectively removes interfering organic molecules without altering the isotope values of the water. Following injection of the water sample, N2 carrier gas passes the sample through a micro-pyrolysis tube heated with multiple high temperature elements in an oxygen-free environment. The temperature is maintained above the thermal decomposition threshold of most organic compounds (≤ 900 oC), but well below that of water (~2000 oC). The main products of the pyrolysis reaction are non-interfering species such as elemental carbon and H2 gas. To test the efficacy and applicability of the system, waters of known isotopic composition were spiked with varying amounts of common interfering alcohols (methanol, ethanol, propanol, hexanol, trans-2-hexenol, cis-3-hexanol up to 5 % v/v) and common soluble plant terpenoids (carveol, linalool, geraniol, prenol). Spiked samples with no treatment to remove the organics show strong interfering absorption peaks that adversely affect the δD and δ18O values. However, with the MPT in place, all interfering absorption peaks are removed and the water absorption spectrum is fully restored. As a consequence, the δD and δ18O values also return to their original

  2. Element-selective trace detection of toxic species in environmental samples using chromatographic techniques and derivative diode laser absorption spectrometry

    NASA Astrophysics Data System (ADS)

    Koch, J.; Zybin, A.; Niemax, K.

    1998-10-01

    Very sensitive laser absorption techniques based on a double-beam scheme with logarithmic processing of the detector signals and wavelength modulation of laser diodes are presented. Detection limits equivalent to 10-7 absorption per square root of detection bandwidth are obtained if sufficient laser power is available and if the absorption is also subject to additional modulation. The analytical versatility of these techniques is demonstrated by quantitative analysis of very low concentrations of (i) Cr(VI) species in tap water and (ii) chlorinated poly-aromatics (chlorophenols) in plant extracts, both after chromatographic separation. The atomic absorption measurements were performed in an air-acetylene flame (Cr) and in a low-pressure microwave-induced plasma (chlorophenols).

  3. Soft X-ray absorption spectroscopic studies with different probing depths: Effect of an electrolyte additive on electrode surfaces

    NASA Astrophysics Data System (ADS)

    Yogi, Chihiro; Takamatsu, Daiko; Yamanaka, Keisuke; Arai, Hajime; Uchimoto, Yoshiharu; Kojima, Kazuo; Watanabe, Iwao; Ohta, Toshiaki; Ogumi, Zenpachi

    2014-02-01

    A solid electrolyte interphase (SEI) formed on a model LiCoO2 electrode was analyzed by the ultra-soft X-ray absorption spectroscopy (XAS). The data of Li K-, B K-, C K-, O K-, and Co L-edges spectra for the SEI film on the electrode were collected using three detection methods with different probing depths. The electrode was prepared by a pulsed laser deposition method. All the spectral data consistently indicated that the SEI film containing lithium carbonate was instantly formed just after the soak of the electrode into the electrolyte solution and that it decomposed during the repeated charge-discharge reactions. The decomposition of the SEI film seems to cause the deterioration in lithium ion battery cycle performance. By adding lithium bis(oxalate) borate (LiBOB) to the electrolyte the decomposition could be suppressed leading to longer cycle life. It was found that some of the Co ions at the electrode surface were reduced to Co(II) during the charge-discharge reactions and this reaction could also be suppressed by the addition of LiBOB.

  4. X-ray absorption and X-ray photoelectron spectroscopic study of arsenic mobilization during mackinawite (FeS) oxidation.

    PubMed

    Jeong, Hoon Y; Han, Young-Soo; Hayes, Kim F

    2010-02-01

    In this study we investigated the speciation of the solid-phase As formed by reacting 2 x 10(-4) M As(III) with 1.0 g/L mackinawite and the potential for these sorbed species to be mobilized (released into the aqueous phase) upon exposure to atmospheric oxygen at pH 4.9, 7.1, and 9.1. Before oxygen exposure, X-ray absorption spectroscopy (XAS) and X-ray photoelectron spectroscopy (XPS) analyses indicated that As(III) was removed from the aqueous phase by forming As(0), AsS, and surface precipitates as thioarsenites at pH 4.9 and As(0) and thioarsenite surface precipitates at pH 7.1 and 9.1. When oxygen was introduced, XAS analysis indicated that As(0) and the surface precipitates were quickly transformed, whereas AsS was persistent. During intermediate oxygen exposure times, dissolved As increased at pH 4.9 and 7.1 due to the rapid oxidation of As(0) and the slow precipitation of iron (oxyhydr)oxides, the oxidation products of mackinawite. This indicates that oxidative mobilization is a potential pathway for arsenic contamination of water at acidic to neutral pH. The mobilized As was eventually resorbed by forming edge-sharing and double-corner-sharing surface complexes with iron (oxyhydr)oxides.

  5. X-ray absorption spectroscopic evidence for the complexation of Hg(II) by reduced sulfur in soil humic substances

    SciTech Connect

    Xia, K.; Skyllberg, U.L.; Bleam, W.F.; Helmke, P.A.; Bloom, P.R.; Nater, E.A.

    1999-01-15

    Analysis of Hg(II) complexed by a soil humic acid (HA) using synchrotron-based X-ray absorption spectroscopy (XAS) revealed the importance of reduces sulfur functional groups (thiol (R-SH) and disulfide (R-SS-R)/disulfane (R-SSH)) in humic substances in the complexation of Hg(II). A two-coordinate binding environment with one oxygen atom and one sulfur atom at distances of 2.02 and 2.38 {angstrom}, respectively, was found in the first coordination shell of Hg(II) complexed by humic acid. Model calculations show that a second coordination sphere could contain one carbon atom and a second sulfur atom at 2.78 and 2.93 {angstrom}, respectively. This suggests that in addition to thiol S, disulfide/disulfane S may be involved with the complexation of Hg(II) in soil organic matter. The appearance of carbon atom in the second coordination shell suggests that one O-containing ligand such as carboxyl and phenol ligands rather than H{sub 2}O molecule is bound to the Hg(II). The involvement of oxygen ligand in addition to the reduced S ligands in the complexation of Hg(II) is due to the low density of reduced S ligands in humic substances. The XAS results from this experiment provided direct molecular level evidence for the preference of reduced S functional groups over oxygen ligands by Hg(II) in the complexation with humic substances.

  6. Atomic absorption spectroscopic, conductometric and colorimetric methods for determination of fluoroquinolone antibiotics using ammonium reineckate ion-pair complex formation

    NASA Astrophysics Data System (ADS)

    Ragab, Gamal H.; Amin, Alaa S.

    2004-03-01

    Three accurate, rapid and simple atomic absorption spectrometric, conductometric and colorimetric methods were developed for the determination of norfloxacin (NRF), ciprofloxacin (CIP), ofloxacin (OFL) and enrofloxacin (ENF). The proposed methods depend upon the reaction of ammonium reineckate with the studied drugs to form stable precipitate of ion-pair complexes, which was dissolved in acetone. The pink coloured complexes were determined either by AAS or colorimetrically at λmax 525 nm directly using the dissolved complex. Using conductometric titration, the studied drugs could be evaluated in 50% (v/v) acetone in the range 5.0-65, 4.0-48, 5.0-56 and 6.0-72 μg ml -1 of NRF, CPF, OFL and ENF, respectively. The optimizations of various experimental conditions were described. The results obtained showed good recoveries of 99.15±1.15, 99.30±1.40, 99.60±1.50, and 99.00±1.25% with relative standard deviations of 0.81, 1.06, 0.97, and 0.69% for NRF, CPF, OFL, and ENF, respectively. Applications of the proposed methods to representative pharmaceutical formulations are successfully presented.

  7. The chemical environment of iron in mineral fibres. A combined X-ray absorption and Mössbauer spectroscopic study.

    PubMed

    Pollastri, Simone; D'Acapito, Francesco; Trapananti, Angela; Colantoni, Ivan; Andreozzi, Giovanni B; Gualtieri, Alessandro F

    2015-11-15

    Although asbestos represents today one of the most harmful contaminant on Earth, in 72% of the countries worldwide only amphiboles are banned while controlled use of chrysotile is allowed. Uncertainty on the potential toxicity of chrysotile is due to the fact that the mechanisms by which mineral fibres induces cyto- and geno-toxic damage are still unclear. We have recently started a long term project aimed at the systematic investigation of the crystal-chemistry, bio-interaction and toxicity of the mineral fibres. This work presents a systematic structural investigation of iron in asbestos and erionite (considered the most relevant mineral fibres of social and/or economic-industrial importance) using synchrotron X-ray absorption and Mössbauer spectroscopy. In all investigated mineral fibres, iron in the bulk structure is found in octahedral sites and can be made available at the surface via fibre dissolution. We postulate that the amount of hydroxyl radicals released by the fibers depends, among other factors, upon their dissolution rate; in relation to this, a ranking of ability of asbestos fibres to generate hydroxyl radicals, resulting from available surface iron, is advanced: amosite > crocidolite ≈ chrysotile > anthophyllite > tremolite. Erionite, with a fairly high toxicity potential, contains only octahedrally coordinated Fe(3+). Although it needs further experimental evidence, such available surface iron may be present as oxide nanoparticles coating and can be a direct cause of generation of hydroxyl radicals when such coating dissolves.

  8. Compressed shell conditions extracted from spectroscopic analysis of Ti K-shell absorption spectra with evaluation of line self-emission

    NASA Astrophysics Data System (ADS)

    Johns, H. M.; Mancini, R. C.; Hakel, P.; Nagayama, T.; Smalyuk, V. A.; Regan, S. P.; Delettrez, J.

    2014-08-01

    Ti-doped tracer layers embedded in the shell at varying distances from the fuel-shell interface serve as a spectroscopic diagnostic for direct-drive experiments conducted at OMEGA. Detailed modeling of Ti K-shell absorption spectra produced in the tracer layer considers n = 1-2 transitions in F- through Li-like Ti ions in the 4400-4800 eV range, both including and excluding line self-emission. Testing the model on synthetic spectra generated from 1-D LILAC hydrodynamic simulations reveals that the model including self-emission best reproduces the simulation, while the model excluding self-emission overestimates electron temperature Te and density Ne to a higher degree for layers closer to the core. The prediction of the simulation that the magnitude of Te and duration of Ti absorption will be strongly tied to the distance of the layer from the core is consistent with the idea that regions of the shell close to the core are more significantly heated by thermal transport out of the hot dense core, but more distant regions are less affected by it. The simulation predicts more time variation in the observed Te, Ne conditions in the compressed shell than is observed in the experiment, analysis of which reveals conditions remain in the range Te = 400-600 eV and Ne = 3.0-10.0 × 1024 cm-3 for all but the most distant Ti-doped layer, with error bars ˜5% Te value and ˜10% Ne on average. The Te, Ne conditions of the simulation lead to a greater degree of ionization for zones close to the core than occurs experimentally, and less ionization for zones far from the core.

  9. Insights to Superconducting Radio-Frequency Cavity Processing from First Principles Calculations and Spectroscopic Techniques

    SciTech Connect

    Ford, Denise Christine

    2013-03-01

    Insights to the fundamental processes that occur during the manufacturing of niobium superconducting radio-frequency (SRF) cavities are provided via analyses of density functional theory calculations and Raman, infrared, and nuclear magnetic resonance (NMR) spectra. I show that during electropolishing fluorine is bound and released by the reaction of the acid components in the solution: HF + H2SO4 <-> HFSO3 + H2O. This result implies that new recipes can possibly be developed on the principle of controlled release of fluorine by a chemical reaction. I also show that NMR or Raman spectroscopy can be used to monitor the free fluorine when polishing with the standard electropolishing recipe. Density functional theory was applied to calculate the properties of common processing impurities – hydrogen, oxygen, nitrogen, and carbon – in the niobium. These impurities lower the superconducting transition temperature of niobium, and hydride precipitates are at best weakly superconducting. I modeled several of the niobium hydride phases relevant to SRF cavities, and explain the phase changes in the niobium hydrogen system based on the charge transfer between niobium and hydrogen and the strain field inside of the niobium. I also present evidence for a niobium lattice vacancy serving as a nucleation center for hydride phase formation. In considering the other chemical impurities in niobium, I show that the absorption of oxygen into a niobium lattice vacancy is preferred over the absorption of hydrogen, which indicates that oxygen can block these phase nucleation centers. I also show that dissolved oxygen atoms can trap dissolved hydrogen atoms to prevent niobium hydride phase formation. Nitrogen and carbon were studied in less depth, but behaved similarly to oxygen. Based on these results and a literature survey, I propose a mechanism for the success of the low-temperature anneal applied to niobium SRF cavities. Finally, I

  10. Spatially-resolved spectroscopic technique for measuring optical properties of food

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Quantification of optical properties is important to understand light interaction with biological materials, and to develop effective optical sensing techniques for property characterization and quality measurement of food products. This chapter reviews spatially-resolved method, with the focus on f...

  11. Reflective and photoacoustic infrared spectroscopic techniques in assessment of binding media in paintings

    NASA Astrophysics Data System (ADS)

    Łojewski, Tomasz; Bagniuk, Jacek; Kołodziej, Andrzej; Łojewska, Joanna

    2011-11-01

    This study proposes a method to estimate the lipid content in binding media in paintings that can be used at any laboratory equipped with an infrared spectrometer. The lipid content estimator, termed greasiness index (GI), is defined as a ratio of lipid ν(C=O) and protein amide I bands at 1743 and 1635 cm-1, respectively. Three Fourier transform infrared (FTIR) sampling techniques were evaluated for GI determination: reflective attenuated total reflection—ATR, specular reflection microscopy— μSR and photoacoustic—PAS. A set of model painting samples containing three tempera binding media (casein, egg, egg + oil), seven pigments and one varnish type were used in the study. Multivariate analysis was used to evaluate the resulting data. A good reproducibility of GI was obtained by ATR and PAS but not with μSR. The discriminative power of the technique is higher for unvarnished samples, but, generally, the GI estimator can be used for the categorisation of binding media in large populations of painting samples analysed with the same FTIR technique (sampling technique, detection, etc.).

  12. Local structural studies of the cubic Cd1–xCaxO system through Cd K-edge extended X-ray absorption spectroscopic studies

    PubMed Central

    Srihari, Velaga; Sridharan, V.; Nomura, Masaharu; Sastry, V. Sankara; Sundar, C. S

    2012-01-01

    Cd K-edge extended X-ray absorption fine-structure spectroscopic studies were carried out on Cd1–xCaxO (0 ≤ x ≤0.9) solid solutions and the first and second nearest neighbour (NN) distances and their mean square relative displacement σ2 were estimated. The first NN distance, d Cd–O(x), was found to be smaller than its expected value, a(x)/2, obtained from the X-ray diffraction measurements. It increases monotonically and non-linearly with a negative curvature, comparable with that of the a(x) value variation. The variation σ2 of the 1NN with x is consistent with a disordered solid solution model. The 2NN distances d Cd–Cd(x) and d Cd–Ca(x) are found to follow the average values obtained by X-ray diffraction with d Cd–Ca(x) > d Cd–Cd(x). From detailed analysis it is argued that the solid solution exhibits a bimodal distribution of the 1NN distances, d Cd–O(x) and d Ca–O(x), and that the system belongs to a persistent type. PMID:22713887

  13. X-ray absorption spectroscopic analyses and fluorescence emission characteristics of PbO-Bi203-Ga203 glasses doped with rare-earth ions

    NASA Astrophysics Data System (ADS)

    Choi, Yong Gyu; Kim, Kyong-Hon; Chernov, Vladimir A.; Heo, Jong

    1999-12-01

    A representative of heavy metal oxide glasses, i.e., a PbO- Bi2O3-Ga2O3 glass, was investigated to identify the network structure of the glass and the electronic transition properties of rare-earth ions doped. X-ray absorption spectroscopic analyses showed that gallium forms GaO4 tetrahedral units with an average Ga-O bond length of approximately 1.87 A. Lead forms both PbO3 and PbO4 polyhedra, but the fraction of PbO4 decreases with decreasing PbO content. Bismuth in glasses constructs BiO5 and BiO6 polyhedra, which have a similar coordination scheme of the (alpha) -Bi2O3 crystal. Formation of three-coordinated oxygens is necessary to compensate shortage of oxygens to be two-fold coordinated. These glasses exhibit a relatively good thermal stability as well as the lowest phonon energy among oxide glasses, and thereby enhance numerous fluorescence emissions that are quenched in the conventional oxide glasses. Magnitudes of multiphonon relaxation are the lowest among oxide glasses and comparable to those of fluoride glasses. Fluorescence emission characteristics of Pr3+: 1.3 micrometer and Er3+: 2.7 micrometer were discussed in detail. In addition, influence of OH- on the Nd3+: 1.3 micrometer emission was analyzed. Further research efforts on impurity minimization and fiberization may realize a new oxide-based fiber-optic host.

  14. Combined X-Ray and Raman Spectroscopic Techniques for the Characterization of Sea Spray Aerosol

    NASA Astrophysics Data System (ADS)

    Aller, J. Y.; Alpert, P. A.; Knopf, D. A.; Kilthau, W.; Bothe, D.; Charnawskas, J. C.; Gilles, M. K.; OBrien, R. E.; Moffet, R.; Radway, J.

    2014-12-01

    Sea spray aerosol along with mineral dust dominates the global mass flux of particles to the atmosphere. Marine aerosol particles are of particular interest because of their continual impact on cloud formation, precipitation, atmospheric chemical processes, and thus global climate. Here we report on the physical/chemical characteristics of sub-surface waters, aerosolized sea spray particles, and particles/organic species present in surface microlayer (SML) samples collected during oceanic field campaigns and generated during laboratory experiments, revealing a biogenic primary source of the organic fraction of airborne particles. We also report on ice nucleation experiments with aerosolized particles collected during the May 2014 WACS II North Atlantic cruise and with laboratory generated exudate material from diatom cultures with the potential to impact cirrus and mixed phase clouds. Physicochemical analyses using a multi-modal approach which includes Scanning Transmission X-ray Microscopy coupled with Near-Edge Absorption Fine Structure Spectroscopy (STXM/NEXAFS) and Raman spectroscopy confirm the presence and chemical similarity of polysaccharide-rich transparent exopolymer (TEP) material and proteins in both SML sea spray aerosol and ice forming aerosol particles, regardless of the extent of biological activity in surface waters. Our results demonstrate a direct relationship between the marine environment and composition of marine aerosol through primary particle emission.

  15. The Pleiades Using Astronomical Spectroscopic Technique within the Range of H-α Region

    NASA Astrophysics Data System (ADS)

    Zambri Zainuddin, Mohd; Muhyidin, Meer Ashwinkumar; Ahmad, Nazhatulshima; Mohd Saadon, Mohd Hafiz

    2011-03-01

    The Pleiades is an open star cluster located in the constellation of Taurus, which mainly consists of hot and luminous B-type stars. Observations were conducted over five-day period in December 2009 at Langkawi National Observatory, Malaysia by using 20-inch telescope diameter of Ritchey-Chrétien reflector telescope, together with SBIG Self Guided Spectrograph and SBIG ST-7 CCD camera. The spectra of seven main members of the cluster, namely Alcyone; Atlas; Celaeno; Electra; Maia; Merope and Taygeta; and of Alcyone B; a smaller component of Alcyone quadruple system, were obtained in the optical range of approximately 6300 A˚ to 7100 A˚. This range was picked due to the vicinity of Balmer H-α spectral line at 6562.852 A˚. Alcyone, Electra and Merope were found to have H-α emissions possibly caused by the presence of equatorial circumstellar disks or envelopes made up of ejected matter. Electra and Merope in particular exhibited peculiar asymmetric double emission peaks, which could be evidence of one-armed density wave in each of their circumstellar disks. Atlas, Celaeno, Merope, Taygeta and Alcyone B showed strong H-α absorptions with broadening characteristic of high rotational velocities. As deduced from the spectra, the stars were found to have atmospheres with similar chemical content, with spectral lines characteristics of singly ionized silicon, singly ionized iron and singly ionized oxygen. The measured radial velocities of all eight stars also suggest that the cluster could someday disperse.

  16. Interaction of oridonin with human serum albumin by isothermal titration calorimetry and spectroscopic techniques.

    PubMed

    Li, Xiangrong; Yang, Zhenhua

    2015-05-01

    Oridonin has been traditionally and widely used for treatment of various human diseases due to its uniquely biological, pharmacological and physiological functions. In this study, the interaction between oridonin and human serum albumin (HSA) was investigated using isothermal titration calorimetry (ITC), in combination with fluorescence spectroscopy and UV-vis absorption spectroscopy. We found that the hydrogen bond and van der Waals force are the major binding forces in the binding of oridonin to HSA. The binding of oridonin to HSA is driven by favorable enthalpy and unfavorable entropy. Oridonin can quench the fluorescence of HSA through a static quenching mechanism. The binding constant between oridonin and HSA is moderate and the equilibrium fraction of unbound oridonin f(u) > 60%. Binding site I is found to be the primary binding site for oridonin. Additionally, oridonin may induce conformational changes of HSA and affect its biological function as the carrier protein. The results of the current study suggest that oridonin can be stored and transported from the circulatory system to reach its target organ to provide its therapeutic effects. But its side-effect in the clinics cannot be overlook. The study provides an accurate and full basic data for clarifying the binding mechanism of oridonin with HSA and is helpful for understanding its effect on protein function during the blood transportation process and its biological activity in vivo.

  17. The Pleiades Using Astronomical Spectroscopic Technique within the Range of H-{alpha} Region

    SciTech Connect

    Zambri Zainuddin, Mohd; Muhyidin, Meer Ashwinkumar; Ahmad, Nazhatulshima; Mohd Saadon, Mohd Hafiz

    2011-03-30

    The Pleiades is an open star cluster located in the constellation of Taurus, which mainly consists of hot and luminous B-type stars. Observations were conducted over five-day period in December 2009 at Langkawi National Observatory, Malaysia by using 20-inch telescope diameter of Ritchey-Chretien reflector telescope, together with SBIG Self Guided Spectrograph and SBIG ST-7 CCD camera. The spectra of seven main members of the cluster, namely Alcyone; Atlas; Celaeno; Electra; Maia; Merope and Taygeta; and of Alcyone B; a smaller component of Alcyone quadruple system, were obtained in the optical range of approximately 6300 A to 7100 A. This range was picked due to the vicinity of Balmer H-{alpha} spectral line at 6562.852 A. Alcyone, Electra and Merope were found to have H-{alpha} emissions possibly caused by the presence of equatorial circumstellar disks or envelopes made up of ejected matter. Electra and Merope in particular exhibited peculiar asymmetric double emission peaks, which could be evidence of one-armed density wave in each of their circumstellar disks. Atlas, Celaeno, Merope, Taygeta and Alcyone B showed strong H-{alpha} absorptions with broadening characteristic of high rotational velocities. As deduced from the spectra, the stars were found to have atmospheres with similar chemical content, with spectral lines characteristics of singly ionized silicon, singly ionized iron and singly ionized oxygen. The measured radial velocities of all eight stars also suggest that the cluster could someday disperse.

  18. Study on the Interaction between Isatin-β-Thiosemicarbazone and Calf Thymus DNA by Spectroscopic Techniques

    PubMed Central

    Pakravan, Parvaneh; Masoudian, Shahla

    2015-01-01

    The interaction between isatin-β-thiosemicarbazone (IBT) and calf thymus DNA (CT-DNA) was investigated in physiological buffer (pH 7.4) using Neutral Red (NR) dye as a spectral probe by UV–Vis absorption and fluorescence spectroscopy, as well as viscosity measurements. The IBT is stabilized by intercalation in the DNA (K [IBT –DNA] = 1.03×105 M−1), and displaces the NR dye from the NR–DNA complex. The binding constants Kf and number of binding sites (n≈1) of IBT with DNA were obtained by fluorescence quenching method at different temperatures. Furthermore, the enthalpy and entropy of the reaction between IBT and CT-DNA showed that the reaction is enthalpy-favored and entropy-disfavored. The changes in the base stacking of CT-DNA upon the binding of IBT are reflected in the circular dichroic (CD) spectral studies. The viscosity increase of CT-DNA solution is another evidence to indicate that, IBT is able to be intercalated in the DNA base pairs. PMID:25561917

  19. Identification of polycyclic aromatic hydrocarbons (PAHs) in suspended particulate matter by synchronous fluorescence spectroscopic technique

    NASA Astrophysics Data System (ADS)

    Sharma, Homdutt; Jain, V. K.; Khan, Zahid H.

    2007-09-01

    The synchronous fluorescence (SF) technique has been used in the identification of polycyclic aromatic hydrocarbons (PAHs) from air particulate sample in an urban environment of Delhi, Jawaharlal Nehru University. Suspended particulate matter samples of 24 h duration were collected on glass fiber filter papers. PAHs were extracted from the filter papers using dichloromethane (DCM) + hexane with ultrasonication method. Qualitative measurements of the polycyclic aromatic hydrocarbons (PAHs) were carried out using the SF technique at various wavelength intervals (Δ λ). Due to the difference in chemical structure, each PAH gives specific characteristic spectrum for each Δ λ. Following PAHs were detected in our measurement: benz(a)anthracene (BaA), pyrene (Pyr), chrysene (Chry), fluoranthene (Flan), phenanthrene (Phen), and benz(ghi)perylene (BghiP). This is in agreement with our earlier work for determination of these PAHs using gas chromatography (GC). The seasonal variation of the PAHs was found to be maximum in winter and minimum during the monsoon.

  20. Murillo's paintings revealed by spectroscopic techniques and dedicated laboratory-made micro X-ray diffraction.

    PubMed

    Duran, A; Siguenza, M B; Franquelo, M L; Jimenez de Haro, M C; Justo, A; Perez-Rodriguez, J L

    2010-06-25

    This paper describes one of the first case studies using micro-diffraction laboratory-made systems to analyse painting cross-sections. Pigments, such as lead white, vermilion, red ochre, red lac, lapis lazuli, smalt, lead tin yellow type I, massicot, ivory black, lamp black and malachite, were detected in cross-sections prepared from six Bartolomé Esteban Murillo paintings by micro-Raman and micro-XRD combined with complementary techniques (optical microscopy, SEM-EDS, and FT-IR). The use of micro-XRD was necessary due to the poor results obtained with conventional XRD. In some cases, pigment identification was only possible by combining results from the different analytical techniques utilised in this study.

  1. Murillo's paintings revealed by spectroscopic techniques and dedicated laboratory-made micro X-ray diffraction.

    PubMed

    Duran, A; Siguenza, M B; Franquelo, M L; Jimenez de Haro, M C; Justo, A; Perez-Rodriguez, J L

    2010-06-25

    This paper describes one of the first case studies using micro-diffraction laboratory-made systems to analyse painting cross-sections. Pigments, such as lead white, vermilion, red ochre, red lac, lapis lazuli, smalt, lead tin yellow type I, massicot, ivory black, lamp black and malachite, were detected in cross-sections prepared from six Bartolomé Esteban Murillo paintings by micro-Raman and micro-XRD combined with complementary techniques (optical microscopy, SEM-EDS, and FT-IR). The use of micro-XRD was necessary due to the poor results obtained with conventional XRD. In some cases, pigment identification was only possible by combining results from the different analytical techniques utilised in this study. PMID:20541637

  2. Nanoflaky MnO2/functionalized carbon nanotubes for supercapacitors: an in situ X-ray absorption spectroscopic investigation.

    PubMed

    Chang, Han-Wei; Lu, Ying-Rui; Chen, Jeng-Lung; Chen, Chi-Liang; Lee, Jyh-Fu; Chen, Jin-Ming; Tsai, Yu-Chen; Chang, Chien-Min; Yeh, Ping-Hung; Chou, Wu-Ching; Liou, Ya-Hsuan; Dong, Chung-Li

    2015-02-01

    The surfaces of acid- and amine-functionalized carbon nanotubes (C-CNT and N-CNT) were decorated with MnO2 nanoflakes as supercapacitors by a spontaneous redox reaction. C-CNT was found to have a lower edge plane structure and fewer defect sites than N-CNT. MnO2/C-CNT with a highly developed surface area exhibited favorable electrochemical performance. To determine the atomic/electronic structures of the MnO2/functionalized CNTs (MnO2/C-CNT and MnO/N-CNT) during the charge/discharge process, in situ X-ray absorption spectroscopy (XAS) measurements were made at the Mn K-edge. Both C-CNT and N-CNT are highly conductive. The effect of the scan rate on the capacitance behavior was also examined, revealing that the π* state of CNT and the size of the tunnels in pseudo-capacitor materials (which facilitate conduction and the transport of electrolyte ions) are critical for the capacitive performance, and their role depends on the scan rate. In the slow charge/discharge process, MnO2/N-CNT has a more symmetrical rectangular cyclic voltammetry (CV) curve. In the fast charge/discharge process, MnO2/C-CNT with a highly developed surface provides fast electronic and ionic channels that support a reversible faradaic redox reaction between MnO2 nanoflakes and the electrolyte, significantly enhancing its capacitive performance over that of MnO2/N-CNT. The MnO2/C-CNT architecture has great potential for supercapacitor applications. The information that was obtained herein helps to elucidate CNT surface modification and the design of the MnO2/functionalized CNT interface with a view for the further development of supercapacitors. This work, and especially the combination of CV with in situ XAS measurements, will be of value to readers with an interest in nanomaterial, nanotechnology and their applications in energy storage.

  3. Quantitative determination of copper in a glass matrix using double pulse laser induced breakdown and electron paramagnetic resonance spectroscopic techniques.

    PubMed

    Khalil, Ahmed A I; Morsy, Mohamed A

    2016-07-01

    A series of lithium-lead-borate glasses of a variable copper oxide loading were quantitatively analyzed in this work using two distinct spectroscopic techniques, namely double pulse laser induced breakdown spectroscopy (DP-LIBS) and electron paramagnetic resonance (EPR). DP-LIBS results measured upon a combined nanosecond lasers irradiation running at 266nm and 1064nm pulses of a collinear configuration directed to the surface of borate glass samples with a known composition. This arrangement was employed to predict the electron's temperature (Te) and density (Ne) of the excited plasma from the recorded spectra. The intensity of elements' responses using this scheme is higher than that of single-pulse laser induced breakdown spectroscopy (SP-LIBS) setup under the same experimental conditions. On the other hand, the EPR data shows typical Cu (II) EPR-signals in the borate glass system that is networked at a distorted tetragonal Borate-arrangement. The signal intensity of the Cu (II) peak at g⊥=2.0596 has been used to quantify the Cu-content accurately in the glass matrix. Both techniques produced linear calibration curves of Cu-metals in glasses with excellent linear regression coefficient (R(2)) values. This study establishes a good correlation between DP-LIBS analysis of glass and the results obtained using EPR spectroscopy. The proposed protocols prove the great advantage of DP-LIBS system for the detection of a trace copper on the surface of glasses. PMID:27154655

  4. Quantitative filter technique measurements of spectral light absorption by aquatic particles using a portable integrating cavity absorption meter (QFT-ICAM).

    PubMed

    Röttgers, Rüdiger; Doxaran, David; Dupouy, Cecile

    2016-01-25

    The accurate determination of light absorption coefficients of particles in water, especially in very oligotrophic oceanic areas, is still a challenging task. Concentrating aquatic particles on a glass fiber filter and using the Quantitative Filter Technique (QFT) is a common practice. Its routine application is limited by the necessary use of high performance spectrophotometers, distinct problems induced by the strong scattering of the filters and artifacts induced by freezing and storing samples. Measurements of the sample inside a large integrating sphere reduce scattering effects and direct field measurements avoid artifacts due to sample preservation. A small, portable, Integrating Cavity Absorption Meter setup (QFT-ICAM) is presented, that allows rapid measurements of a sample filter. The measurement technique takes into account artifacts due to chlorophyll-a fluorescence. The QFT-ICAM is shown to be highly comparable to similar measurements in laboratory spectrophotometers, in terms of accuracy, precision, and path length amplification effects. No spectral artifacts were observed when compared to measurement of samples in suspension, whereas freezing and storing of sample filters induced small losses of water-soluble pigments (probably phycoerythrins). Remaining problems in determining the particulate absorption coefficient with the QFT-ICAM are strong sample-to-sample variations of the path length amplification, as well as fluorescence by pigments that is emitted in a different spectral region than that of chlorophyll-a.

  5. The analytical investigations of ancient pottery from Kaveripakkam, Vellore dist, Tamilnadu by spectroscopic techniques.

    PubMed

    Ravisankar, R; Naseerutheen, A; Annamalai, G Raja; Chandrasekaran, A; Rajalakshmi, A; Kanagasabapathy, K V; Prasad, M V R; Satpathy, K K

    2014-01-01

    Analytical investigations using Fourier Transform infrared spectroscopy (FT-IR), Powder X-ray Diffraction (PXRD), Thermal Analysis (TG-DTA), Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Fluorescence Spectrometry (EDXRF) were carried out on ancient pottery fragments from Kaveripakkam, in order to outline manufacturing skills, technology information, firing condition and temperature of potteries. The whole set of data showed the firing temperature in the range of 800-900°C. The analytical characterization of the potsherds, by different complimentary techniques has allowed to identifying the raw materials and technology applied by the ancient artisans.

  6. The analytical investigations of ancient pottery from Kaveripakkam, Vellore dist, Tamilnadu by spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Ravisankar, R.; Naseerutheen, A.; Raja Annamalai, G.; Chandrasekaran, A.; Rajalakshmi, A.; Kanagasabapathy, K. V.; Prasad, M. V. R.; Satpathy, K. K.

    2014-03-01

    Analytical investigations using Fourier Transform infrared spectroscopy (FT-IR), Powder X-ray Diffraction (PXRD), Thermal Analysis (TG-DTA), Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Fluorescence Spectrometry (EDXRF) were carried out on ancient pottery fragments from Kaveripakkam, in order to outline manufacturing skills, technology information, firing condition and temperature of potteries. The whole set of data showed the firing temperature in the range of 800-900 °C. The analytical characterization of the potsherds, by different complimentary techniques has allowed to identifying the raw materials and technology applied by the ancient artisans.

  7. Raman spectroscopic studies of thin film carbon nanostructures deposited using electro deposition technique

    NASA Astrophysics Data System (ADS)

    Dayal, Saurabh; Sasi, Arshali; Jhariya, Sapna; Sasikumar, C.

    2016-05-01

    In the present work our focus is to synthesize carbon nanostructures (CNS) by electro deposition technique without using any surface pretreatment or catalyst preparation before CNS formation. The process were carried out at significantly low voltage and at low temperature as reported elsewhere. Further the samples were characterized using different characterization tools such as SEM and Raman spectroscopy. The SEM results showed the fibres or tubular like morphology. Raman spectra shows strong finger print at 1600 cm-1 (G peak), 1350 cm-1 (D peak) along with the radial breathing mode (RBM) between 150cm-1 to 300 cm-1. This confirms the formation of tubular carbon nanostructures.

  8. Observation of the origin of d0 magnetism in ZnO nanostructures using X-ray-based microscopic and spectroscopic techniques.

    PubMed

    Singh, Shashi B; Wang, Yu-Fu; Shao, Yu-Cheng; Lai, Hsuan-Yu; Hsieh, Shang-Hsien; Limaye, Mukta V; Chuang, Chen-Hao; Hsueh, Hung-Chung; Wang, Hsaiotsu; Chiou, Jau-Wern; Tsai, Hung-Ming; Pao, Chih-Wen; Chen, Chia-Hao; Lin, Hong-Ji; Lee, Jyh-Fu; Wu, Chun-Te; Wu, Jih-Jen; Pong, Way-Faung; Ohigashi, Takuji; Kosugi, Nobuhiro; Wang, Jian; Zhou, Jigang; Regier, Tom; Sham, Tsun-Kong

    2014-08-01

    Efforts have been made to elucidate the origin of d(0) magnetism in ZnO nanocactuses (NCs) and nanowires (NWs) using X-ray-based microscopic and spectroscopic techniques. The photoluminescence and O K-edge and Zn L3,2-edge X-ray-excited optical luminescence spectra showed that ZnO NCs contain more defects than NWs do and that in ZnO NCs, more defects are present at the O sites than at the Zn sites. Specifically, the results of O K-edge scanning transmission X-ray microscopy (STXM) and the corresponding X-ray-absorption near-edge structure (XANES) spectroscopy demonstrated that the impurity (non-stoichiometric) region in ZnO NCs contains a greater defect population than the thick region. The intensity of O K-edge STXM-XANES in the impurity region is more predominant in ZnO NCs than in NWs. The increase in the unoccupied (occupied) density of states at/above (at/below) the conduction-band minimum (valence-band maximum) or the Fermi level is related to the population of defects at the O sites, as revealed by comparing the ZnO NCs to the NWs. The results of O K-edge and Zn L3,2-edge X-ray magnetic circular dichroism demonstrated that the origin of magnetization is attributable to the O 2p orbitals rather than the Zn d orbitals. Further, the local density approximation (LDA) + U verified that vacancies in the form of dangling or unpaired 2p states (due to Zn vacancies) induced a significant local spin moment in the nearest-neighboring O atoms to the defect center, which was determined from the uneven local spin density by analyzing the partial density of states of O 2p in ZnO.

  9. Spectroscopic techniques applied to the characterization of decorated potteries from Caltagirone (Sicily, Italy)

    NASA Astrophysics Data System (ADS)

    Barilaro, D.; Barone, G.; Crupi, V.; Donato, M. G.; Majolino, D.; Messina, G.; Ponterio, R.

    2005-06-01

    The aim of the present work is the characterization of decorated pottery samples from Caltagirone (Sicily, Italy), a renowned production centre of this kind of artwork. These fragments were found during archaeological excavations and were attributed to historical periods extremely far in time from each other (from XVIII century b.C. to XVI a.C.). Therefore, we expect that the manufacture techniques result rather different over so long time. The measurements, performed by Fourier Transform-InfraRed (FT-IR) absorbance and micro-Raman scattering, allowed us a non-destructive study of so precious artefacts. Some pigments were identified, various elements of ceramic paste and glazed layer were characterized.

  10. Study on the interaction of sodium morin-5-sulfonate with bovine serum albumin by spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Shahabadi, Nahid; Mohammadpour, Mahnaz

    2012-02-01

    In the present investigation, an attempt has been made to study the interaction of sodium morin-5-sulfonate (NaMSA) with the transport proteins, bovine serum albumin (BSA) employing UV-vis, fluorometric and circular dichroism (CD) techniques. The experimental results indicated that the quenching mechanism of BSA by the compound was a static procedure. Various binding parameters were evaluated. The negative value of Δ H, positive value of Δ S and the negative value of Δ G indicated that electrostatic interactions and hydrogen bonding play major roles in the binding of the NaMSA and BSA. Based on the Forster's theory of non-radiation energy transfer, the binding distance, r, between the donor (BSA) and acceptor (NaMSA) was evaluated. The results of CD and UV-vis spectroscopy showed that the binding of this complex to BSA induces some conformational changes in BSA.

  11. Study on the interaction of food colourant quinoline yellow with bovine serum albumin by spectroscopic techniques.

    PubMed

    Shahabadi, Nahid; Maghsudi, Maryam; Rouhani, Shohre

    2012-12-01

    The interaction of a food colourant, quinoline yellow (Qy), and bovine serum albumin (BSA) was investigated by spectrophotometry, spectrofluorometry, FT-IR and circular dichroism (CD) techniques. The experimental results indicated that the quenching mechanism of BSA by the dye was a static procedure. Various binding parameters were evaluated. The negative value of ΔH, negative value of ΔS and the negative value of ΔG indicated that van der Waals force and hydrogen bonding play major roles in the binding of Qy and BSA. Based on Forster's theory of non-radiation energy transfer, the binding distance, r, between the donor (BSA) and acceptor (Qy) was evaluated. The results of CD and UV-vis spectroscopy showed that this dye could bind to BSA and the conformation of BSA changed.

  12. Comparison of spectroscopic techniques for the determination of Kjeldahl and ammoniacal nitrogen content of farmyard manure.

    PubMed

    Kemsley, E K; Tapp, H S; Scarlett, A J; Miles, S J; Hammond, R; Wilson, R H

    2001-02-01

    The feasibility of determining the nitrogen content of farmyard manure using infrared spectroscopy was investigated. Fifteen samples each of cattle, pig, and turkey manure were analyzed by three infrared techniques: Fourier transform mid-infrared (MIR), using attenuated total reflection (ATR); near-infrared reflectance (NIR-R); and near-infrared optothermal photoacoustic (NIR-OT). The near-infrared measurements were made at wavelengths determined respectively by four (NIR-OT) and five (NIR-R) band-pass filters. The total nitrogen (using the Kjeldahl method) and volatile (ammoniacal) nitrogen contents of all samples were measured by wet chemistry. Internally cross-validated (ICV) partial least-squares (PLS) regression was then used to obtain calibrations for the nitrogen content. The data sets obtained by each technique were treated separately. Within these sets, data from each manure type were treated both separately and combined: the best predictive ability was obtained by combining data from all three manure types. From the combined data set, the residual standard deviations and correlation coefficients for the ICV-predicted versus actual Kjeldahl nitrogen content were, respectively, 6772 mg/kg dry wt, 0.862 (MIR); 9434 mg/kg dry wt, 0.771 (NIR-OT); and 8943 mg/kg dry wt, 0.865 (NIR-R). For the ammoniacal nitrogen content, the residual standard deviations and correlation coefficients were 3869 mg/kg dry wt, 0.899 (MIR); 6079 mg/kg dry wt, 0.820 (NIR-OT); and 3498 mg/kg dry wt, 0.961 (NIR-R).

  13. Effect of nonlinear absorption on electric field applied lead chloride by Z-scan technique

    SciTech Connect

    Rejeena, I.; Lillibai,; Nampoori, V. P. N.; Radhakrishnan, P.; Rahimkutty, M. H.

    2014-10-15

    The preparation, spectral response and optical nonlinearity of gel grown lead chloride single crystals subjected to electric field of 20V using parallel plate arrangements have been investigated. Optical band gap of the samples were determined using linear absorption spectra. Open aperture z-scan was employed for the determination of nonlinear absorption coefficient of PbCl{sub 2} solution. The normalized transmittance curve exhibits a valley shows reverse saturable absorption. The non linear absorption at different input fluences were recorded using a single Gaussian laser beam in tight focus geometry. The RSA nature of the sample makes it suitable for optical limiting applications.

  14. Effect of nonlinear absorption on electric field applied lead chloride by Z-scan technique

    NASA Astrophysics Data System (ADS)

    Rejeena, I.; Lillibai, Rahimkutty, M. H.; Nampoori, V. P. N.; Radhakrishnan, P.

    2014-10-01

    The preparation, spectral response and optical nonlinearity of gel grown lead chloride single crystals subjected to electric field of 20V using parallel plate arrangements have been investigated. Optical band gap of the samples were determined using linear absorption spectra. Open aperture z-scan was employed for the determination of nonlinear absorption coefficient of PbCl2 solution. The normalized transmittance curve exhibits a valley shows reverse saturable absorption. The non linear absorption at different input fluences were recorded using a single Gaussian laser beam in tight focus geometry. The RSA nature of the sample makes it suitable for optical limiting applications.

  15. Applications of absorption spectroscopy using quantum cascade lasers.

    PubMed

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

    2014-01-01

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

  16. Applications of Absorption Spectroscopy Using Quantum Cascade Lasers.

    PubMed

    2014-10-01

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

  17. Rapid non-destructive assessment of pork edible quality by using VIS/NIR spectroscopic technique

    NASA Astrophysics Data System (ADS)

    Zhang, Leilei; Peng, Yankun; Dhakal, Sagar; Song, Yulin; Zhao, Juan; Zhao, Songwei

    2013-05-01

    The objectives of this research were to develop a rapid non-destructive method to evaluate the edible quality of chilled pork. A total of 42 samples were packed in seal plastic bags and stored at 4°C for 1 to 21 days. Reflectance spectra were collected from visible/near-infrared spectroscopy system in the range of 400nm to 1100nm. Microbiological, physicochemical and organoleptic characteristics such as the total viable counts (TVC), total volatile basic-nitrogen (TVB-N), pH value and color parameters L* were determined to appraise pork edible quality. Savitzky-Golay (SG) based on five and eleven smoothing points, Multiple Scattering Correlation (MSC) and first derivative pre-processing methods were employed to eliminate the spectra noise. The support vector machines (SVM) and partial least square regression (PLSR) were applied to establish prediction models using the de-noised spectra. A linear correlation was developed between the VIS/NIR spectroscopy and parameters such as TVC, TVB-N, pH and color parameter L* indexes, which could gain prediction results with Rv of 0.931, 0.844, 0.805 and 0.852, respectively. The results demonstrated that VIS/NIR spectroscopy technique combined with SVM possesses a powerful assessment capability. It can provide a potential tool for detecting pork edible quality rapidly and non-destructively.

  18. Observational and laboratory studies of optical properties of black and brown carbon particles in the atmosphere using spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Nakayama, Tomoki; Matsumi, Yutaka

    2015-04-01

    Light absorption and scattering by aerosols are as an important contributor to radiation balance in the atmosphere. Black carbon (BC) is considered to be the most potent light absorbing material in the visible region of the spectrum, although light absorbing organic carbon (brown carbon or BrC) and mineral dust may also act as sources of significant absorption, especially in the ultraviolet (UV) and shorter visible wavelength regions. The optical properties of such particles depend on wavelength, particle size and shape, morphology, coating, and complex refractive index (or chemical composition), and therefore accurate in situ measurements of the wavelength dependence of the optical properties of particles are needed. Recently, cavity ring-down spectroscopy (CRDS) and photoacoustic spectroscopy (PAS) have been used for the direct measurements of extinction and absorption coefficients of particles suspended in air. We have applied these techniques to the observational studies of optical properties of BC and BrC in an urban site in Japan and to the laboratory studies of optical properties of secondary organic aerosols (SOAs) generated from a variety of biogenic and anthropogenic volatile organic compounds and those of diesel exhaust particles (DEPs). In the presentation, the basic principles of these techniques and the results obtained in our studies and in the recent literatures will be overviewed. References Guo, X. et al., Measurement of the light absorbing properties of diesel exhaust particles using a three-wavelength photoacoustic spectrometer, Atmos. Environ., 94, 428-437 (2014). Nakayama, T. et al., Measurements of aerosol optical properties in central Tokyo during summertime using cavity ring-down spectroscopy: Comparison with conventional techniques, Atmos. Environ., 44, 3034-3042 (2010). Nakayama, T. et al., Laboratory studies on optical properties of secondary organic aerosols generated during the photooxidation of toluene and the ozonolysis of alpha

  19. Photoacoustic technique for simultaneous measurements of thermal effusivity and absorptivity of pigments in liquid solution.

    PubMed

    Balderas-López, J A; Díaz-Reyes, J; Zelaya-Angel, O

    2011-12-01

    A photoacoustic (PA) methodology, in the transmission configuration, for simultaneous measurements of thermal effusivity and molar absorption coefficient (absorptivity) for pigments in liquid solution is introduced. The analytical treatment involves a self-normalization procedure for the PA signal, as a function of the modulation frequency, for a strong absorbing material in the thermally thin regime, when the light travels across the sample under study. Two fitted parameters are obtained from the analysis of the self-normalized PA amplitude and phase, one of them proportional to the sample's optical absorption coefficient and from which, taking it for a series of samples at different concentrations, the pigment's absorptivity in liquid solution can be measured, the other one yields the sample's thermal effusivity. Methylene blue's absorptivity in distilled water was measured with this methodology at 658 nm, finding good agreement with the corresponding one reported in the literature.

  20. Electrochemical Kinetics and X-ray Absorption Spectroscopic Investigations of Oxygen Reduction on Chalcogen-Modified Ruthenium Catalysts in Alkaline Media

    SciTech Connect

    N Ramaswamy; R Allen; S Mukerjee; Y

    2011-12-31

    The oxygen reduction reaction (ORR) in alkaline media has been investigated on chalcogen-modified ruthenium nanoparticles (Ru/C, Se/Ru/C, Se/RuMo/C, S/Ru/C, S/RuMo/C) synthesized in-house via aqueous routes. In acidic medium, it is well known that modification by a chalcogen prevents the oxidation of the underlying transition-metal (Ru) surface, thereby promoting direct molecular O{sub 2} adsorption on the Ru metal. On an unmodified Ru catalyst in alkaline media, the surface oxides on Ru mediate the 2e{sup -} reduction of molecular O{sub 2} to a stable peroxide anion (HO{sub 2}{sup -}) intermediate via an outer-sphere electron-transfer mechanism. This increases the activity of HO{sub 2}{sup -} near the electrode surface and decreases the overpotential for ORR by effectively carrying out the reduction of HO{sub 2}{sup -} to OH{sup -} at the oxide-free ruthenium metal site. An increase in ORR activity of Ru is observed by modification with a chalcogen; however, the increase is not as significant as observed in acidic media. Ternary additives, such as Mo, were found to significantly improve the stability of the chalcogen-modified catalysts. Detailed investigations of the ORR activity of this class of catalyst have been carried out in alkaline media along with comparisons to acidic media wherever necessary. A combination of electrochemical and X-ray absorption spectroscopic (EXAFS, XANES, {Delta}{mu}) studies has been performed in order to understand the structure/property relationships of these catalysts within the context of ORR in alkaline electrolytes.

  1. Development of advanced laser systems and spectroscopic techniques for combustion diagnostic applications

    NASA Astrophysics Data System (ADS)

    Kulatilaka, Waruna Dasal

    50 ppm in H2/air flames using ERE-CARS. NO ERE-CARS signals were also recorded in heavily sooting C2H2/air flames with minimal background interferences. These findings are very significant for the development of ERE-CARS as a technique for measuring NO concentrations in high-pressure combustion environments.

  2. Binding studies of the anti-retroviral drug, efavirenz to calf thymus DNA using spectroscopic and voltammetric techniques.

    PubMed

    Sadeghi, Marzieh; Bayat, Maryam; Cheraghi, Shekofeh; Yari, Khirollah; Heydari, Rouhollah; Dehdashtian, Sara; Shamsipur, Mojtaba

    2016-02-01

    Interactions between efavirenz (EFZ) with calf thymus DNA (CT-DNA) were investigated in vitro under stimulated physiological conditions using multispectroscopic techniques, cyclic voltammetry viscosity measurement, and gel electrophoresis. Methylene blue and acridine orange dyes were used as spectral probes by fluorescence spectroscopy. Hypochromicity was observed in ultra-violet (UV) absorption band of EFZ. Considerable fluorescence enhancement of EFZ was observed in the presence of increasing amounts of DNA solution and the binding constants (Kf ) and corresponding numbers of binding sites (n) were calculated at different temperatures. Thermodynamic parameters including enthalpy change (ΔH) and entropy change (ΔS) were calculated to be -304.78 kJ mol(-1) and -924.52 J mol(-1)  K(-1) according to the van 't Hoff equation, which indicated that reaction is predominantly enthalpically driven. In addition, UV/vis absorption titration of DNA bases confirmed that EFZ interacted with guanine and cytosine preferentially. Gel electrophoresis of DNA with EFZ demonstrated that EFZ also has the ability to cleave supercoiled plasmid DNA. Circular dichroism study showed stabilization of the right-handed B form of CT-DNA. All results suggest that EFZ interacts with CT-DNA via an intercalative mode of binding.

  3. Measurements of the aerosol chemical composition and mixing state in the Po Valley using multiple spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Decesari, S.; Allan, J.; Plass-Duelmer, C.; Williams, B. J.; Paglione, M.; Facchini, M. C.; O'Dowd, C.; Harrison, R. M.; Gietl, J. K.; Coe, H.; Giulianelli, L.; Gobbi, G. P.; Lanconelli, C.; Carbone, C.; Worsnop, D.; Lambe, A. T.; Ahern, A. T.; Moretti, F.; Tagliavini, E.; Elste, T.; Gilde, S.; Zhang, Y.; Dall'Osto, M.

    2014-04-01

    The use of co-located multiple spectroscopic techniques can provide detailed information on the atmospheric processes regulating aerosol chemical composition and mixing state. So far, field campaigns heavily equipped with aerosol mass spectrometers have been carried out mainly in large conurbations and in areas directly affected by their outflow, whereas lesser efforts have been dedicated to continental areas characterized by a less dense urbanization. We present here the results obtained in San Pietro Capofiume, which is located in a sparsely inhabited sector of the Po Valley, Italy. The experiment was carried out in summer 2009 in the framework of the EUCAARI project ("European Integrated Project on Aerosol, Cloud Climate Aerosol Interaction"). For the first time in Europe, six state-of-the-art techniques were used in parallel: (1) on-line TSI aerosol time-of-flight mass spectrometer (ATOFMS), (2) on-line Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-TOF-AMS), (3) soot particle aerosol mass spectrometer (SP-AMS), (4) on-line high resolution time-of-flight mass spectrometer-thermal desorption aerosol gas chromatograph (HR-ToFMS-TAG), (5) off-line twelve-hour resolution proton nuclear magnetic resonance (H-NMR) spectroscopy, and (6) chemical ionization mass spectrometry (CIMS) for the analysis of gas-phase precursors of secondary aerosol. Data from each aerosol spectroscopic method were analysed individually following ad-hoc tools (i.e. PMF for AMS, Art-2a for ATOFMS). The results obtained from each techniques are herein presented and compared. This allows us to clearly link the modifications in aerosol chemical composition to transitions in air mass origin and meteorological regimes. Under stagnant conditions, atmospheric stratification at night and early morning hours led to the accumulation of aerosols produced by anthropogenic sources distributed over the Po Valley plain. Such aerosols include primary components such as black carbon (BC

  4. X-ray-absorption spectroscopic investigation of alkali and alkaline earth catalysts in coal gasification. Final report, January 1987-September 1989

    SciTech Connect

    Huggins, F.E.; Shah, N.; Huffman, G.P.

    1990-04-01

    The structures of alkali and alkaline-earth metal catalyst species in lignite and polymer chars and during pyrolysis pretreatment and char gasification have been investigated using ambient and newly-developed, in situ XAFS spectroscopic techniques. The XAFS data, which were obtained at the Stanford Synchrotron Radiation Laboratory, were supplemented by char characterization and reactivity measurements made at the Pennsylvania State University. The findings of the investigation are as follows: (i) the catalytic species, as introduced to the char or lignite, is an atomically-dispersed, metal-ion-oxygen-anion complex, and remains a metal-oxygen complex throughout pyrolysis and gasification; (ii) the catalyst species transforms to a bulk oxide species during pyrolysis pretreatment; (iii) during gasification, the catalyst species rapidly transforms to bulk alkali carbonate in the case of the alkali-metal species and slowly to calcium oxide in the case of the calcium species; (iv) higher catalyst loadings results in an increased number of catalytic sites, rather than any structural variation of the catalyst site due to concentration effects; and (v) reaction of alkali with aluminosilicates (from clays) or silica is the major catalyst poisoning reaction, unless the coal is demineralized in which case the alkali may react with residual halide from HCl or HF used to clean the coal. Such poisoning reactions were not demonstrated for calcium-oxygen species.

  5. Determination of acetamiprid partial-intercalative binding to DNA by use of spectroscopic, chemometrics, and molecular docking techniques.

    PubMed

    Zhang, Yue; Zhang, Guowen; Zhou, Xiaoyue; Li, Yu

    2013-11-01

    Acetamiprid (ACT) is an insecticide widely used for controlling a variety of insect pests. The binding mode associated with calf thymus DNA (ctDNA) upon interaction with ACT was determined using spectroscopic, chemometrics, and molecular docking techniques to clarify the interaction mechanism at the molecular level. Fluorescence titration suggested that the fluorescence quenching of ACT by ctDNA is a static procedure. The binding constants between ACT and ctDNA at different temperatures were calculated to be of the order 10(3)-10(4) L mol(-1). The positive values of enthalpy and entropy change suggested that the binding process is primarily driven by hydrophobic interactions. Multivariate curve resolution-alternating least squares (MCR-ALS), a chemometrics approach, was used to resolve the expanded UV-visible spectral data matrix. The concentration profiles and the spectra for the three reaction components (ACT, ctDNA, and ACT-ctDNA complex) of the system, which formed a highly overlapping composite response, were then successfully obtained and used to evaluate the progress of ACT interacting with ctDNA. The results of the single-stranded ctDNA and iodide quenching experiments, ctDNA-melting investigations, and viscosity measurements indicated that ACT binds to ctDNA by means of a partial intercalation. Molecular docking studies showed that the specific binding site is mainly located between the ACT and G-C base pairs of ctDNA. This docking prediction was confirmed by use of Fourier-transform infrared (FT-IR) spectral analysis. Results from circular dichroism (CD) spectroscopy revealed that ACT induced a conformational change from the B-ctDNA form to the A-ctDNA form. PMID:23975088

  6. Techniques for estimating the percutaneous absorption of chemicals due to occupational and environmental exposure

    SciTech Connect

    Leung, Hon-Wing; Paustenbach, D.J.

    1994-03-01

    This article reviews the scientific principles involved in determining the percutaneous absorption of chemicals. To assist industrial hygienists in assessing the risks of dermal uptake of chemicals in workplaces, lists of absorption rates and example calculations including the use of wipe sampling to estimate skin exposure are presented. Recent advances in the use of mathematical models to examine the various factors influencing the percutaneous absorption of chemicals from matrices are discussed. Results from various models suggest that the skin uptake of nonvolatile, highly lipophilic chemicals in soil will range from about 30 percent to 50 percent, while the uptake of volatile chemicals will usually be less than 5 percent. The available published information suggests the following rules of thumb: (1) the bioavailability of chemicals in media vary widely; consequently, it is important to account for matrix effects; (2) proper wipe sampling should be conducted to estimate the degree of skin contact with contaminated surfaces; (3) the hazards posed by dermal contact with certain chemicals in the workplace, particularly those with a high n-octanol:water partition coefficient, can produce an appreciable degree of the daily absorbed dose, and the dose from percutaneous absorption can often be as much as one-half that due to inhalation; and (4) the contribution to overall uptake from percutaneous absorption of chemical vapors can be significant if the atmospheric concentration of the chemicals is tenfold to one thousandfold higher than the threshold limit value, even when the worker wears protective clothing and adequate respiratory protection. 92 refs., 5 tabs.

  7. Measurements of the aerosol chemical composition and mixing state in the Po Valley using multiple spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Decesari, S.; Allan, J.; Plass-Duelmer, C.; Williams, B. J.; Paglione, M.; Facchini, M. C.; O'Dowd, C.; Harrison, R. M.; Gietl, J. K.; Coe, H.; Giulianelli, L.; Gobbi, G. P.; Lanconelli, C.; Carbone, C.; Worsnop, D.; Lambe, A. T.; Ahern, A. T.; Moretti, F.; Tagliavini, E.; Elste, T.; Gilge, S.; Zhang, Y.; Dall'Osto, M.

    2014-11-01

    The use of co-located multiple spectroscopic techniques can provide detailed information on the atmospheric processes regulating aerosol chemical composition and mixing state. So far, field campaigns heavily equipped with aerosol mass spectrometers have been carried out mainly in large conurbations and in areas directly affected by their outflow, whereas lesser efforts have been dedicated to continental areas characterised by a less dense urbanisation. We present here the results obtained at a background site in the Po Valley, Italy, in summer 2009. For the first time in Europe, six state-of-the-art spectrometric techniques were used in parallel: aerosol time-of-flight mass spectrometer (ATOFMS), two aerosol mass spectrometers (high-resolution time-of-flight aerosol mass spectrometer - HR-ToF-AMS and soot particle aerosol mass spectrometer - SP-AMS), thermal desorption aerosol gas chromatography (TAG), chemical ionisation mass spectrometry (CIMS) and (offline) proton nuclear magnetic resonance (1H-NMR) spectroscopy. The results indicate that, under high-pressure conditions, atmospheric stratification at night and early morning hours led to the accumulation of aerosols produced by anthropogenic sources distributed over the Po Valley plain. Such aerosols include primary components such as black carbon (BC), secondary semivolatile compounds such as ammonium nitrate and amines and a class of monocarboxylic acids which correspond to the AMS cooking organic aerosol (COA) already identified in urban areas. In daytime, the entrainment of aged air masses in the mixing layer is responsible for the accumulation of low-volatility oxygenated organic aerosol (LV-OOA) and also for the recycling of non-volatile primary species such as black carbon. According to organic aerosol source apportionment, anthropogenic aerosols accumulating in the lower layers overnight accounted for 38% of organic aerosol mass on average, another 21% was accounted for by aerosols recirculated in

  8. Atmospheric Pre-Corrected Differential Absorption Techniques to Retrieve Columnar Water Vapor: Application to AVIRIS 91/95 Data

    NASA Technical Reports Server (NTRS)

    Schlaepfer, Daniel; Borel, Christoph C.; Keller, Johannes; Itten, Klaus I.

    1996-01-01

    Water vapor is one of the main forces for weather development as well as for mesoscale air transport processes. The monitoring of water vapor is therefore an important aim in remote sensing of the atmosphere. Current operational systems for water vapor detection use primarily the emission in the thermal infrared (AVHRR, GOES, ATSR, Meteosat) or in the microwave radiation bands (DMSP). The disadvantage of current satellite systems is either a coarse spatial (horizontal) resolution ranging from one to tens of kilometers or a limited insight into the lower atmosphere. Imaging spectrometry on the other hand measures total column water vapor contents at a high spatial horizontal resolution and has therefore the potential of filling these gaps. The sensors of the AVIRIS instrument are capable of acquiring hyperspectral data in 224 bands located in the visible and near infrared at 10 nm resolution. This data includes the information on constituents of the earth's surface as well as of the atmosphere. The optical measurement of water vapor can be performed using sensor channels located in bands or lines of the absorption spectrum. The AVIRIS sensor has been used to retrieve water vapor and with less accuracy carbon dioxide, oxygen and ozone. To retrieve the water vapor amount, the so called differential absorption technique has been applied. The goal of this technique is to eliminate background factors by taking a ratio between channels within the absorption band and others besides the band. Various ratioing methods on the basis of different channels and calculation techniques were developed. The influence of a trace gas of interest on the radiance at the sensor level is usually simulated by using radiative transfer codes. In this study, the spectral transmittance and radiance are calculated by MODTRAN3 simulations with the new DISORT option. The objective of this work is to test the best performing differential absorption techniques for imaging spectrometry of

  9. Atmospheric pre-corrected differential absorption techniques to retrieve columnar water vapor: Application to AVIRIS 91/95 data

    SciTech Connect

    Schlaepfer, D.; Borel, C.C.; Keller, J.

    1996-03-01

    Water vapor is one of the main forces for weather development as well as for mesoscale air transport processes. The monitoring of water vapor is therefore an important aim in remote sensing of the atmosphere. Current operational systems for water vapor detection use primarily the emission in the thermal infrared (AVHRR, GOES, ATSR, Meteosat) or in the microwave radiation bands (DMSP). The disadvantage of current satellite systems is either a coarse spatial (horizontal) resolution ranging from one to tens of kilometers or a limited insight into the lower atmosphere. Imaging spectrometry on the other hand measures total column water vapor contents at a high spatial horizontal resolution and has therefore the potential of filling these gaps. The sensors of the AVIRIS instrument are capable of acquiring hyperspectral data in 224 bands located in the visible and near infrared at 10 run resolution. This data includes information on constituents of the earth`s surface as well as of the atmosphere. The optical measurement of water vapor can be performed using sensor channels located in bands or lines of the absorption spectrum. The AVIRIS sensor has been used to retrieve water vapor and with less accuracy carbon dioxide, oxygen and ozone. To retrieve the water vapor amount, the so called differential absorption technique has been applied. The goal of this technique is to eliminate background factors by taking a ratio between channels within the absorption band and others besides the band. Various rationing methods on the basis of different channels and calculation techniques were developed. The influence of a trace gas of interest on the radiance at the sensor level is usually simulated by using radiative transfer codes. In this study, spectral transmittance and radiance are calculated by MODTRAN3 simulations with the new DISORT option. This work testS the best performing differential absorption techniques for imaging spectrometry of tropospheric water vapor.

  10. Sensitive photothermal deflection technique for measuring absorption in optically thin media

    SciTech Connect

    Boccara, A. C.; Jackson, Warren; Amer, Nabil M.; Fournier, D.

    1980-01-01

    We present a highly sensitive and simple photothermal scheme for determining optical absorptions in condensed matter samples. {alpha}l values as low as 10{sup -7} and 10{sup -8} were measured for thin films and coatings and for liquids, respectively. A comparison with thermal lens effect is given, and the experimental factors limiting our sensitivity are discussed.

  11. Spectroscopic analysis of solar and cosmic X-ray spectra. 1: The nature of cosmic X-ray spectra and proposed analytical techniques

    NASA Technical Reports Server (NTRS)

    Walker, A. B. C., Jr.

    1975-01-01

    Techniques for the study of the solar corona are reviewed as an introduction to a discussion of modifications required for the study of cosmic sources. Spectroscopic analysis of individual sources and the interstellar medium is considered. The latter was studied via analysis of its effect on the spectra of selected individual sources. The effects of various characteristics of the ISM, including the presence of grains, molecules, and ionization, are first discussed, and the development of ISM models is described. The expected spectral structure of individual cosmic sources is then reviewed with emphasis on supernovae remnants and binary X-ray sources. The observational and analytical requirements imposed by the characteristics of these sources are identified, and prospects for the analysis of abundances and the study of physical parameters within them are assessed. Prospects for the spectroscopic study of other classes of X-ray sources are also discussed.

  12. Determination of third-order optical absorptive nonlinearity of ZnO nanoparticles by Z-scan technique

    NASA Astrophysics Data System (ADS)

    Sreeja, R.; Reshmi, R.; Manu, George; Jayaraj, M. K.

    2008-09-01

    A sensitive single-beam technique for measuring the nonlinear absorption coefficient of ZnO nanoparticles is reported here. The transmittance T(z) of the sample is measured by open aperture Z-scan technique as the sample is moved along the propagation path(z) of a focused Gaussian laser beam. The ZnO nanoparticles synthesized by wet chemical method, by mixing zinc acetate dehydrate and NaOH in ethanol is a clear transparent colloidal solution. The average size of ZnO nanoparticles is 6nm as confirmed by TEM analysis. Two-photon absorption of colloidal solutions of ZnO nanoparticles in ethanol is investigated by the Z-scan method using the nanosecond pulses from the second harmonics of Nd:YAG laser (532nm). The value of β for ZnO dispersed in ethanol extracted from the Z-scan data are 2.1cm/GW. ZnO nanoparticles of various sizes were embedded in PVA matrix on glass substrate and size dependence on β value was analyzed. The high value of two photon absorption coefficient (β) demonstrate that ZnO nanoparticle is a potential material for optical limiting applications.

  13. Improvement of differential optical absorption spectroscopy with a multichannel scanning technique.

    PubMed

    Brauers, T; Hausmann, M; Brandenburger, U; Dorn, H P

    1995-07-20

    Differential optical absorption spectroscopy (DOAS) of atmospheric trace gases requires the detection of optical densities below 0.1%. Photodiode arrays are used more and more as detectors for DOAS because they allow one to record larger spectral intervals simultaneously. This type of optical multichannel analyzer (OMA), however, shows sensitivity differences among the individual photodiodes (pixels), which are of the order of 1%. To correct for this a sensitivity reference spectrum is usually recorded separately from the trace-gas measurements. Because of atmospheric turbulence the illumination of the detector while an atmospheric absorption spectrum is being recorded is different from the conditions during the reference measurement. As a result the sensitivity patterns do not exactly match, and the corrected spectra still show a residual structure that is due to the sensitivity difference. This effect usually limits the detection of optical densities to approximately 3 × 10(-4). A new method for the removal of the sensitivity pattern is presented in this paper: Scanning the spectrometer by small wavelength increments after each readout of the OMA allows one to separate the OMA-fixed pattern and the wavelength-fixed structures (absorption lines). The properties of the new method and its applicability are demonstrated with simulated spectra. Finally, first atmospheric measurements with a laser long-path instrument demonstrate a detection limit of 3 × 10(-5) of a DOAS experiment. PMID:21052280

  14. Observation of the origin of d0 magnetism in ZnO nanostructures using X-ray-based microscopic and spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Singh, Shashi B.; Wang, Yu-Fu; Shao, Yu-Cheng; Lai, Hsuan-Yu; Hsieh, Shang-Hsien; Limaye, Mukta V.; Chuang, Chen-Hao; Hsueh, Hung-Chung; Wang, Hsaiotsu; Chiou, Jau-Wern; Tsai, Hung-Ming; Pao, Chih-Wen; Chen, Chia-Hao; Lin, Hong-Ji; Lee, Jyh-Fu; Wu, Chun-Te; Wu, Jih-Jen; Pong, Way-Faung; Ohigashi, Takuji; Kosugi, Nobuhiro; Wang, Jian; Zhou, Jigang; Regier, Tom; Sham, Tsun-Kong

    2014-07-01

    Efforts have been made to elucidate the origin of d0 magnetism in ZnO nanocactuses (NCs) and nanowires (NWs) using X-ray-based microscopic and spectroscopic techniques. The photoluminescence and O K-edge and Zn L3,2-edge X-ray-excited optical luminescence spectra showed that ZnO NCs contain more defects than NWs do and that in ZnO NCs, more defects are present at the O sites than at the Zn sites. Specifically, the results of O K-edge scanning transmission X-ray microscopy (STXM) and the corresponding X-ray-absorption near-edge structure (XANES) spectroscopy demonstrated that the impurity (non-stoichiometric) region in ZnO NCs contains a greater defect population than the thick region. The intensity of O K-edge STXM-XANES in the impurity region is more predominant in ZnO NCs than in NWs. The increase in the unoccupied (occupied) density of states at/above (at/below) the conduction-band minimum (valence-band maximum) or the Fermi level is related to the population of defects at the O sites, as revealed by comparing the ZnO NCs to the NWs. The results of O K-edge and Zn L3,2-edge X-ray magnetic circular dichroism demonstrated that the origin of magnetization is attributable to the O 2p orbitals rather than the Zn d orbitals. Further, the local density approximation (LDA) + U verified that vacancies in the form of dangling or unpaired 2p states (due to Zn vacancies) induced a significant local spin moment in the nearest-neighboring O atoms to the defect center, which was determined from the uneven local spin density by analyzing the partial density of states of O 2p in ZnO.Efforts have been made to elucidate the origin of d0 magnetism in ZnO nanocactuses (NCs) and nanowires (NWs) using X-ray-based microscopic and spectroscopic techniques. The photoluminescence and O K-edge and Zn L3,2-edge X-ray-excited optical luminescence spectra showed that ZnO NCs contain more defects than NWs do and that in ZnO NCs, more defects are present at the O sites than at the Zn sites

  15. X-ray absorption spectroscopy of Mn doped ZnO thin films prepared by rf sputtering technique

    SciTech Connect

    Yadav, Ashok Kumar; Jha, S. N.; Bhattacharyya, D.; Haque, Sk Maidul; Shukla, Dinesh; Choudhary, Ram Janay

    2015-11-15

    A set of r.f. sputter deposited ZnO thin films prepared with different Mn doping concentrations have been characterised by Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Spectroscopy (XANES) measurements at Zn, Mn and O K edges and at Mn L{sub 2,3} edges apart from long range structural characterisation by Grazing Incident X-ray Diffraction (GIXRD) technique. Magnetic measurements show room temperature ferromagnetism in samples with lower Mn doping which is however, gets destroyed at higher Mn doping concentration. The results of the magnetic measurements have been explained using the local structure information obtained from EXAFS and XANES measurements.

  16. Analysis for nonlinear inversion technique developed to estimate depth-distribution of absorption by spatially resolved backscattering measurement

    NASA Astrophysics Data System (ADS)

    Nishida, Kazuhiro; Namita, Takeshi; Kato, Yuji; Shimizu, Koichi

    2015-03-01

    We have proposed a new nonlinear inversion technique to estimate the spatial distribution of the absorption coefficient (μa) in the depth direction of a turbid medium by spatially resolved backscattering measurement. With this technique, we can obtain cross-sectional image of μa as deep as the backscattered light traveled even when the transmitted light through the medium cannot be detected. In this technique, the depth distribution of absorption coefficient is determined by iterative calculation using the spatial path-length distribution (SPD) of traveled photons as a function of source-detector distance. In this calculation, the variance of path-length of many photons in each layer is also required. The SPD and the variance of path-length are obtained by Monte Carlo simulation using a known reduced scattering coefficient (μs'). Therefore, we need to know the μs' of the turbid medium beforehand. We have shown in computer simulation that this technique works well when the μs' is the typical values of mammalian body tissue, or 1.0 /mm. In this study, the accuracy of the μa estimation was analyzed and its dependence on the μs' was clarified quantitatively in various situations expected in practice. 10% deviations in μs' resulted in about 30% error in μa estimation, in average. This suggested that the measurement or the appropriate estimation of μs' is required to utilize the proposed technique effectively. Through this analysis, the effectiveness and the limitation of the newly proposed technique were clarified, and the problems to be solved were identified.

  17. Investigation of potential of differential absorption Lidar techniques for remote sensing of atmospheric pollutants

    NASA Technical Reports Server (NTRS)

    Butler, C. F.; Shipley, S. T.; Allen, R. J.

    1981-01-01

    The NASA multipurpose differential absorption lidar (DIAL) system uses two high conversion efficiency dye lasers which are optically pumped by two frequency-doubled Nd:YAG lasers mounted rigidly on a supporting structure that also contains the transmitter, receiver, and data system. The DIAL system hardware design and data acquisition system are described. Timing diagrams, logic diagrams, and schematics, and the theory of operation of the control electronics are presented. Success in obtaining remote measurements of ozone profiles with an airborne systems is reported and results are analyzed.

  18. Light absorption by airborne aerosols: comparison of integrating plate and spectrophone techniques.

    PubMed

    Szkarlat, A C; Japar, S M

    1981-04-01

    An excellent correlation between the integrating plate (IP) and the photoacoustic methods for measuring aerosol light absorption has been found for airborne graphitic carbon in diesel vehicle exhaust. However, the regression coefficient depends on the orientation of the Teflon membrane filter during the IP analysis. With the collected particulates between the filter and the integrating plate, the IP response is 1.85 times that for the filter reversed. In either case the response ratio of the IP method to the photoacoustic method is >1.0, i.e., 2.43 vs 1.30. The IP calibration is also probably dependent on the nature of the filter medium. PMID:20309278

  19. Measurement of Hydrogen Absorption in Ternary Alloys with Volumetric (Sieverts Loop) Techniques

    SciTech Connect

    Aceves, S.

    2015-10-26

    The Sieverts loop is an inexpensive, robust and reliable methodology for calculating hydrogen absorption in materials [1]. In this approach, we start by storing a sample of the material being tested in the volume Vcell (Figure 1) and initiate the process by producing a high vacuum in the system while the material sample is heated to eliminate (most of) the hydrogen and other impurities previously absorbed. The system typically operates isothermally, with the volume Vref at ambient temperature and the sample at a temperature of interest – high enough to liquefy the alloy for the current application to nuclear fusion.

  20. Using non-invasive molecular spectroscopic techniques to detect unique aspects of protein Amide functional groups and chemical properties of modeled forage from different sourced-origins

    NASA Astrophysics Data System (ADS)

    Ji, Cuiying; Zhang, Xuewei; Yu, Peiqiang

    2016-03-01

    The non-invasive molecular spectroscopic technique-FT/IR is capable to detect the molecular structure spectral features that are associated with biological, nutritional and biodegradation functions. However, to date, few researches have been conducted to use these non-invasive molecular spectroscopic techniques to study forage internal protein structures associated with biodegradation and biological functions. The objectives of this study were to detect unique aspects and association of protein Amide functional groups in terms of protein Amide I and II spectral profiles and chemical properties in the alfalfa forage (Medicago sativa L.) from different sourced-origins. In this study, alfalfa hay with two different origins was used as modeled forage for molecular structure and chemical property study. In each forage origin, five to seven sources were analyzed. The molecular spectral profiles were determined using FT/IR non-invasive molecular spectroscopy. The parameters of protein spectral profiles included functional groups of Amide I, Amide II and Amide I to II ratio. The results show that the modeled forage Amide I and Amide II were centered at 1653 cm- 1 and 1545 cm- 1, respectively. The Amide I spectral height and area intensities were from 0.02 to 0.03 and 2.67 to 3.36 AI, respectively. The Amide II spectral height and area intensities were from 0.01 to 0.02 and 0.71 to 0.93 AI, respectively. The Amide I to II spectral peak height and area ratios were from 1.86 to 1.88 and 3.68 to 3.79, respectively. Our results show that the non-invasive molecular spectroscopic techniques are capable to detect forage internal protein structure features which are associated with forage chemical properties.

  1. Quantum cascade laser absorption spectroscopy with the amplitude-to-time conversion technique for atmospheric-pressure plasmas

    SciTech Connect

    Yumii, Takayoshi; Kimura, Noriaki; Hamaguchi, Satoshi

    2013-06-07

    The NO{sub 2} concentration, i.e., density, in a small plasma of a nitrogen oxide (NOx) treatment reactor has been measured by highly sensitive laser absorption spectroscopy. The absorption spectroscopy uses a single path of a quantum cascade laser beam passing through a plasma whose dimension is about 1 cm. The high sensitivity of spectroscopy is achieved by the amplitude-to-time conversion technique. Although the plasma reactor is designed to convert NO in the input gas to NO{sub 2}, it has been demonstrated by this highly sensitive absorption spectroscopy that NO{sub 2} in a simulated exhaust gas that enters the reactor is decomposed by the plasma first and then NO{sub 2} is formed again, possibly more than it was decomposed, through a series of gas-phase reactions by the time the gas exits the reactor. The observation is consistent with that of an earlier study on NO decomposition by the same type of a plasma reactor [T. Yumii et al., J. Phys. D 46, 135202 (2013)], in which a high concentration of NO{sub 2} was observed at the exit of the reactor.

  2. Error analysis applied to several inversion techniques used for the retrieval of middle atmospheric constituents from limb-scanning MM-wave spectroscopic measurements

    NASA Technical Reports Server (NTRS)

    Puliafito, E.; Bevilacqua, R.; Olivero, J.; Degenhardt, W.

    1992-01-01

    The formal retrieval error analysis of Rodgers (1990) allows the quantitative determination of such retrieval properties as measurement error sensitivity, resolution, and inversion bias. This technique was applied to five numerical inversion techniques and two nonlinear iterative techniques used for the retrieval of middle atmospheric constituent concentrations from limb-scanning millimeter-wave spectroscopic measurements. It is found that the iterative methods have better vertical resolution, but are slightly more sensitive to measurement error than constrained matrix methods. The iterative methods converge to the exact solution, whereas two of the matrix methods under consideration have an explicit constraint, the sensitivity of the solution to the a priori profile. Tradeoffs of these retrieval characteristics are presented.

  3. Analysis of zinc in biological samples by flame atomic absorption spectrometry: use of addition calibration technique.

    PubMed

    Dutra, Rosilene L; Cantos, Geny A; Carasek, Eduardo

    2006-01-01

    The quantification of target analytes in complex matrices requires special calibration approaches to compensate for additional capacity or activity in the matrix samples. The standard addition is one of the most important calibration procedures for quantification of analytes in such matrices. However, this technique requires a great number of reagents and material, and it consumes a considerable amount of time throughout the analysis. In this work, a new calibration procedure to analyze biological samples is proposed. The proposed calibration, called the addition calibration technique, was used for the determination of zinc (Zn) in blood serum and erythrocyte samples. The results obtained were compared with those obtained using conventional calibration techniques (standard addition and standard calibration). The proposed addition calibration was validated by recovery tests using blood samples spiked with Zn. The range of recovery for blood serum and erythrocyte samples were 90-132% and 76-112%, respectively. Statistical studies among results obtained by the addition technique and conventional techniques, using a paired two-tailed Student's t-test and linear regression, demonstrated good agreement among them. PMID:16943611

  4. Pseudorandom Noise Code-Based Technique for Thin Cloud Discrimination with CO2 and O2 Absorption Measurements

    NASA Technical Reports Server (NTRS)

    Campbell, Joel F.; Prasad, Narasimha S.; Flood, Michael A.

    2011-01-01

    NASA Langley Research Center is working on a continuous wave (CW) laser based remote sensing scheme for the detection of CO2 and O2 from space based platforms suitable for ACTIVE SENSING OF CO2 EMISSIONS OVER NIGHTS, DAYS, AND SEASONS (ASCENDS) mission. ASCENDS is a future space-based mission to determine the global distribution of sources and sinks of atmospheric carbon dioxide (CO2). A unique, multi-frequency, intensity modulated CW (IMCW) laser absorption spectrometer (LAS) operating at 1.57 micron for CO2 sensing has been developed. Effective aerosol and cloud discrimination techniques are being investigated in order to determine concentration values with accuracies less than 0.3%. In this paper, we discuss the demonstration of a pseudo noise (PN) code based technique for cloud and aerosol discrimination applications. The possibility of using maximum length (ML)-sequences for range and absorption measurements is investigated. A simple model for accomplishing this objective is formulated, Proof-of-concept experiments carried out using SONAR based LIDAR simulator that was built using simple audio hardware provided promising results for extension into optical wavelengths.

  5. Fabrication of controllable form submicrometer structures on positive photoresist by one-photon absorption direct laser writing technique

    NASA Astrophysics Data System (ADS)

    Tong, Quang Cong; Do, Minh Thanh; Journet, Bernard; Ledoux-Rak, Isabelle; Lai, Ngoc Diep

    2016-04-01

    We demonstrate a very simple and low-cost method based on one-photon absorption direct laser writing technique to fabricate arbitrary two-dimensional (2D) polymeric submicrometer structures with controllable form. In this technique, a continuous-wave green laser beam (532 nm) with very weak power is tightly focused into a positive photoresist (S1805) by a high numerical aperture (NA) objective lens (OL), depolymerizing the polymer in a local submicrometer region. The focusing spot is then moved in a controllable trajectory by a 3D piezo translation stage, resulting in desired structures. The low absorption effect of the photoresist at the excitation wavelength allows obtaining structures with submicrometer size and great depth. In particular, by controlling the exposure dose, e.g. the scanning speed, and the scanning configuration, the structures have been created in positive (cylindrical material in air) or negative (air holes) form. The 2D square structures with periods in between 0.6 μm and 1 μm and with a feature size of about 150 nm have been demonstrated with an OL of NA = 0.9 (air-immersion). The fabricated results are well consistent with those obtained numerically by using a vectorial diffraction theory for high NA OLs. This investigation should be very useful for fabrication of photonic and plasmonic templates.

  6. One-step fabrication of submicrostructures by low one-photon absorption direct laser writing technique with local thermal effect

    NASA Astrophysics Data System (ADS)

    Nguyen, Dam Thuy Trang; Tong, Quang Cong; Ledoux-Rak, Isabelle; Lai, Ngoc Diep

    2016-01-01

    In this work, local thermal effect induced by a continuous-wave laser has been investigated and exploited to optimize the low one-photon absorption (LOPA) direct laser writing (DLW) technique for fabrication of polymer-based microstructures. It was demonstrated that the temperature of excited SU8 photoresist at the focusing area increases to above 100 °C due to high excitation intensity and becomes stable at that temperature thanks to the use of a continuous-wave laser at 532 nm-wavelength. This optically induced thermal effect immediately completes the crosslinking process at the photopolymerized region, allowing obtain desired structures without using the conventional post-exposure bake (PEB) step, which is usually realized after the exposure. Theoretical calculation of the temperature distribution induced by local optical excitation using finite element method confirmed the experimental results. LOPA-based DLW technique combined with optically induced thermal effect (local PEB) shows great advantages over the traditional PEB, such as simple, short fabrication time, high resolution. In particular, it allowed the overcoming of the accumulation effect inherently existed in optical lithography by one-photon absorption process, resulting in small and uniform structures with very short lattice constant.

  7. Screening Technique for Lead and Cadmium in Toys and Other Materials Using Atomic Absorption Spectroscopy

    ERIC Educational Resources Information Center

    Brouwer, Henry

    2005-01-01

    A simple procedure to quickly screen different consumer products for the presence of lead, cadmium, and other metals is described. This screening technique avoids expending a lot of preparation time on samples known to contain low levels of hazardous metals where only samples testing positive for the desired elements need to be analyzed…

  8. Mid-infrared carbon monoxide detection system using differential absorption spectroscopy technique

    NASA Astrophysics Data System (ADS)

    Dong, Ming; Sui, Yue; Li, Guo-lin; Zheng, Chuan-tao; Chen, Mei-mei; Wang, Yi-ding

    2015-11-01

    A differential carbon monoxide (CO) concentration sensing device using a self-fabricated spherical mirror (e.g. light-collector) and a multi-pass gas-chamber is presented in this paper. Single-source dual-channel detection method is adopted to suppress the interferences from light source, optical path and environmental changes. Detection principle of the device is described, and both the optical part and the electrical part are developed. Experiments are carried out to evaluate the sensing performance on CO concentration. The results indicate that at 1.013×105 Pa and 298 K, the limit of detection (LoD) is about 11.5 mg/m3 with an absorption length of 40 cm. As the gas concentration gets larger than 115 mg/m3 (1.013×105 Pa, 298 K), the relative detection error falls into the range of -1.7%—+1.9%. Based on 12 h long-term measurement on the 115 mg/m3 and 1 150 mg/m3 CO samples, the maximum detection errors are about 0.9% and 5.5%, respectively. Due to the low cost and competitive characteristics, the proposed device shows potential applications in CO detection in the circumstances of coal-mine production and environmental protection.

  9. Multilayer Thin Film Polarizer Design for Far Ultraviolet using Induced Transmission and Absorption Technique

    NASA Technical Reports Server (NTRS)

    Kim, Jongmin; Zukic, Muamer; Wilson, Michele M.; Park, Jung Ho; Torr, Douglas G.

    1994-01-01

    Good theoretical designs of far ultraviolet polarizers have been reported using a MgF2/Al/MgF2 three layer structure on a thick Al layer as a substrate. The thicknesses were determined to induce transmission and absorption of p-polarized light. In these designs Al optical constants were used from films produced in ultrahigh vacuum (UHV: 10(exp -10) torr). Reflectance values for polarizers fabricated in a conventional high vacuum (p approx. 10(exp -6 torr)) using the UHV design parameters differed dramatically from the design predictions. Al is a highly reactive material and is oxidized even in a high vacuum chamber. In order to solve the problem other metals have been studied. It is found that a larger reflectance difference is closely related to higher amplitude and larger phase difference of Fresnel reflection coefficients between two polarizations at the boundary of MgF2/metal. It is also found that for one material a larger angle of incidence from the surface normal brings larger amplitude and phase difference. Be and Mo are found good materials to replace Al. Polarizers designed for 121.6 nm with Be at 60 deg and with Mo at 70 deg are shown as examples.

  10. Assessment of natural radioactivity and function of minerals in soils of Yelagiri hills, Tamilnadu, India by Gamma Ray spectroscopic and Fourier Transform Infrared (FTIR) techniques with statistical approach.

    PubMed

    Chandrasekaran, A; Ravisankar, R; Rajalakshmi, A; Eswaran, P; Vijayagopal, P; Venkatraman, B

    2015-02-01

    Gamma Ray and Fourier Transform Infrared (FTIR) spectroscopic techniques were used to evaluate the natural radioactivity due to natural radionuclides and mineralogical characterization in soils of Yelagiri hills, Tamilnadu, India. Various radiological parameters were calculated to assess the radiation hazards associated with the soil. The distribution pattern of activity due to natural radionuclides is explained by Kriging method of mapping. Using FTIR spectroscopic technique the minerals such as quartz, microcline feldspar, orthoclase feldspar, kaolinite, montmorillonite, illite, and organic carbon were identified and characterized. The extinction coefficient values were 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 was calculated to know the crystalline nature of quartz. The result indicates that the presence of disordered crystalline quartz in soils. The relation between minerals and radioactivity was assessed by multivariate statistical analysis (Pearson's correlation and cluster analysis). The statistical analysis confirms that the clay mineral kaolinite and non-clay mineral quartz is the major factor than other major minerals to induce the important radioactivity variables and concentrations of uranium and thorium.

  11. Assessment of natural radioactivity and function of minerals in soils of Yelagiri hills, Tamilnadu, India by Gamma Ray spectroscopic and Fourier Transform Infrared (FTIR) techniques with statistical approach

    NASA Astrophysics Data System (ADS)

    Chandrasekaran, A.; Ravisankar, R.; Rajalakshmi, A.; Eswaran, P.; Vijayagopal, P.; Venkatraman, B.

    2015-02-01

    Gamma Ray and Fourier Transform Infrared (FTIR) spectroscopic techniques were used to evaluate the natural radioactivity due to natural radionuclides and mineralogical characterization in soils of Yelagiri hills, Tamilnadu, India. Various radiological parameters were calculated to assess the radiation hazards associated with the soil. The distribution pattern of activity due to natural radionuclides is explained by Kriging method of mapping. Using FTIR spectroscopic technique the minerals such as quartz, microcline feldspar, orthoclase feldspar, kaolinite, montmorillonite, illite, and organic carbon were identified and characterized. The extinction coefficient values were 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 was calculated to know the crystalline nature of quartz. The result indicates that the presence of disordered crystalline quartz in soils. The relation between minerals and radioactivity was assessed by multivariate statistical analysis (Pearson's correlation and cluster analysis). The statistical analysis confirms that the clay mineral kaolinite and non-clay mineral quartz is the major factor than other major minerals to induce the important radioactivity variables and concentrations of uranium and thorium.

  12. Study of the effect of Cal-Red on the secondary structure of human serum albumin by spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Dong, Lijun; Chen, Xingguo; Hu, Zhide

    2007-11-01

    The effect of Cal-Red on the structure of human serum albumin (HSA) was studied using Resonance light scattering (RLS), Fourier transformed Infrared (FT-IR) and Circular dichroism (CD) spectroscopic methods. The RLS spectroscopic results show that the RLS intensity of HSA was significantly increased in the presence of Cal-Red. The binding parameters of HSA with Cal-Red were studied at different temperatures of 289, 299, 309 and 319 K at pH 4.1. It is indicated by the Scatchard plots that the binding constant K decreased from 4.03 × 10 8 to 7.59 × 10 7 l/mol and the maximum binding number N decreased from 215 to 152 with increasing the temperature, respectively. The binding process was exothermic and spontaneous, as indicated by the thermodynamic analyses, and the major part of the binding energy is hydrophobic interaction. The enthalpy change Δ H0, the free energy change Δ G0 and the entropy change Δ S0 of 289 K were calculated to be -42.75 kJ/mol, -47.56 kJ/mol and 16.66 J/mol K, respectively. The alterations of protein secondary structure in the presence of Cal-Red in aqueous solution were quantitatively calculated from FT-IR and CD spectroscopy with reductions of α-helices content about 5%, β-turn from 10% to 2% and with increases of β-sheet from 38% to 51%.

  13. Folic acid absorption determined by a single stool sample test--a double-isotope technique. The folic acid absorption capacity in children

    SciTech Connect

    Hjelt, K. )

    1989-10-01

    The fractional folic acid absorption (FAFol) was determined in 66 patients with various gastrointestinal diseases by a double-isotope technique, employing a single stool sample test (SSST) as well as a complete stool collection. The age of the patients ranged from 2.5 months to 16.8 years (mean 6.3 years). The test dose was administered orally and consisted of 50 micrograms of (3H)folic acid (monoglutamate) (approximately 20 muCi), carmine powder, and 2 mg 51CrCl3 (approximately 1.25 muCi) as the unabsorbable tracer. The whole-body radiation given to a 1-year-old child averaged 4.8 mrad only. The stool and napkin contents were collected and homogenized by the addition of 300 ml chromium sulfuric acid. A 300-ml sample of the homogenized stool and napkin contents, as well as 300 ml chromium sulfuric acid (75% vol/vol) containing the standards, were counted for the content of 51Cr in a broad-based well counter. The quantity of (3H)folic acid was determined by liquid scintillation, after duplicate distillation. Estimated by SSST, the FAFol, which employs the stool with the highest content of 51Cr corresponding to the most carmine-colored stool, correlated closely with the FAFol based on complete stool collection (r = 0.96, n = 39, p less than 0.0001). The reproducibility of FAFol determined by SSST was assessed from repeated tests in 18 patients. For a mean of 81%, the SD was 4.6%, which corresponded to a coefficient of variation of 5.7%.

  14. Laser spectroscopic measurement of helium isotope ratios.

    SciTech Connect

    Wang, L.-B.; Mueller, P.; Holt, R. J.; Lu, Z.-T.; O'Connor, T. P.; Sano, Y.; Sturchio, N.; Univ. of Illinois; Univ. of Tokyo; Univ. of Illinois at Chicago

    2003-06-13

    A sensitive laser spectroscopic method has been applied to the quantitative determination of the isotope ratio of helium at the level of {sup 3}He/{sup 4}He = 10{sup -7}--10{sup -5}. The resonant absorption of 1083 nm laser light by the metastable {sup 3}He atoms in a discharge cell was measured with the frequency modulation saturation spectroscopy technique while the abundance of {sup 4}He was measured by a direct absorption technique. The results on three different samples extracted from the atmosphere and commercial helium gas were in good agreement with values obtained with mass spectrometry. The achieved 3{sigma} detection limit of {sup 3}He in helium is 4 x 10{sup -9}. This demonstration required a 200 {mu}L STP sample of He. The sensitivity can be further improved, and the required sample size reduced, by several orders of magnitude with the addition of cavity enhanced spectroscopy.

  15. Semi-Empirical Validation of the Cross-Band Relative Absorption Technique for the Measurement of Molecular Mixing Ratios

    NASA Technical Reports Server (NTRS)

    Pliutau, Denis; Prasad, Narasimha S

    2013-01-01

    Studies were performed to carry out semi-empirical validation of a new measurement approach we propose for molecular mixing ratios determination. The approach is based on relative measurements in bands of O2 and other molecules and as such may be best described as cross band relative absorption (CoBRA). . The current validation studies rely upon well verified and established theoretical and experimental databases, satellite data assimilations and modeling codes such as HITRAN, line-by-line radiative transfer model (LBLRTM), and the modern-era retrospective analysis for research and applications (MERRA). The approach holds promise for atmospheric mixing ratio measurements of CO2 and a variety of other molecules currently under investigation for several future satellite lidar missions. One of the advantages of the method is a significant reduction of the temperature sensitivity uncertainties which is illustrated with application to the ASCENDS mission for the measurement of CO2 mixing ratios (XCO2). Additional advantages of the method include the possibility to closely match cross-band weighting function combinations which is harder to achieve using conventional differential absorption techniques and the potential for additional corrections for water vapor and other interferences without using the data from numerical weather prediction (NWP) models.

  16. Microbial growth on pall rings: a problem when upgrading biogas with the water-wash absorption technique.

    PubMed

    Tynell, Asa; Börjesson, Gunnar; Persson, Margareta

    2007-01-01

    Biogas is upgraded using an absorption with water-wash technique by 11 of a total of 14 upgrading plants in Sweden. However, problems with microbial growth on the pall rings in the absorption column, and in one case in the desorption column, have a negative impact on the upgrading of raw gas to vehicle gas. Five of the nine biogas plants studied here have experienced problems with microbial growth. The objectives of this study were to identify such microbial growth and to determine possible factors for its control, in order to provide recommendations for process management. A questionnaire was sent out and visits were made to the upgrading plants to collect information about the upgrading process. Phospholipid fatty acid (PLFA) analysis was performed to determine microbial biomass and community structure in samples from four upgrading plants. In samples from two of the plants, methane-oxidizing bacteria (type I methanotrophs) were indicated, while samples from one of the other plants showed biomarkers indicating actinomycetes. Factors affecting development of microbial growth were found to be water quality and the pH and temperature of the process water. Plants that used wastewater in the upgrading process experienced far more problems than those using clean water of drinking quality.

  17. Identification of vegetable oil botanical speciation in refined vegetable oil blends using an innovative combination of chromatographic and spectroscopic techniques.

    PubMed

    Osorio, Maria Teresa; Haughey, Simon A; Elliott, Christopher T; Koidis, Anastasios

    2015-12-15

    European Regulation 1169/2011 requires producers of foods that contain refined vegetable oils to label the oil types. A novel rapid and staged methodology has been developed for the first time to identify common oil species in oil blends. The qualitative method consists of a combination of a Fourier Transform Infrared (FTIR) spectroscopy to profile the oils and fatty acid chromatographic analysis to confirm the composition of the oils when required. Calibration models and specific classification criteria were developed and all data were fused into a simple decision-making system. The single lab validation of the method demonstrated the very good performance (96% correct classification, 100% specificity, 4% false positive rate). Only a small fraction of the samples needed to be confirmed with the majority of oils identified rapidly using only the spectroscopic procedure. The results demonstrate the huge potential of the methodology for a wide range of oil authenticity work.

  18. Identification of vegetable oil botanical speciation in refined vegetable oil blends using an innovative combination of chromatographic and spectroscopic techniques.

    PubMed

    Osorio, Maria Teresa; Haughey, Simon A; Elliott, Christopher T; Koidis, Anastasios

    2015-12-15

    European Regulation 1169/2011 requires producers of foods that contain refined vegetable oils to label the oil types. A novel rapid and staged methodology has been developed for the first time to identify common oil species in oil blends. The qualitative method consists of a combination of a Fourier Transform Infrared (FTIR) spectroscopy to profile the oils and fatty acid chromatographic analysis to confirm the composition of the oils when required. Calibration models and specific classification criteria were developed and all data were fused into a simple decision-making system. The single lab validation of the method demonstrated the very good performance (96% correct classification, 100% specificity, 4% false positive rate). Only a small fraction of the samples needed to be confirmed with the majority of oils identified rapidly using only the spectroscopic procedure. The results demonstrate the huge potential of the methodology for a wide range of oil authenticity work. PMID:26190602

  19. Absolute OH concentration profiles measurements in high pressure counterflow flames by coupling LIF, PLIF, and absorption techniques

    NASA Astrophysics Data System (ADS)

    Matynia, A.; Idir, M.; Molet, J.; Roche, C.; de Persis, S.; Pillier, L.

    2012-08-01

    A high-pressure combustion chamber enclosing counterflow burners was set-up at ICARE-CNRS laboratory. It allows the stabilization of flat twin premixed flames at atmospheric and high pressure. In this study, lean and stoichiometric methane/air counterflow premixed flames were studied at various pressures (0.1 MPa to 0.7 MPa). Relative OH concentration profiles were measured by Laser Induced Fluorescence. Great care was attached to the determination of the fluorescence signal by taking into account the line broadening and deexcitation by quenching which both arise at high pressure. Subsequently, OH profiles were calibrated in concentration by laser absorption technique associated with planar laser induced fluorescence. Results are successfully compared with literature. The good quality of the results attests of the experimental set-up ability to allow the study of flame structure at high pressure.

  20. The crystalline nanocluster phase as a medium for structural and spectroscopic studies of light absorption of photosensitizer dyes on semiconductor surfaces.

    PubMed

    Benedict, Jason B; Coppens, Philip

    2010-03-10

    The crystalline nanocluster phase, in which nanoscale metal oxide clusters are self-assembled in three-dimensional periodic arrays, is described. The crystalline assembly of nanoparticles functionalized with technologically relevant ligands offers the opportunity to obtain unambiguous structural information that can be combined with theoretical calculations based on the known geometry and used to interpret spectroscopic and other information. A series of Ti/O clusters up to approximately 2.0 nm in diameter have been synthesized and functionalized with the adsorbents catechol and isonicotinic acid. Whereas the isonicotinate is always adsorbed in a bridging monodentate mode, four different adsorption modes of catechol have been identified. The particles show a significantly larger variation of the Ti-O distances than observed in the known TiO(2) phases and exhibit both sevenfold overcoordination and five- and fourfold undercoordination of the Ti atoms. Theoretical calculations show only a moderate dependence of the catecholate net charge on the geometry of adsorption. All of the catechol-functionalized clusters have a deep-red color due to penetration of the highest occupied catechol levels into the band gap of the Ti/O particles. Spectroscopic measurements of the band gap of the Ti(17) cluster are in good agreement with the theoretical values and show a blue shift of approximately 0.22 eV relative to those reported for anatase nanoparticles.

  1. A technique for measurement of material damping in metals. [absorption of structural vibration

    NASA Technical Reports Server (NTRS)

    Heine, J. C.

    1976-01-01

    The paper outlines the theory, design, and application of an apparatus based on the single beam resonant dwell technique to determine the damping capacity of metallic materials by measuring the response of a structural element to excitation at a modal frequency. In this apparatus, a cantilever beam specimen of a test material is clamped to a bar which is connected at one end to an electromagnetic shaker and at the other to a heavy base. The thickness of the bar at the base end is reduced by two saw cuts to provide a pivot around which the remainder of the bar can rotate when excited by the shaker which is connected to the bar by a rod passing through a hole in the base. The response of the supporting system to shaker excitation is measured with an accelerometer mounted on the bar at the root of the specimen. Specimen response is measured optically with a low-power microscope with a reticle. Specimen loss factor is determined in terms of acceleration at the beam root, beam tip displacement, and the beam natural frequency.

  2. Description of the Role of Shot Noise in Spectroscopic Absorption and Emission Measurements with Photodiode and Photomultiplier Tube Detectors: Information for an Instrumental Analysis Course

    ERIC Educational Resources Information Center

    McClain, Robert L.; Wright, John C.

    2014-01-01

    A description of shot noise and the role it plays in absorption and emission measurements using photodiode and photomultiplier tube detection systems is presented. This description includes derivations of useful forms of the shot noise equation based on Poisson counting statistics. This approach can deepen student understanding of a fundamental…

  3. Analysis of diffential absorption lidar technique for measurements of anhydrous hydrogen chloride from solid rocket motors using a deuterium fluoride laser

    NASA Technical Reports Server (NTRS)

    Bair, C. H.; Allario, F.

    1977-01-01

    An active optical technique (differential absorption lidar (DIAL)) for detecting, ranging, and quantifying the concentration of anhydrous HCl contained in the ground cloud emitted by solid rocket motors (SRM) is evaluated. Results are presented of an experiment in which absorption coefficients of HCl were measured for several deuterium fluoride (DF) laser transitions demonstrating for the first time that a close overlap exists between the 2-1 P(3) vibrational transition of the DF laser and the 1-0 P(6) absorption line of HCl, with an absorption coefficient of 5.64 (atm-cm) to the -1 power. These measurements show that the DF laser can be an appropriate radiation source for detecting HCl in a DIAL technique. Development of a mathematical computer model to predict the sensitivity of DIAL for detecting anhydrous HCl in the ground cloud is outlined, and results that assume a commercially available DF laser as the radiation source are presented.

  4. Spectroscopic evidence for the formation of singlet molecular oxygen (/sup 1/. delta. /sub g/O/sub 2/) upon irradiation of a solvent-oxygen (/sup 3/Sigma/sub g//sup -/O/sub 2/) cooperative absorption band

    SciTech Connect

    Scurlock, R.D.; Ogilby, P.R.

    1988-01-20

    It is well-known that the presence of molecular oxygen (/sup 3/..sigma../sub g//sup -/O/sub 2/) in a variety of organic solvents causes an often substantial red shift in the solvent absorption spectrum. This extra, broad absorption feature is reversibly removed by purging the solvent with nitrogen gas. Mulliken and Tsubomura assigned the oxygen-dependent absorption band to a transition from a ground state solvent-oxygen complex to a solvent-oxygen charge transfer (CT) state (sol/sup .+/O/sub 2//sup .-/). In addition to the broad Mulliken CT band, there are, often in the same spectral region, distinct singlet-triplet transitions (T/sub 1/ reverse arrow S/sub 0/) which are enhanced by molecular oxygen (/sup 3/..sigma../sub g//sup -/O/sub 2/). Since both of these solvent-oxygen cooperative transitions may result in the formation of reactive oxygenating species, singlet molecular oxygen (/sup 1/..delta../sub g/O/sub 2/) and/or the superoxide ion (O/sub 2//sup .-/), it follows that recent studies have focused on unsaturated hydrocarbon oxygenation subsequent to the irradiation of the oxygen-induced absorption bands in both the solution phase and cryogenic (10 K) glasses. In these particular experiments, oxygenated products characteristic of both /sup 1/..delta../sub g/O/sub 2/ and O/sub 2//sub .-/ were obtained, although the systems studied appeared to involve the participation of one intermediate at the exclusion of the other. In this communication, the authors provide, for the first time, direct spectroscopic evidence for the formation of /sup 1/..delta../sub g/O/sub 2/ following a solvent-oxygen (/sup 3/..sigma../sub g//sup -/O/sub 2/) cooperative absorption. They have observed, in a time-resolved experiment, a near-IR luminescence subsequent to laser excitation of the oxygen-induced absorption bands of mesitylene, p-xylene, o-xylene, toluene, and benzene at 355 nm and 1,4-dioxane at 266 nm. They suggest that this signal is due to /sup 1/..delta../sub g/O/sub 2

  5. X-Ray Absorption And EPR Spectroscopic Studies of the Biotransformations of Chromium(Vi) in Mammalian Cells. Is Chromodulin An Artifact of Isolation Methods?

    SciTech Connect

    Levina, A.; Harris, H.H.; Lay, P.A.; /Sydney U.

    2007-07-10

    Very different biological activities are usually ascribed to Cr(VI) (a toxin and carcinogen) and Cr(III) (an antidiabetic agent), although recent evidence suggests that both these types of actions are likely to arise from cellular uptake of varying concentrations of Cr(VI). The first systematic study of XANES spectra of Cr(III) complexes formed in Cr(VI)-treated mammalian cells (A549, HepG2, V79, and C2C12 cell lines), and in subcellular fractions of A549 cells, has been performed using a library of XANES spectra of model Cr(III) complexes. The results of multiple linear regression analyses of XANES spectra, in combination with multiple-scattering fits of XAFS spectra, indicate that Cr(III) formed in Cr(VI)-treated cells is most likely to bind to carboxylato, amine, and imidazole residues of amino acids, and to a lesser extent to hydroxo or aqua ligands. A combination of XANES and EPR spectroscopic data for Cr(VI)-treated cells indicates that the main component of Cr(III) formed in such cells is bound to high-molecular-mass ligands (>30 kDa, probably proteins), but significant redistribution of Cr(III) occurs during the cell lysis, which leads to the formation of a low-molecular-mass (<30 kDa) Cr(III)-containing fraction. The spectroscopic (XANES, XAFS, and EPR) properties of this fraction were strikingly similar to those of the purported natural Cr(III)-containing factor, chromodulin, that was reported to be isolated from the reaction of Cr(VI) with liver. These data support the hypothesis that a chromodulin-like species, which is formed from such a reaction, is an artifact of the reported isolation procedure.

  6. Photochemistry of acetylenic ketones in micellar solutions as studied by product-yield-detected ESR and transient absorption techniques.

    PubMed

    Polyakov, N E; Okazaki, M; Fukaya, H; Fujiwara, Y; Tanimoto, Y

    1995-06-01

    The electron spin resonance (ESR) spectra of the transient radical pairs in the photoreduction of 1,5-diphenyl-1,4-pentadiyn-3-one(I) and 1,3-diphenyl-2-propyn-1-one(II) in sodium dodecyl sulfate (SDS) micellar solutions have been obtained by using the product-yield-detected ESR (PYESR) technique. The PYESR spectra, detected by tracing the microwave effect on the spin-adduct yield as functions of the magnetic field, show the ESR spectra of the ketyl radical of the ketone and SDS radical as the components of the radical pairs. In addition, the growth and the decay processes of the radical pair were observed through detecting the effect of microwave pulse as functions of the delay period between a laser pulse and the off and on time, respectively, of a microwave pulse. The absorption spectra of transient species have also been obtained by using the laser flash photolysis technique. Through the analysis of these data and molecular orbital calculations, the role of acetylenic groups in the photoreactivity of acetylenic ketones is discussed.

  7. Investigation into the interaction of losartan with human serum albumin and glycated human serum albumin by spectroscopic and molecular dynamics simulation techniques: A comparison study.

    PubMed

    Moeinpour, Farid; Mohseni-Shahri, Fatemeh S; Malaekeh-Nikouei, Bizhan; Nassirli, Hooriyeh

    2016-09-25

    The interaction between losartan and human serum albumin (HSA), as well as its glycated form (gHSA) was studied by multiple spectroscopic techniques and molecular dynamics simulation under physiological conditions. The binding information, including the binding constants, effective quenching constant and number of binding sites showed that the binding partiality of losartan to HSA was higher than to gHSA. The findings of three-dimensional fluorescence spectra demonstrated that the binding of losartan to HSA and gHSA would alter the protein conformation. The distances between Trp residue and the binding sites of the drug were evaluated on the basis of the Förster theory, and it was indicated that non-radiative energy transfer from HSA and gHSA to the losartan happened with a high possibility. According to molecular dynamics simulation, the protein secondary and tertiary structure changes were compared in HSA and gHSA for clarifying the obtained results.

  8. Characterization of the physico-chemical properties of polymeric materials for aerospace flight. [differential thermal and atomic absorption spectroscopic analysis of nickel cadmium batteries

    NASA Technical Reports Server (NTRS)

    Rock, M.

    1981-01-01

    Electrodes and electrolytes of nickel cadmium sealed batteries were analyzed. Different thermal analysis of negative and positive battery electrodes was conducted and the temperature ranges of occurrence of endotherms indicating decomposition of cadmium hydroxide and nickel hydroxide are identified. Atomic absorption spectroscopy was used to analyze electrodes and electrolytes for traces of nickel, cadmium, cobalt, and potassium. Calibration curves and data are given for each sample analyzed. Instrumentation and analytical procedures used for each method are described.

  9. Absorption and fluorescence emission spectroscopic characters of naphtho-homologated yy-DNA bases and effect of methanol solution and base pairing.

    PubMed

    Zhang, Laibin; Li, Huifang; Li, Jilai; Chen, Xiaohua; Bu, Yuxiang

    2010-03-01

    A comprehensive theoretical study of electronic transitions of naphtho-homologated base analogs, namely, yy-T, yy-C, yy-A, and yy-G, was performed. The nature of the low-lying excited states is discussed, and the results are compared with those from experiment and also with those of y-bases. Geometrical characteristics of the lowest excited singlet pipi* and npi* states were explored using the CIS method, and the effects of methanol solution and paring with their complementary natural bases on the relevant absorption and emission spectra of these modified bases were examined. The calculated excitation and emission energies agree well with the measured data, where experimental results are available. In methanol solution, the fluorescence from yy-A and yy-G would be expected to occur around 539 and 562 nm, respectively, suggesting that yy-A is a green-colored fluorophore, whereas yy-G is a yellow-colored fluorophore. The methanol solution was found to red-shift both the absorption and emission maxima of yy-A, yy-T, and yy-C, but blue-shift those for yy-G. Generally, though base pairing has no significant effects on the absorption and fluorescence maxima of yy-A, yy-C, and yy-T, it blue-shifts those for yy-G.

  10. A computer method for the automatic reduction of spectroscopic data.

    PubMed

    Ditzel, E F; Giddings, L E

    1967-12-01

    A computer program, written in Fortran IV and for use with an associated spectral comparator, has been developed at The Naval Research Laboratory for the purpose of automatically reducing spectroscopic data. A Datex digitalizing magnetic tape recorder in conjunction with a modified Jarrell-Ash microphotometer allows the reading of spectral information from a photographic plate at the rate of twentyfive data pairs per second. Spectra of local interest analyzed by this method are (1) absorption, (2) emission, (3) plasma type, obtained from time-resolved spectroscopic techniques, and (4) solar echellegrams obtained from rocket probings of the upper atmosphere. Markedly useful features of the program are its capabilities of (a) recognizing spectral peaks from a background of variable density, (b) obtaining absolute values for the radiance or irradiance. An essential characteristic of the method is the saving of significant amounts of time in the reduction of photographic spectroscopic data.

  11. Improved oral absorption and chemical stability of everolimus via preparation of solid dispersion using solvent wetting technique.

    PubMed

    Jang, Sun Woo; Kang, Myung Joo

    2014-10-01

    The aim of this study was to improve the physicochemical properties and oral absorption of poorly water-soluble everolimus via preparation of a solid dispersion (SD) system using a solvent wetting (SW) technique. The physicochemical properties, drug release profile, and bioavailability of SD prepared by SW process were also compared to SD prepared by the conventional co-precipitation method. Solid state characterizations using scanning electron microscopy, particle size analysis and X-ray powder diffraction indicated that drug homogeneously dispersed and existed in an amorphous state within the intact polymeric carrier. Whereas, a film-like mass was obtained by a co-precipitation method and further pulverization step was needed for tabletization. The drug release from the SD tablet prepared by SW process at a ratio of drug to hydroxypropyl methylcellulose of 1:15 was markedly higher than the drug alone and equivalent to the marketed product (Afinitor(®), Novartis Pharmaceuticals), a SD tablet prepared by co-precipitation method, archiving over 75% the drug release after 30 min. At the accelerated (40°C/75% R.H.) and stress (80°C) stability tests, the novel formula was more stable than drug powder and provided comparable drug stability with the commercially available product, which contains a potentially risky antioxidant, butylated hydroxyl toluene. The pharmacokinetic parameters after single oral administration in beagles showed no significant difference (P>0.01) between the novel SD-based tablet and the marketed product. The results of this study, therefore, suggest that the novel SD system prepared by the solvent wetting process may be a promising approach for improving the physicochemical stability and oral absorption of the sirolimus derivatives. PMID:25003829

  12. Multidisciplinary approach for the study of an Egyptian coffin (late 22nd/early 25th dynasty): combining imaging and spectroscopic techniques.

    PubMed

    Bracci, S; Caruso, O; Galeotti, M; Iannaccone, R; Magrini, D; Picchi, D; Pinna, D; Porcinai, S

    2015-06-15

    This paper demonstrates that an educated methodology based on both non-invasive and micro invasive techniques in a two-step approach is a powerful tool to characterize the materials and stratigraphies of an Egyptian coffin, which was restored several times. This coffin, belonging to a certain Mesiset, is now located at the Museo Civico Archeologico of Bologna (inventory number MCABo EG 1963). Scholars attributed it to the late 22nd/early 25th dynasty by stylistic comparison. The first step of the diagnostic approach applied imaging techniques on the whole surface in order to select measurements spots and to unveil both original and restored areas. Images and close microscopic examination of the polychrome surface allowed selecting representative areas to be investigated in situ by portable spectroscopic techniques: X-ray Fluorescence (XRF), Fiber Optic Reflectance Spectroscopy (FORS) and Fourier Transform Infrared spectroscopy (FTIR). After the analysis of the results coming from the first step, very few selected samples were taken to clarify the stratigraphy of the polychrome layers. The first step, based on the combination of imaging and spectroscopic techniques in a totally non-invasive modality, is quite unique in the literature on Egyptian coffins and enabled us to reveal many differences in the ground layer's composition and to identify a remarkable number of pigments in the original and restored areas. This work offered also a chance to check the limitations of the non-invasive approach applied on a complex case, namely the right localization of different materials in the stratigraphy and the identification of binding media. Indeed, to dissolve any remaining doubts on superimposed layers belonging to different interventions, it was necessary to sample few micro-fragments in some selected areas and analyze them prepared as cross-sections. The original ground layer is made of calcite, while the restored areas show the presence of either a mixture of calcite

  13. Multidisciplinary approach for the study of an Egyptian coffin (late 22nd/early 25th dynasty): combining imaging and spectroscopic techniques.

    PubMed

    Bracci, S; Caruso, O; Galeotti, M; Iannaccone, R; Magrini, D; Picchi, D; Pinna, D; Porcinai, S

    2015-06-15

    This paper demonstrates that an educated methodology based on both non-invasive and micro invasive techniques in a two-step approach is a powerful tool to characterize the materials and stratigraphies of an Egyptian coffin, which was restored several times. This coffin, belonging to a certain Mesiset, is now located at the Museo Civico Archeologico of Bologna (inventory number MCABo EG 1963). Scholars attributed it to the late 22nd/early 25th dynasty by stylistic comparison. The first step of the diagnostic approach applied imaging techniques on the whole surface in order to select measurements spots and to unveil both original and restored areas. Images and close microscopic examination of the polychrome surface allowed selecting representative areas to be investigated in situ by portable spectroscopic techniques: X-ray Fluorescence (XRF), Fiber Optic Reflectance Spectroscopy (FORS) and Fourier Transform Infrared spectroscopy (FTIR). After the analysis of the results coming from the first step, very few selected samples were taken to clarify the stratigraphy of the polychrome layers. The first step, based on the combination of imaging and spectroscopic techniques in a totally non-invasive modality, is quite unique in the literature on Egyptian coffins and enabled us to reveal many differences in the ground layer's composition and to identify a remarkable number of pigments in the original and restored areas. This work offered also a chance to check the limitations of the non-invasive approach applied on a complex case, namely the right localization of different materials in the stratigraphy and the identification of binding media. Indeed, to dissolve any remaining doubts on superimposed layers belonging to different interventions, it was necessary to sample few micro-fragments in some selected areas and analyze them prepared as cross-sections. The original ground layer is made of calcite, while the restored areas show the presence of either a mixture of calcite

  14. Multidisciplinary approach for the study of an Egyptian coffin (late 22nd/early 25th dynasty): Combining imaging and spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Bracci, S.; Caruso, O.; Galeotti, M.; Iannaccone, R.; Magrini, D.; Picchi, D.; Pinna, D.; Porcinai, S.

    2015-06-01

    This paper demonstrates that an educated methodology based on both non-invasive and micro invasive techniques in a two-step approach is a powerful tool to characterize the materials and stratigraphies of an Egyptian coffin, which was restored several times. This coffin, belonging to a certain Mesiset, is now located at the Museo Civico Archeologico of Bologna (inventory number MCABo EG 1963). Scholars attributed it to the late 22nd/early 25th dynasty by stylistic comparison. The first step of the diagnostic approach applied imaging techniques on the whole surface in order to select measurements spots and to unveil both original and restored areas. Images and close microscopic examination of the polychrome surface allowed selecting representative areas to be investigated in situ by portable spectroscopic techniques: X-ray Fluorescence (XRF), Fiber Optic Reflectance Spectroscopy (FORS) and Fourier Transform Infrared spectroscopy (FTIR). After the analysis of the results coming from the first step, very few selected samples were taken to clarify the stratigraphy of the polychrome layers. The first step, based on the combination of imaging and spectroscopic techniques in a totally non-invasive modality, is quite unique in the literature on Egyptian coffins and enabled us to reveal many differences in the ground layer's composition and to identify a remarkable number of pigments in the original and restored areas. This work offered also a chance to check the limitations of the non-invasive approach applied on a complex case, namely the right localization of different materials in the stratigraphy and the identification of binding media. Indeed, to dissolve any remaining doubts on superimposed layers belonging to different interventions, it was necessary to sample few micro-fragments in some selected areas and analyze them prepared as cross-sections. The original ground layer is made of calcite, while the restored areas show the presence of either a mixture of calcite

  15. Tomographic multiaxis-differential optical absorption spectroscopy observations of Sun-illuminated targets: a technique providing well-defined absorption paths in the boundary layer.

    PubMed

    Frins, Erna; Bobrowski, Nicole; Platt, Ulrich; Wagner, Thomas

    2006-08-20

    A novel experimental procedure to measure the near-surface distribution of atmospheric trace gases by using passive multiaxis differential absorption optical spectroscopy (MAX-DOAS) is proposed. The procedure consists of pointing the receiving telescope of the spectrometer to nonreflecting surfaces or to bright targets placed at known distances from the measuring device, which are illuminated by sunlight. We show that the partial trace gas absorptions between the top of the atmosphere and the target can be easily removed from the measured total absorption. Thus it is possible to derive the average concentration of trace gases such as NO(2), HCHO, SO(2), H(2)O, Glyoxal, BrO, and others along the line of sight between the instrument and the target similar to the well-known long-path DOAS observations (but with much less expense). If tomographic arrangements are used, even two- or three-dimensional trace gas distributions can be retrieved. The basic assumptions of the proposed method are confirmed by test measurements taken across the city of Heidelberg. PMID:16892129

  16. Structure of the dinuclear active site of urease. X-ray absorption spectroscopic study of native and 2-mercaptoethanol-inhibited bacterial and plant enzymes

    SciTech Connect

    Wang, Shengke; Scott, R.A. ); Lee, M.H.; Hausinger, R.P. ); Clark, P.A.; Wilcox, D.E. )

    1994-04-13

    The structures of the dinuclear Ni(II) active sites of urease from jack bean and Klebsiella aerogenes are compared with and without the addition of the inhibitor 2-mercaptoethanol (2-ME). No significant differences are observed by nickel K-edge X-ray absorption spectroscopy between the plant and bacterial enzymes. The Ni X-ray absorption edge spectra display an 8332-eV 1s[yields]3d peak intensity similar to that observed for five-coordinate Ni(II) compounds[sup 1] for both native and 2-ME-bound derivatives. Curve-fitting of Ni EXAFS data indicates that the average Ni(II) coordination environment in native urease can be described as Ni(imidazole)[sub x](N,O)[sub 5[minus]x], with x = 2 or 3. Addition of 2-ME results in replacement of one of the non-imidazole (N,O) ligands with (S,Cl) (most likely the thiolate sulfur of 2-ME) and results in the appearance of a new peak in the Fourier transforms that can only be fit with a Ni[center dot][center dot][center dot]Ni scattering component at a Ni-Ni distance of [approximately]3.26 [angstrom]. A structure for this 2-ME-bound dinuclear site is proposed to contain the two Ni(II) ions bridged by the thiolate sulfur of 2-ME.

  17. A femtosecond transient absorption spectroscopic study on a carbonyl-containing carotenoid analogue, 2-(all-trans-retinylidene)-indan-1,3-dione

    PubMed Central

    Kusumoto, Toshiyuki; Kosumi, Daisuke; Uragami, Chiasa; Frank, Harry A.; Birge, Robert R.; Cogdell, Richard J.; Hashimoto, Hideki

    2011-01-01

    The photophysical properties of a carbonyl-containing carotenoid analogue in an s-cis configuration, relative to the conjugated π system, 2-(all-trans-retinylidene)-indan-1,3-dione (C20Ind), were investigated by femtosecond time-resolved spectroscopy in various solvents. The lifetime of the optically forbidden S1 state of C20Ind becomes long as solvent polarity increases. This trend is completely opposite to the situation of S1-ICT dynamics of carbonyl-containing carotenoids, such as peridinin and fucoxanthin. Excitation energy dependence of the transient absorption measurements shows that the transient absorption spectra in non-polar solvents were originated from two distinct transient species, while those in polar and protic solvents are due to a single transient species. By referring to the results of MNDO-PSDCI (modified neglect of differential overlap with partial single- and double-configuration interaction) calculations, we conclude: (1) In polar and protic solvents, the S1 state is generated following excitation up to the S2 state; (2) In non-polar solvents, however, both the S1 and 1nπ* states are generated; and (3) C20Ind does not generate the S1-ICT state, despite the fact that it has two conjugated carbonyl groups. PMID:21361262

  18. Zinc absorption in adult men from a chicken sandwich made with white or wholemeal bread, measured by a double-label stable-isotope technique.

    PubMed

    Fairweather-Tait, S J; Fox, T E; Wharf, S G; Eagles, J; Kennedy, H

    1992-05-01

    Eleven fasted adult men consumed a chicken meat sandwich made with white or wholemeal bread, extrinsically labelled with 2 mg 67Zn, on two different occasions. Immediately after eating the sandwich they were given an intravenous injection of 1.5 mg 70Zn. True Zn absorption (which was approximately 7% higher than apparent absorption) was determined by the faecal balance technique by making an allowance for endogenous excretion from measurements of faecal excretion of 70Zn. There was no significant difference in mean true Zn absorption from the white or wholemeal bread sandwich, 33.6 and 25.4% respectively. It was concluded that the substitution of wholemeal for white bread does not reduce Zn absorption from meat-based sandwiches.

  19. Structural and spectroscopic characterization of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid with experimental techniques and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Karabacak, Mehmet; Cinar, Zeliha; Cinar, Mehmet

    2011-09-01

    In this study, the molecular conformation, vibrational and electronic transition analysis of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid (C 7H 4F 2O 2) were presented using experimental techniques (FT-IR, FT-Raman and UV) and quantum chemical calculations. FT-IR and FT-Raman spectra in solid state were recorded in the region 4000-400 cm -1 and 4000-5 cm -1, respectively. The UV absorption spectra of the compounds that dissolved in ethanol were recorded in the range of 200-800 nm. The structural properties of the molecules in the ground state were calculated using density functional theory (DFT) and second order Møller-Plesset perturbation theory (MP2) employing 6-311++G(d,p) basis set. Optimized structure of compounds was interpreted and compared with the earlier reported experimental values. The scaled vibrational wavenumbers were compared with experimental results. The complete assignments were performed on the basis of the experimental data and total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. A study on the electronic properties, such as absorption wavelength, excitation energy, dipole moment and frontier molecular orbital energy, were performed by time dependent DFT (TD-DFT) approach. Based on the UV spectra and TD-DFT calculations, the electronic structure and the assignments of the absorption bands of steady compounds were discussed. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecules.

  20. Molecular binding mechanisms of manganese to the root cell wall of Phytolacca americana L. using multiple spectroscopic techniques.

    PubMed

    Xu, Xianghua; Yang, Jianjun; Zhao, Xiaoyan; Zhang, Xuesong; Li, Renying

    2015-10-15

    The root cell wall (RCW) of Mn hyperaccumulator Phytolacca americana L. (P. americana) plays an important role in immobilizing and detoxifying excessive Mn, but the molecular binding mechanism of Mn to RCW has been little studied. This study investigated the effect of varied pH on Mn adsorption by the isolated RCW from P. americana in batch experiments, and explored the binding mechanisms of Mn to RCW using Fourier transform infrared spectroscopy (FTIR), synchrotron-based X-ray absorption near-edge structure (XANES), and extended X-ray fine structure spectroscopy (EXAFS). Results showed that Mn binding capacity depends on solution pH, with an optimal pH of 5.0-6.0. Experimental isotherm data could be successfully modeled by the Langmuir and Freundlich equations; the estimated maximum Mn adsorption capacity was 5.446 mg g(-1) according to the established Langmuir isotherm. FTIR spectroscopy demonstrated hydroxyl and carboxyl groups were probably involved in the Mn binding process. XANES results showed that Mn remained as Mn(II) after adsorption on RCW, without any change of oxidation state; EXAFS analysis further revealed that Mn was complexed to RCW via bidentate inner-sphere coordination with carboxyl, which provides new structure information of Mn adsorbed on biomaterials and accounted for high Mn accumulation on RCW of P. americana.

  1. Molecular binding mechanisms of manganese to the root cell wall of Phytolacca americana L. using multiple spectroscopic techniques.

    PubMed

    Xu, Xianghua; Yang, Jianjun; Zhao, Xiaoyan; Zhang, Xuesong; Li, Renying

    2015-10-15

    The root cell wall (RCW) of Mn hyperaccumulator Phytolacca americana L. (P. americana) plays an important role in immobilizing and detoxifying excessive Mn, but the molecular binding mechanism of Mn to RCW has been little studied. This study investigated the effect of varied pH on Mn adsorption by the isolated RCW from P. americana in batch experiments, and explored the binding mechanisms of Mn to RCW using Fourier transform infrared spectroscopy (FTIR), synchrotron-based X-ray absorption near-edge structure (XANES), and extended X-ray fine structure spectroscopy (EXAFS). Results showed that Mn binding capacity depends on solution pH, with an optimal pH of 5.0-6.0. Experimental isotherm data could be successfully modeled by the Langmuir and Freundlich equations; the estimated maximum Mn adsorption capacity was 5.446 mg g(-1) according to the established Langmuir isotherm. FTIR spectroscopy demonstrated hydroxyl and carboxyl groups were probably involved in the Mn binding process. XANES results showed that Mn remained as Mn(II) after adsorption on RCW, without any change of oxidation state; EXAFS analysis further revealed that Mn was complexed to RCW via bidentate inner-sphere coordination with carboxyl, which provides new structure information of Mn adsorbed on biomaterials and accounted for high Mn accumulation on RCW of P. americana. PMID:25917696

  2. Use of Spectroscopic Techniques to Reveal the Nature of the Interactions of Two Sialic Acid Specific Lectins with Gold Nanoparticles.

    PubMed

    Singha, Shuvendu; Dutta, Gopa; Bose, Partha P; Das, Subrata; Bardhan, Munmun; Chatterjee, Bishnu P; Ganguly, Tapan

    2016-01-01

    From UV-vis absorption, steady state and time resolved fluorescence measurements coupled with circular dichroism (CD) spectral studies, it was revealed that among the two lectins: Sambucus nigra agglutinin (SNA) and Saraca indica (saracin II), SNA forms stronger binding complex in the ground state with gold nanoparticles (GNPs). From the measurements of Stern-Volmer (SV) constants Ksv, and binding constants K(A) and number of binding sites two important inferences could be drawn. Firstly, the fluorescence quenching is primarily due to static quenching and secondly SNA forms stronger binding with GNPs relative to the other lectin saracin II. Synchronous fluorescence spectral measurements further substantiate this proposition of exhibiting the fully exposed tryptophan residue in case of SNA. It appears that the lectin SNA adopted a relatively looser conformation with the extended polypeptide structures leading to the exposure of the hydrophobic cavities which favoured stronger binding with GNPs. CD measurements demonstrate that gold nanoparticles when interact with the lectins (glycoproteins), no significant distortion in the structural pattern of the later occurs. The unaltered identity in the secondary structural pattern of both SNA and saracin II in presence of gold nanoparticles hints that GNPs may be used as useful drug or drug delivery systems. PMID:27398481

  3. Emission source strengths of gasoline-filling processes determined by open-path spectroscopic techniques and inverse modeling

    NASA Astrophysics Data System (ADS)

    Schaefer, Klaus; Stockhause, Martina; Hoffmann, Herbert; Sedlmaier, Achim; Emeis, Stefan M.

    1998-12-01

    Up to now emission source strengths of diffuse and heterogenous emission of important VOCs are not well known especially from gas stations and gasoline tank farms. To estimate the total emission of these sources non-intrusive measurements were performed by a differential optical absorption spectroscopy (DOAS) system to determine the path- integrated concentrations of exhaust compounds downwind of the source through the whole exhaust plume. Simultaneously, the meteorological parameters were measured for modeling the dispersion of the plume inversely to obtain the emission source strengths of these compounds. The emissions by road traffic were determined by an additional open-path DOAS measurement. Measurement campaigns were performed during different wether conditions and at different sources which were characterized by well defined and easy air flow conditions. The emission source strengths were calculated with the Gaussian model PAL. The determined total emission of gas stations with gasoline vapor recovery system are about 20 mg benzene per kg refueled gasoline and the emission from refueling activities vary between 1 and 9 benzene per kg refueled gasoline depending on the technical behavior of the gasoline vapor recovery system. These values which were found from measurements during times with a and without refueling activities show a high amount of diffuse emissions. The emission rates from a gasoline taken farm were measured on an open path through the middle of that area and a maximum of 8 (mu) g/(m2s) was determined.

  4. Applications of the direct photon absorption technique for measuring bone mineral content in vivo. Determination of body composition in vivo

    NASA Technical Reports Server (NTRS)

    Cameron, J. R.

    1972-01-01

    The bone mineral content, BMC, determined by monoenergetic photon absorption technique, of 29 different locations on the long bones and vertebral columns of 24 skeletons was measured. Compressive tests were made on bone from these locations in which the maximum load and maximum stress were measured. Also the ultimate strain, modulus of elasticity and energy absorbed to failure were determined for compact bone from the femoral diaphysis and cancellous bone from the eighth through eleventh thoracic vertebrae. Correlations and predictive relationships between these parameters were examined to investigate the applicability of using the BMC at sites normally measured in vivo, i.e. radius and ulna in estimating the BMC and/or strength of the spine or femoral neck. It was found that the BMC at sites on the same bone were highly correlated r = 0.95 or better; the BMC at sites on different bones were also highly interrelated, r = 0.85. The BMC at various sites on the long bones could be estimated to between 10 and 15 per cent from the BMC of sites on the radius or ulna.

  5. Standardization and validation of a new atomic absorption spectroscopy technique for determination and quantitation of aluminium adjuvant in immunobiologicals.

    PubMed

    Mishra, Arti; Bhalla, Sumir Rai; Rawat, Sameera; Bansal, Vivek; Sehgal, Rakesh; Kumar, Sunil

    2007-10-01

    In the present study, Aluminium quantification in immunobiologicals has been described using atomic absorption spectroscopy (AAS) technique. The assay was found to be linear in 25-125 microg/ml Aluminium range. The procedure was found to be accurate for different vaccines with recoveries of external additions ranging between 93.26 and 103.41%. The mean Limit of Variation (L.V.) for both intra- and inter-assay precision was calculated to be 1.62 and 2.22%, respectively. Further the procedure was found to be robust in relation to digestion temperature, alteration in acid (HNO(3) and H(2)SO(4)) ratio used for sample digestion and storage of digested vaccine samples up to a period of 15 days. After validation, AAS method was compared for its equivalency with routinely used complexometric titration method. On simultaneously applying on seven different groups of both bacterial and viral vaccines, viz., DPT, DT, TT, Hepatitis-A and B, Antirabies vaccine (cell culture) and tetravalent DPT-Hib, a high degree of positive correlation (+0.85-0.998) among AAS and titration methods was observed. Further AAS method was found to have an edge over complexometric titration method that a group of vaccines, viz., ARV (cell culture, adsorbed) and Hepatitis-A, in which Aluminium estimation is not feasible by pharmacopoeial approved complexometric titration method (possibly due to some interference in the sample matrix), this newly described and validated AAS assay procedure delivered accurate and reproducible results.

  6. An efficient and accurate technique to compute the absorption, emission, and transmission of radiation by the Martian atmosphere

    NASA Technical Reports Server (NTRS)

    Lindner, Bernhard Lee; Ackerman, Thomas P.; Pollack, James B.

    1990-01-01

    CO2 comprises 95 pct. of the composition of the Martian atmosphere. However, the Martian atmosphere also has a high aerosol content. Dust particles vary from less than 0.2 to greater than 3.0. CO2 is an active absorber and emitter in near IR and IR wavelengths; the near IR absorption bands of CO2 provide significant heating of the atmosphere, and the 15 micron band provides rapid cooling. Including both CO2 and aerosol radiative transfer simultaneously in a model is difficult. Aerosol radiative transfer requires a multiple scattering code, while CO2 radiative transfer must deal with complex wavelength structure. As an alternative to the pure atmosphere treatment in most models which causes inaccuracies, a treatment was developed called the exponential sum or k distribution approximation. The chief advantage of the exponential sum approach is that the integration over k space of f(k) can be computed more quickly than the integration of k sub upsilon over frequency. The exponential sum approach is superior to the photon path distribution and emissivity techniques for dusty conditions. This study was the first application of the exponential sum approach to Martian conditions.

  7. Structural Analysis of Freshwater-Cultured Pearls with Different Lusters Using the Extended X-Ray Absorption Fine Structure Technique

    NASA Astrophysics Data System (ADS)

    Monarumit, N.; Noirawee, N.; Phlayrahan, A.; Promdee, K.; Won-in, K.; Satitkune, S.

    2016-05-01

    The quality of freshwater-cultured pearls (Chamberlainia hainesiana) is determined by their luster, which is related to the content of the two CaCO3 mineral phases: aragonite and vaterite. The atomic structures of pearl samples were analyzed by the extended X-ray absorption fine structure (EXAFS) technique using synchrotron radiation to compare the atomic environment and atomic bonding around Ca atoms of high- and low-luster pearls. The Ca K-edge EXAFS spectra of the pearl samples were determined and interpreted in terms of the photoelectron wave number and the distance between Ca atoms and neighboring atoms. From the results, the wave oscillation of high-luster pearls is less than that of low-luster pearls. This indicates the presence of the aragonite phase in high-luster pearls and a combination of aragonite and vaterite phases in low-luster pearls, especially in the fi rst and second shells of Ca atoms. It can be concluded that the different lusters of freshwater-cultured pearls are related to the different CaCO3 phases in their structures.

  8. A multi-epoch spectroscopic study of the BAL quasar APM 08279+5255. II. Emission- and absorption-line variability time lags

    NASA Astrophysics Data System (ADS)

    Saturni, F. G.; Trevese, D.; Vagnetti, F.; Perna, M.; Dadina, M.

    2016-03-01

    Context. The study of high-redshift bright quasars is crucial to gather information about the history of galaxy assembly and evolution. Variability analyses can provide useful data on the physics of quasar processes and their relation with the host galaxy. Aims: In this study, we aim to measure the black hole mass of the bright lensed BAL QSO APM 08279+5255 at z = 3.911 through reverberation mapping, and to update and extend the monitoring of its C IV absorption line variability. Methods: We perform the first reverberation mapping of the Si IV and C IV emission lines for a high-luminosity quasar at high redshift with the use of 138 R-band photometric data and 30 spectra available over 16 years of observations. We also cross-correlate the C IV absorption equivalent width variations with the continuum light curve to estimate the recombination time lags of the various absorbers and infer the physical conditions of the ionised gas. Results: We find a reverberation-mapping time lag of ~900 rest-frame days for both Si IV and C IV emission lines. This is consistent with an extension of the BLR size-to-luminosity relation for active galactic nuclei up to a luminosity of ~1048 erg s-1, and implies a black hole mass of 1010 M⊙. Additionally, we measure a recombination time lag of ~160 days in the rest frame for the C IV narrow absorption system, which implies an electron density of the absorbing gas of ~2.5 × 104 cm-3. Conclusions: The measured black hole mass of APM 08279+5255 indicates that the quasar resides in an under-massive host-galaxy bulge with Mbulge ~ 7.5MBH, and that the lens magnification is lower than ~8. Finally, the inferred electron density of the narrow-line absorber implies a distance of the order of 10 kpc of the absorbing gas from the quasar, placing it within the host galaxy.

  9. The X-ray absorption spectroscopic model of the copper(II) imidazole complex ion in liquid aqueous solution: a strongly solvated square pyramid.

    PubMed

    Frank, Patrick; Benfatto, Maurizio; Hedman, Britt; Hodgson, Keith O

    2012-02-20

    Cu K-edge extended X-ray absorption fine structure (EXAFS) and Minuit X-ray absorption near-edge structure (MXAN) analyses were combined to evaluate the structure of the copper(II) imidazole complex ion in liquid aqueous solution. Both methods converged to the same square-pyramidal inner coordination sphere [Cu(Im)(4)L(ax)](2+) (L(ax) indeterminate) with four equatorial nitrogen atoms at EXAFS, 2.02 ± 0.01 Å, and MXAN, 1.99 ± 0.03 Å. A short-axial N/O scatterer (L(ax)) was found at 2.12 ± 0.02 Å (EXAFS) or 2.14 ± 0.06 Å (MXAN). A second but very weak axial Cu-N/O interaction was found at 2.9 ± 0.1 Å (EXAFS) or 3.0 ± 0.1 Å (MXAN). In the MXAN fits, only a square-pyramidal structural model successfully reproduced the doubled maximum of the rising K-edge X-ray absorption spectrum, specifically excluding an octahedral model. Both EXAFS and MXAN also found eight outlying oxygen scatterers at 4.2 ± 0.3 Å that contributed significant intensity over the entire spectral energy range. Two prominent rising K-edge shoulders at 8987.1 and 8990.5 eV were found to reflect multiple scattering from the 3.0 Å axial scatterer and the imidazole rings, respectively. In the MXAN fits, the imidazole rings took in-plane rotationally staggered positions about copper. The combined (EXAFS and MXAN) model for the unconstrained cupric imidazole complex ion in liquid aqueous solution is an axially elongated square-pyramidal core, with a weak nonbonded interaction at the second axial coordination position and a solvation shell of eight nearest-neighbor water molecules. This core square-pyramidal motif has persisted through [Cu(H(2)O)(5)](2+), [Cu(NH(3))(4)(NH(3),H(2)O)](2+), (1, 2) and now [Cu(Im)(4)L(ax))](2+) and appears to be the geometry preferred by unconstrained aqueous-phase copper(II) complex ions. PMID:22316238

  10. Spectroscopic characterization of C7H3(+) and C7H3˙: electronic absorption and fluorescence in 6 K neon matrices.

    PubMed

    Chakraborty, Arghya; Fulara, Jan; Dietsche, Rainer; Maier, John P

    2014-04-21

    Mass selective deposition of C7H3(+) (m/z = 87) into solid neon reveals the 1(1)A1←X(1)A1 electronic absorption system of hepta-1,2,3,4,5,6-heptahexaenylium cation B(+) [H2CCCCCCCH](+) with an origin band at 441.3 nm, 1(1)A'←X(1)A' transition of 2,4-pentadiynylium,1-ethynyl cation C(+) [HCCCHCCCCH](+) starting at 414.6 nm and the 1(1)A1←X(1)A1 one of cyclopropenylium,1,3-butadiynyl cation A(+) [HCCCCC<(CH=CH)](+) with an onset at 322.2 nm. Vibrationally resolved fluorescence was observed for isomer B(+) upon laser excitation of the absorption bands in the 1(1)A1←X(1)A1 transition. After neutralization of the cations in the matrix five absorption systems of the C7H3 neutral radicals starting at 530.3, 479.4, 482.3, 325.0 and 302.5 nm were detected. These were identified as the 1(2)A'←X(2)A' and 2(2)A'←X(2)A' electronic transitions of 2-(buta-1,3-diynyl)cycloprop-2yl-1-1ylidene E˙ [HCCCCC<(C=CH2)]˙, 1(2)B1←X(2)B1 of 1,2,3,4,5,6-heptahexaenyl B˙ [H2CCCCCCCH]˙, 3(2)B1←X(2)B1 of 3-buta-1,3-diynyl-cyclopropenyl A˙ [HCCCCC<(CH=CH)]˙ and 2(2)B1←X(2)A2 transition of 1,2-divinylidene-cyclopropanyl radical F˙ [HCC-cyc-(CCHC)-CCH]˙, respectively. The assignment is based on calculated vertical excitation energies using the CASPT2 method. Comparison of the calculated harmonic vibrational frequencies with those inferred from the spectra supports the assignment.

  11. In vitro study of damaging effects of 2,4-dichlorophenoxyacetic acid on DNA structure by spectroscopic and voltammetric techniques.

    PubMed

    Ahmadi, Farhad; Bakhshandeh, Fatemeh

    2009-10-01

    2,4-Dichlorophenoxyacetic acid (2,4-D) is a genotoxic organochlorinated herbicide, and its interaction with DNA was studied by UV/Vis, fluorescence, circular dichroism viscosity measurements, and alternative current voltammetry techniques. Using these analyses, the binding constant of 2,4-D to DNA has been calculated by two different techniques. The binding constant of 2,4-D to DNA calculated by fluorescence and circular dichroism spectra was found to be 3.5 x 10(3) M(-1) and 5.02 x 10(3) M(-1), respectively. Analyses of fluorescence spectra, viscosity measurements, and alternative current voltammetry interactions indicated that 2,4-D is a groove binder of DNA. Ethidium bromide displacement studies revealed that 2,4-D does not have any effect on ethidium bromide-bound DNA, which is indicative of groove binding.

  12. Combining spectroscopic data in the forensic analysis of paint: Application of a multiblock technique as chemometric tool.

    PubMed

    Lambert, Danny; Muehlethaler, Cyril; Esseiva, Pierre; Massonnet, Geneviève

    2016-06-01

    A study (Muehlethaler et al. [9]) has demonstrated the application of chemometrics for the analysis of domestic red paints. The paints have been analyzed with IR and Raman spectroscopies. As a result of these analyses, exploratory techniques, such as principal component analysis (PCA) and hierarchical clusters analysis (HCA) have been applied to both IR and Raman spectra. This allowed to observe the structure of the data among those red paints, and infer potential groups among them and to propose a classification model based on their chemical composition. IR spectroscopy showed group patterns related mainly to the binder and extender composition of the paints, whereas Raman spectroscopy data were mainly related to the pigment composition. The aim of the present study is to evaluate the potential of a Multiblock algorithm applied to the same data set. The concept of Multiblock, as a chemometric tool, is to combine data from several different analytical techniques in order to visualize most of the information at once. IR and Raman spectroscopy are then considered as "blocks" of data of the same dataset. One algorithm called common component and specific weight analysis (CCSWA) has been used in order to produce independent PCAs for each block, and the combined (common) information in a score plot. The results of this study showed group patterns of the analyzed paints, related to both binder and pigment compositions in one single score plot. Moreover, the number of groups observed with the multiblock representation (20 groups) is higher than independent PCAs projections (12 and 7 groups for IR and Raman respectively). This new application of chemometrics showed a great potential in forensic science, as practitioners often use a combination of several analytical techniques in order to characterize samples. This could be helpful when multiple and complementary analytical techniques are used in order to characterize and compare paint samples.

  13. On-line preferential solvation studies of polymers by coupled chromatographic-Fourier transform infrared spectroscopic flow-cell technique.

    PubMed

    Malanin, M; Eichhorn, K-J; Lederer, A; Treppe, P; Adam, G; Fischer, D; Voigt, D

    2009-12-18

    Qualitative and quantitative comparison between liquid chromatography (LC) and LC coupled with Fourier transform infrared spectroscopy (LC-FTIR) to evaluate preferential solvation phenomenon of polymers in a mixed solvent has been performed. These studies show that LC-FTIR technique leads to detailed structural information without the requirement for determination of additional parameters for quantitative analysis except calibration. Appropriate experimental conditions for preferential solvation study have been established by variation of polymer concentration, molar mass and eluent content.

  14. X-ray absorption spectroscopic studies of the dinuclear iron center in methane monooxygenase and the sulfure and chlorine centers in photographic materials

    SciTech Connect

    DeWitt, J.G.

    1992-12-01

    The dinuclear iron center of the hydroxylase component of soluble methane monooxygenase (MMO) from Methylococcus capsulatus and Methylosinus trichosporiwn has been studied by X-ray absorption spectroscopy. Analysis of the Fe K-edge EXAFS revealed that the first shell coordination of the Fe(HI)Fe(IH) oxidized state of the hydroxylase from M. capsulatus consists of approximately 6 N and 0 atoms at an average distance of 2.04 {Angstrom}. The Fe-Fe distance was determined to be 3.4 {Angstrom}. No evidence for the presence of a short oxo bridge in the iron center of the oxidized hydroxylase was found, suggesting that the active site of MMO is significantly different from the active sites of the dinuclear iron proteins hemery and ribonucleotide reductase. In addition, the results of the first shell fits suggest that there are more oxygen than nitrogen donor ligands.

  15. X-ray absorption spectroscopic studies of the dinuclear iron center in methane monooxygenase and the sulfure and chlorine centers in photographic materials

    SciTech Connect

    DeWitt, J.G.

    1992-12-01

    The dinuclear iron center of the hydroxylase component of soluble methane monooxygenase (MMO) from Methylococcus capsulatus and Methylosinus trichosporiwn has been studied by X-ray absorption spectroscopy. Analysis of the Fe K-edge EXAFS revealed that the first shell coordination of the Fe(HI)Fe(IH) oxidized state of the hydroxylase from M. capsulatus consists of approximately 6 N and 0 atoms at an average distance of 2.04 [Angstrom]. The Fe-Fe distance was determined to be 3.4 [Angstrom]. No evidence for the presence of a short oxo bridge in the iron center of the oxidized hydroxylase was found, suggesting that the active site of MMO is significantly different from the active sites of the dinuclear iron proteins hemery and ribonucleotide reductase. In addition, the results of the first shell fits suggest that there are more oxygen than nitrogen donor ligands.

  16. Applications of absorption spectroscopy using quantum cascade lasers.

    PubMed

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

    2014-01-01

    Infrared laser absorption spectroscopy (LAS) is a promising modern technique for sensing trace gases with high sensitivity, selectivity, and high time resolution. Mid-infrared quantum cascade lasers, operating in a pulsed or continuous wave mode, have potential as spectroscopic sources because of their narrow linewidths, single mode operation, tunability, high output power, reliability, low power consumption, and compactness. This paper reviews some important developments in modern laser absorption spectroscopy based on the use of quantum cascade laser (QCL) sources. Among the various laser spectroscopic methods, this review is focused on selected absorption spectroscopy applications of QCLs, with particular emphasis on molecular spectroscopy, industrial process control, combustion diagnostics, and medical breath analysis. PMID:25239063

  17. Development of a low resolution (1)H NMR spectroscopic technique for the study of matrix mobility in fresh and freeze-thawed hen egg yolk.

    PubMed

    Au, Carmen; Wang, Tong; Acevedo, Nuria C

    2016-08-01

    Three experiments were conducted in developing a low resolution proton nuclear magnetic resonance ((1)H NMR) spectroscopic technique to study matrix mobility in fresh and freeze-thawed gelled yolk. The Carr-Purcell-Meiboom-Gill (CPMG) sequence was used to measure spin-spin relaxation times of proton pools representing major yolk constituents. A component identification test distinguished 3-4 pools. The least mobile pool was assigned to proteins, protein-lipid and protein-water interactions, and the most mobile to unbound water. The remaining pools were assigned to lipids, lipid-protein and lipid-water interactions. A stability test indicated that yolk had varied matrix mobility within the same sample across five days of refrigeration storage. A reproducibility test demonstrated high repeatability of fresh yolk measurements, but significant differences (p<0.05) were found within gelled yolk samples. This research determined that (1)H NMR spectroscopy, a non-destructive technique, can identify yolk components and detect changes in the matrix.

  18. Mercury in Environmental and Biological Samples Using Online Combustion with Sequential Atomic Absorption and Fluorescence Measurements: A Direct Comparison of Two Fundamental Techniques in Spectrometry

    ERIC Educational Resources Information Center

    Cizdziel, James V.

    2011-01-01

    In this laboratory experiment, students quantitatively determine the concentration of an element (mercury) in an environmental or biological sample while comparing and contrasting the fundamental techniques of atomic absorption spectrometry (AAS) and atomic fluorescence spectrometry (AFS). A mercury analyzer based on sample combustion,…

  19. COMPENSATIONAL THREE-WAVELENGTH DIFFERENTIAL-ABSORPTION LIDAR TECHNIQUE FOR REDUCING THE INFLUENCE OF DIFFERENTIAL SCATTERING ON OZONE-CONCENTRATION MEASUREMENTS.

    EPA Science Inventory

    A three-wavelength differential-absorption lidar (DIAL) technique for the UV spectral region is presented that reduces the influence of aerosol differential scattering on measured O3-concentration profiles. The principal advantage of this approach is that, to a good first approxi...

  20. Determining the mode of interaction of calf thymus DNA with the drug sumatriptan using voltammetric and spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Shahabadi, Nahid; Moghadam, Neda Hosseinpour

    2012-12-01

    The interaction of native calf thymus DNA with sumatriptan(1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide) at physiological pH was studied by spectrophotometry, circular dichroism, voltammetry and viscosimetric techniques. Sumatriptan molecule intercalated between base pairs of DNA, showed by a sharp increase in specific viscosity of DNA. In cyclic voltammetry, decrease of the peak current and positive shift indicated that this drug is able to intercalate between the DNA base pairs. In addition, the drug induced changes in the CD spectrum of CT-DNA, as well as hypochromism changes in its UV-vis spectrum.

  1. Quantitative analysis of deconvolved X-ray absorption near-edge structure spectra: a tool to push the limits of the X-ray absorption spectroscopy technique.

    PubMed

    D'Angelo, Paola; Migliorati, Valentina; Persson, Ingmar; Mancini, Giordano; Della Longa, Stefano

    2014-09-15

    A deconvolution procedure has been applied to K-edge X-ray absorption near-edge structure (XANES) spectra of lanthanoid-containing solid systems, namely, hexakis(dmpu)praseodymium(III) and -gadolinium(III) iodide. The K-edges of lanthanoids cover the energy range 38 (La)-65 (Lu) keV, and the large widths of the core-hole states lead to broadening of spectral features, reducing the content of structural information that can be extracted from the raw X-ray absorption spectra. Here, we demonstrate that deconvolution procedures allow one to remove most of the instrumental and core-hole lifetime broadening in the K-edge XANES spectra of lanthanoid compounds, highlighting structural features that are lost in the raw data. We show that quantitative analysis of the deconvolved K-edge XANES spectra can be profitably used to gain a complete local structural characterization of lanthanoid-containing systems not only for the nearest neighbor atoms but also for higher-distance coordination shells. PMID:25171598

  2. Electronic absorption and luminescence spectroscopic studies of kyanite single crystals: differentiation between excitation of FeTi charge transfer and Cr3+ dd transitions

    NASA Astrophysics Data System (ADS)

    Platonov, A. N.; Tarashchan, A. N.; Langer, K.; Andrut, M.; Partzsch, G.; Matsyuk, S. S.

    A selected set of five different kyanite samples was analysed by electron microprobe and found to contain chromium between <0.001 and 0.055 per formula unit (pfu). Polarized electronic absorption spectroscopy on oriented single crystals, R1, R2-sharp line luminescence and spectra of excitation of λ3- and λ4-components of R1-line of Cr3+-emission had the following results: (1) The Fe2+-Ti4+ charge transfer in c-parallel chains of edge connected M(1) and M(2) octahedra shows up in the electronic absorption spectra as an almost exclusively c(||Z')-polarized, very strong and broad band at 16000 cm-1 if < , in this case the only band in the spectrum, and at an invariably lower energy of 15400 cm-1 in crystals with >= . The energy difference is explained by an expansion of the Of-Ok, and Ob-Om edges, by which the M(1) and M(2) octahedra are interconnected (Burnham 1963), when Cr3+ substitutes for Al compared to the chromium-free case. (2) The Cr3+ is proven in two greatly differing crystal fields a and b, giving rise to two sets of bands, derived from the well known dd transitions of Cr3+4A2g-->4T2g(F)(I), -->4T1g(F)(II), and -->4T1g(P)(III). Band energies in the two sets a and b, as obtained by absorption, A, and excitation, E, agree well: I: 17300(a,A), 17200(a,E), 16000(b,A), 16200(b,E) II: 24800(a,A), 24400(a,E) 22300(b,A), 22200(b,E) III: 28800(b,A) cm-1. Evaluation of crystal field parameters from the bands in the electronic spectra yield Dq(a)=1730 cm-1, Dq(b)=1600 cm-1, B(a)=790 cm-1, B(b)=620 cm-1 (errors ca. +/-10 cm-1), again in agreement with values extracted from the λ3,λ4 excitation spectra. The CF-values of set a are close to those typical of Cr3+ substituting for Al in octahedra of other silicate minerals without constitutional OH- as for sapphirine, mantle garnets or beryl, and are, therefore, interpreted as caused by Cr3+ substituting for Al in some or all of the M(1) to M(4) octaheda of the kyanite structure, which are crystallographically

  3. Constraining the N2O5 UV absorption cross section from spectroscopic trace gas measurements in the tropical mid-stratosphere

    NASA Astrophysics Data System (ADS)

    Kritten, L.; Butz, A.; Chipperfield, M. P.; Dorf, M.; Dhomse, S.; Hossaini, R.; Oelhaf, H.; Prados-Roman, C.; Wetzel, G.; Pfeilsticker, K.

    2014-09-01

    The absorption cross section of N2O5, σN2O5(λ, T), which is known from laboratory measurements with the uncertainty of a factor of 2 (Table 4-2 in (Jet Propulsion Laboratory) JPL-2011; the spread in laboratory data, however, points to an uncertainty in the range of 25 to 30%, Sander et al., 2011), was investigated by balloon-borne observations of the relevant trace gases in the tropical mid-stratosphere. The method relies on the observation of the diurnal variation of NO2 by limb scanning DOAS (differential optical absorption spectroscopy) measurements (Weidner et al., 2005; Kritten et al., 2010), supported by detailed photochemical modelling of NOy (NOx(= NO + NO2) + NO3 + 2N2O5 + ClONO2 + HO2NO2 + BrONO2 + HNO3) photochemistry and a non-linear least square fitting of the model result to the NO2 observations. Simulations are initialised with O3 measured by direct sun observations, the NOy partitioning from MIPAS-B (Michelson Interferometer for Passive Atmospheric Sounding - Balloon-borne version) observations in similar air masses at night-time, and all other relevant species from simulations of the SLIMCAT (Single Layer Isentropic Model of Chemistry And Transport) chemical transport model (CTM). Best agreement between the simulated and observed diurnal increase of NO2 is found if the σN2O5(λ, T) is scaled by a factor of 1.6 ± 0.8 in the UV-C (200-260 nm) and by a factor of 0.9 ± 0.26 in the UV-B/A (260-350 nm), compared to current recommendations. As a consequence, at 30 km altitude, the N2O5 lifetime against photolysis becomes a factor of 0.77 shorter at solar zenith angle (SZA) of 30° than using the recommended σN2O5(λ, T), and stays more or less constant at SZAs of 60°. Our scaled N2O5 photolysis frequency slightly reduces the lifetime (0.2-0.6%) of ozone in the tropical mid- and upper stratosphere, but not to an extent to be important for global ozone.

  4. Evaluating the abnormal ossification in tibiotarsi of developing chick embryos exposed to 1.0ppm doses of platinum group metals by spectroscopic techniques.

    PubMed

    Stahler, Adam C; Monahan, Jennifer L; Dagher, Jessica M; Baker, Joshua D; Markopoulos, Marjorie M; Iragena, Diane B; NeJame, Britney M; Slaughter, Robert; Felker, Daniel; Burggraf, Larry W; Isaac, Leon A C; Grossie, David; Gagnon, Zofia E; Sizemore, Ioana E Pavel

    2013-04-01

    Platinum group metals (PGMs), i.e., palladium (Pd), platinum (Pt) and rhodium (Rh), are found at pollutant levels in the environment and are known to accumulate in plant and animal tissues. However, little is known about PGM toxicity. Our previous studies showed that chick embryos exposed to PGM concentrations of 1mL of 5.0ppm (LD50) and higher exhibited severe skeletal deformities. This work hypothesized that 1.0ppm doses of PGMs will negatively impact the mineralization process in tibiotarsi. One milliliter of 1.0ppm of Pd(II), Pt(IV), Rh(III) aqueous salt solutions and a PGM-mixture were injected into the air sac on the 7th and 14th day of incubation. Control groups with no-injection and vehicle injections were included. On the 20th day, embryos were sacrificed to analyze the PGM effects on tibiotarsi using four spectroscopic techniques. 1) Micro-Raman imaging: Hyperspectral Raman data were collected on paraffin embedded cross-sections of tibiotarsi, and processed using in-house-written MATLAB codes. Micro-Raman univariate images that were created from the ν1(PO4(3-)) integrated areas revealed anomalous mineral inclusions within the bone marrow for the PGM-mixture treatment. The age of the mineral crystals (ν(CO3(2-))/ν1(PO4(3-))) was statistically lower for all treatments when compared to controls (p≤0.05). 2) FAAS: The percent calcium content of the chemically digested tibiotarsi in the Pd and Pt groups changed by ~45% with respect to the no-injection control (16.1±0.2%). 3) Micro-XRF imaging: Abnormal calcium and phosphorus inclusions were found within the inner longitudinal sections of tibiotarsi for the PGM-mixture treatment. A clear increase in the mineral content was observed for the outer sections of the Pd treatment. 4) ICP-OES: PGM concentrations in tibiotarsi were undetectable (<5ppb). The spectroscopic techniques gave corroborating results, confirmed the hypothesis, and explained the observed pathological (skeletal developmental abnormalities

  5. Chemical and morphological changes in hydrochars derived from microcrystalline cellulose and investigated by chromatographic, spectroscopic and adsorption techniques.

    PubMed

    Diakité, Mamadou; Paul, Andrea; Jäger, Christian; Pielert, Judith; Mumme, Jan

    2013-12-01

    Hydrothermal carbonization (HTC) can be used for converting the biomass into a carbon-rich material, whose application as a fuel requires higher heating value, whereas soil amendment needs stable carbon. This work was focused on the characterization of hydrochars derived from microcrystalline cellulose. The chars were investigated using elemental analysis, Brunauer-Emmett-Teller technique, nuclear magnetic resonance spectroscopy, Raman, Fourier transform infrared, and electron spin resonance spectroscopy. Severity in temperature between 230 and 270°C with reaction times between 2 and 10 h only affect the carbon content moderately. The results show that aromatization of HTC chars correlates well with temperature, which was further supported by the increase of organic radicals with decreasing g values at higher temperatures. Based on these results, the energetic use of chars favors mild HTC (T<230°C and t≤6 h), while the soil amendement favors serve conditions (T≥230°C, and t>6 h).

  6. Precise oxygen and hydrogen isotope determination in nanoliter quantities of speleothem inclusion water by cavity ring-down spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Uemura, Ryu; Nakamoto, Masashi; Asami, Ryuji; Mishima, Satoru; Gibo, Masakazu; Masaka, Kosuke; Jin-Ping, Chen; Wu, Chung-Che; Chang, Yu-Wei; Shen, Chuan-Chou

    2016-01-01

    Speleothem inclusion-water isotope compositions are a promising new climatic proxy, but their applicability is limited by their low content in water and by analytical challenges. We have developed a precise and accurate isotopic technique that is based on cavity ring-down spectroscopy (CRDS). This method features a newly developed crushing apparatus, a refined sample extraction line, careful evaluation of the water/carbonate adsorption effect. After crushing chipped speleothem in a newly-developed crushing device, released inclusion water is purified and mixed with a limited amount of nitrogen gas in the extraction line for CRDS measurement. We have measured 50-260 nL of inclusion water from 77 to 286 mg of stalagmite deposits sampled from Gyokusen Cave, Okinawa Island, Japan. The small sample size requirement demonstrates that our analytical technique can offer high-resolution inclusion water-based paleoclimate reconstructions. The 1σ reproducibility for different stalagmites ranges from ±0.05 to 0.61‰ for δ18O and ±0.0 to 2.9‰ for δD. The δD vs. δ18O plot for inclusion water from modern stalagmites is consistent with the local meteoric water line. The 1000 ln α values based on calcite and fluid inclusion measurements from decades-old stalagmites are in agreement with the data from present-day farmed calcite experiment. Combination of coeval carbonate and fluid inclusion data suggests that past temperatures at 9-10 thousand years ago (ka) and 26 ka were 3.4 ± 0.7 °C and 8.2 ± 2.4 °C colder than at present, respectively.

  7. A spectroscopic proton-exchange membrane fuel cell test setup allowing fluorescence x-ray absorption spectroscopy measurements during state-of-the-art cell tests

    NASA Astrophysics Data System (ADS)

    Petrova, Olga; Kulp, Christian; van den Berg, Maurits W. E.; Klementiev, Konstantin V.; Otto, Bruno; Otto, Horst; Lopez, Marco; Bron, Michael; Grünert, Wolfgang

    2011-04-01

    A test setup for membrane-electrode-assemblies (MEAs) of proton exchange membrane fuel cells which allows in situ fluorescence x-ray absorption spectroscopy studies of one electrode with safe exclusion of contributions from the counter electrode is described. Interference by the counter electrode is excluded by a geometry including a small angle of incidence (< 6°) between primary beam and electrode layer. The cell has been constructed by introducing just minor modifications to an electrochemical state-of-the-art MEA test setup, which ensures realistic electrochemical test conditions. This is at the expense of significant intensity losses in the path of the incident beam, which calls for the brilliance of third-generation synchrotrons to provide meaningful data. In measurements on Pt/C and Pt-Co/C cathodes combined with Pt-C anodes (H2/O2 feed), good data quality was demonstrated both for the majority element Pt as well as for Co despite of a low areal Co density in the order of 0.02 mg/cm2.

  8. [X-ray absorption spectroscopic evidence for the formation of Pb(II) inner-sphere adsorption complexes and precipitates at the alkaline soil-water interface].

    PubMed

    Hu, Ning-Jing; Luo, Yong-Ming; Huang, Peng; Hu, Tian-Dou; Xie, Ya-Ning; Wu, Zi-Yu; Shi, Xue-Fa

    2011-02-01

    Adsorption mechanisms of Pb on soil with high CaCO3 content were investigated by combined batch sorption and X-ray absorption fine structure (XAFS). Date from the batch equilibrium studies showed that Pb sorption was nonlinear and was well fitted to Langmiur isotherm. The XAFS data indicated that Pb could be adsorbed via the inner-sphere complex, the precipitation of calcium carbonate containing Pb (PbCaCO3), and outer-sphere Pb sorption complex. The formations of inner-sphere complexes and PbCaCO3 implied strong metal interactions with the surfaces the mechanistic reason for the affinity of Pb for CaCO3 as observed in macroscopic studies. At low metal concentration, 500 mg x L(-1) of initial Pb, radial distance of the first-shell Pb-O (R1) was 0.169 2 nm, however, at 1 000 mg x L(-1) of initial Pb, the R1 was 0.166 8 nm. These revealed that the percentage of inner-sphere complexes increased when the initial Pb was increased from 500 to 1 000 mg x L(-1). PMID:21510427

  9. A novel surface-sensitive X-ray absorption spectroscopic detector to study the thermal decomposition of cathode materials for Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Nonaka, Takamasa; Okuda, Chikaaki; Oka, Hideaki; Nishimura, Yusaku F.; Makimura, Yoshinari; Kondo, Yasuhito; Dohmae, Kazuhiko; Takeuchi, Yoji

    2016-09-01

    A surface-sensitive conversion-electron-yield X-ray absorption fine structure (CEY-XAFS) detector that operates at elevated temperatures is developed to investigate the thermal decomposition of cathode materials for Li-ion batteries. The detector enables measurements with the sample temperature controlled from room temperature up to 450 °C. The detector is applied to the LiNi0.75Co0.15Al0.05Mg0.05O2 cathode material at 0% state of charge (SOC) and 50% SOC to examine the chemical changes that occur during heating in the absence of an electrolyte. The combination of surface-sensitive CEY-XAFS and bulk-sensitive transmission-mode XAFS shows that the reduction of Ni and Co ions begins at the surface of the cathode particles at around 150 °C, and propagates inside the particle upon further heating. These changes with heating are irreversible and are more obvious at 50% SOC than at 0% SOC. The fraction of reduced Ni ions is larger than that of reduced Co ions. These results demonstrate the capability of the developed detector to obtain important information for the safe employment of this cathode material in Li-ion batteries.

  10. Use of radiocarbon and spectroscopic analyses to characterise soil organic matter pools isolated using different fractionation techniques.

    NASA Astrophysics Data System (ADS)

    Miller, Gemma; Cloy, Joanna; Garnett, Mark; Sohi, Saran; Rees, Robert; Griffiths, Bryan

    2015-04-01

    Experimental division of soil organic matter (SOM) into functional pools has the potential to improve soil C modelling. Soil physical fractionation techniques seek to quantify these pools, however the fractions isolated vary in number, size, ecological role and composition. The use of different techniques to quantify soil C fractions in different studies presents a question - do similar fractions isolated by different methods fit the same conceptual definition? This study examined a sandy loam from the south-west of Scotland, sampled in summer, which had been under grassland management for at least 20 years. We compared average 14C ages of SOM fractions isolated using three published and frequently applied physical fractionation methods (1) a density separation technique isolating three fractions - free light (FLF) < 1.8 cm 3, intra-aggregate light (IALF) < 1.8 cm-3 after aggregate disruption, and organo-mineral (O-min) > 1.8 g cm 3 (Sohi et al, 2001); (2) a combined physical and chemical separation isolating five fractions: sand and aggregates (S+A) > 63 µm and > 1.8 g cm-3, particulate organic matter (POM) > 63 µm and < 1.8 g cm 3, silt and clay (s+c) < 63 but > 45 µm, residual organic carbon (rSOC) the residue left after s+c is oxidised with NaOCl, and dissolved organic carbon (DOC) < 45 µm (Zimmermann et al, 2007); and (3) a hot water extraction method isolating two fractions: water soluble C (WSC) at 20 °C and hot water extractable C (HWEC) at 80 °C (Ghani et al, 2003). The fractions from Method 1 had the most distinct average 14C ages with O-min, FLF and IALF assessed as 206, 1965 and 6172 years before present (BP) respectively. The fractions from Method 2 fell into two age groups, < ~1000 years BP for s+c, rSOC and S+A and > 4000 years BP for DOC and POM. Both Method 3 fractions were dominated by modern C. The average 14C ages of FLF, IALF, DOC and POM were surprisingly higher than the mineral bound fractions, although they made up a relatively small

  11. Correcting for underlying absorption interferences in Fourier transform infrared trans analysis of edible oils using two-dimensional correlation techniques.

    PubMed

    van de Voort, F R; Sedman, J; Sherazi, S T H

    2008-03-12

    Substantive improvement in the sensitivity of the AOAC/AOCS spectral ratioing method for the determination of isolated trans isomers in edible oils was recently achieved by the application of a new spectral reconstitution (SR) technique that facilitates the FTIR analysis of edible oils in the transmission mode. However, the general applicability of the spectral ratioing method is still severely limited by the requirement to know the provenance of the oil to be analyzed and have on hand its trans-free counterpart so that the underlying triacylglycerol absorptions in the trans measurement region (990-945 cm(-1)), henceforth referred to as UAt , may be ratioed out. To eliminate the need for a trans-free reference oil, we have employed two-dimensional (2D) correlation spectroscopy to search for other spectral features that might correlate with and serve to estimate the UAt . The three-dimensional contour maps obtained by 2D correlation analysis of the spectra of 10 trans-free oils of different oil types, recorded using the SR procedure, revealed such correlations in two spectral regions, 1700-1600 and 4500-4300 cm(-1), exhibiting one maximum and two maxima, respectively, with wavenumber coordinates of (968, 4407), (968, 4299), and (968, 1650). The latter two correlations, when optimized, produced excellent linear regression relationships (r>0.95) with the UAt . The spectra of five sets of trielaidin-spiked oils were corrected for the UA t using these relationships, and their trans contents were predicted from the calibration equation generated for the spectral ratioing procedure. Linear regression of predicted versus added trans over the range of 0-1.6% trans, which is below the limit of quantitation of the AOAC/AOCS spectral ratioing method, yielded r=0.88-0.90 with an SD of approximately 0.2% trans. These results indicate that the combination of the SR technique with the UA t correction approach may provide a simple and accurate FTIR method for the analysis of the

  12. Study on the interaction of the epilepsy drug, zonisamide with human serum albumin (HSA) by spectroscopic and molecular docking techniques

    NASA Astrophysics Data System (ADS)

    Shahabadi, Nahid; Khorshidi, Aref; Moghadam, Neda Hossinpour

    2013-10-01

    In the present investigation, an attempt has been made to study the interaction of zonisamide (ZNS) with the transport protein, human serum albumin (HSA) employing UV-Vis, fluorometric, circular dichroism (CD) and molecular docking techniques. The results indicated that binding of ZNS to HSA caused strong fluorescence quenching of HSA through static quenching mechanism, hydrogen bonds and van der Waals contacts are the major forces in the stability of protein ZNS complex and the process of the binding of ZNS with HSA was driven by enthalpy (ΔH = -193.442 kJ mol-1). The results of CD and UV-Vis spectroscopy showed that the binding of this drug to HSA induced conformational changes in HSA. Furthermore, the study of molecular docking also indicated that zonisamide could strongly bind to the site I (subdomain IIA) of HSA mainly by hydrophobic interaction and there were hydrogen bond interactions between this drug and HSA, also known as the warfarin binding site.

  13. X-ray spectroscopic technique for energetic electron transport studies in short-pulse laser/plasma interactions

    SciTech Connect

    Tutt, T.E.

    1994-12-01

    When a solid target is irradiated by a laser beam, the material is locally heated to a high temperature and a plasma forms. The interaction of the laser with plasma can produce energetic electrons. By observing the behavior of these {open_quotes}hot{close_quotes} electrons, we hope to obtain a better understanding of Laser/Plasma Interactions. In this work we employ a layered-fluorescer technique to study the transport, and therefore the energetics, of the electrons. The plasma forms on a thin foil of metallic Pd which is bonded to thin layer of metallic Sn. Electrons formed from the plasma penetrate first the Pd and then the Sn. In both layers the energetic electrons promote inner (K) shell ionization of the metallic atoms which leads to the emission of characteristic K{sub {alpha}} x-rays of the fluorescers. By recording the x-ray spectrum emitted by the two foils, we can estimate the energy-dependent range of the electrons and their numbers.

  14. X-ray absorption and photoelectron spectroscopic study of the association of As(III) with nanoparticulate FeS and FeS-coated sand.

    PubMed

    Han, Young-Soo; Jeong, Hoon Y; Demond, Avery H; Hayes, Kim F

    2011-11-01

    Iron sulfide (FeS) has been demonstrated to have a high removal capacity for arsenic (As) in reducing environments. However, FeS may be present as a coating, rather than in nanoparticulate form, in both natural and engineered systems. Frequently, the removal capacity of coatings may be different than that of nanoparticulates in batch systems. To assess the differences in removal mechanisms between nanoparticulate FeS and FeS present as a coating, the solid phase products from the reaction of As(III) with FeS-coated sand and with suspensions of nanoparticulate (NP) FeS were determined using x-ray absorption spectroscopy and x-ray photoelectron spectroscopy. In reaction with NP FeS at pH 5, As(III) was reduced to As(II) to form realgar (AsS), while at pH 9, As(III) adsorbed as an As(III) thioarsenite species. In contrast, in the FeS-coated sand system, As(III) formed the solid phase orpiment (As(2)S(3)) at pH 5, but adsorbed as an As(III) arsenite species at pH 9. These different solid reaction products are attributed to differences in FeS concentration and the resultant redox (pe) differences in the FeS-coated sand system versus suspensions of NP FeS. These results point to the importance of accounting for differences in concentration and redox when making inferences for coatings based on batch suspension studies.

  15. Constraining the N2O5 UV absorption cross-section from spectroscopic trace gas measurements in the tropical mid-stratosphere

    NASA Astrophysics Data System (ADS)

    Kritten, L.; Butz, A.; Chipperfield, M. P.; Dorf, M.; Dhomse, S.; Hossaini, R.; Oelhaf, H.; Prados-Roman, C.; Wetzel, G.; Pfeilsticker, K.

    2014-02-01

    The absorption cross-section of N2O5, σN2O5(λ, T), which is known from laboratory measurements with the uncertainty of a factor of 2 (Table 4-2 in JPL-2011, Sander et al., 2011), was investigated by balloon-borne observations of the relevant trace gases in the tropical mid-stratosphere. The method relies on the observation of the diurnal variation of NO2 supported by detailed photochemical modelling of NOy (NOx(= NO + NO2) + NO3 + 2N2O5 + ClONO2 + HO2NO2 +BrONO2 + HNO3) photochemistry. Simulations are initialised with O3 measured by direct sun observations, the NOy partitioning from MIPAS-B (Michelson Interferometer for Passive Atmospheric Sounding-Balloon) observations in similar air masses at nighttime, and all other relevant species from simulations of the SLIMCAT chemical transport model (CTM). Best agreement between the simulated and observed diurnal increase of NO2 is found if the σN2O5(λ, T) is scaled by a factor of 1.6 ± 0.8 in the UV-C (200-260 nm) and by a factor of 0.9 ± 0.26 in the UV-B/A (260-350 nm), compared to current recommendations. In consequence, at 30 km altitude, the N2O5 lifetime against photolysis becomes a factor of 0.77 shorter at solar zenith angle (SZA) of 30° than using the recommended σN2O5 (λ, T), and stays more or less constant at SZAs of 60°. Our scaled N2O5 photolysis frequency slightly reduces the lifetime (0.2-0.6%) of ozone in the tropical mid- and upper stratosphere, but not to an extent to be important for global ozone.

  16. Spectroscopic analysis of small organic molecules: A comprehensive near-edge x-ray-absorption fine-structure study of C{sub 6}-ring-containing molecules

    SciTech Connect

    Kolczewski, C.; Puettner, R.; Martins, M.; Schlachter, A.S.; Snell, G.; Sant'Anna, M.M.; Hermann, K.; Kaindl, G.

    2006-01-21

    We report high-resolution C 1s near-edge x-ray-absorption fine-structure (NEXAFS) spectra of the C{sub 6}-ring-containing molecules benzene (C{sub 6}H{sub 6}), 1,3- and 1,4-cyclohexadiene (C{sub 6}H{sub 8}), cyclohexene (C{sub 6}H{sub 10}), cyclohexane (C{sub 6}H{sub 12}), styrene (C{sub 8}H{sub 8}), and ethylbenzene (C{sub 8}H{sub 10}) which allow us to examine the gradual development of delocalization of the corresponding {pi} electron systems. Due to the high experimental resolution, vibrational progressions can be partly resolved in the spectra. The experimental spectra are compared with theoretical NEXAFS spectra obtained from density-functional theory calculations where electronic final-state relaxation is accounted for. The comparison yields very good agreement between theoretical spectra and experimental results. In all cases, the spectra can be described by excitations to {pi}*- and {sigma}*-type final-state orbitals with valence character, while final-state orbitals of Rydberg character make only minor contributions. The lowest C 1s{yields}1{pi}* excitation energy is found to agree in the (experimental and theoretical) spectra of all molecules except for 1,3-cyclohexadiene (C{sub 6}H{sub 8}) where an energy smaller by about 0.6 eV is obtained. The theoretical analysis can explain this result by different binding properties of this molecule compared to the others.

  17. Nuclear magnetic resonance and optical absorption spectroscopic studies on paramagnetic praseodymium(III) complexes with beta-diketone and heterocyclic amines.

    PubMed

    Ansari, A A; Ahmed, Zubair; Iftikhar, K

    2007-09-01

    The optical absorption spectra of [Pr(acac)(3)(H(2)O)(2)].H(2)O, [Pr(acac)(3)phen.H(2)O] and [Pr(acac)(3)bpy] (where acac is the anion of acetylacetone, phen is 1,10-phenanthroline and bpy is 2,2'-bipyridyl) have been analyzed in the visible region in a series of non-aqueous solvents (methanol, ethanol, isopropanol, chloroform, acetonitrile and pyridine). The complexes display four non-hypersensitive 4f-4f transitions ((3)P(2), (3)P(1)+(1)I(6), (3)P(0) and (1)D(2)) from the (3)H(4) ground state. The band shape of the transitions shows remarkable changes upon dissolving in different solvents. Distinctively different band shapes have been observed for phen and bpy complexes. The phen is more effective in producing changes and the splitting of the bands is more pronounced in phen complex since it is a stronger ligand and leads to stronger Pr-N(phen) bond. The splitting of the bands is indicative of partaking of f-orbitals in bonding. The NMR signals of heterocyclic amines have been shifted to high fields while the resonances due to acetylacetone moiety have moved to low fields which is the consequence of change in geometry of the complexes upon coordination of the heterocyclic amines and reflects the importance of geometric factor (3cos(2)theta-1) in changing sign of the shift and to a good approximation the shifts arise predominantly from the dipolar mechanism. The phen complexes have narrower line width than bpy complexes. The line broadening in the case of bpy complexes is suggestive of exchange between inter-converting forms. The bpy possesses some degree of rotational freedom about C(6)-C(6') bond and the two pyridine rings undergo scissoring motion with respect to each other.

  18. Segmental extracellular and intracellular water distribution and muscle glycogen after 72-h carbohydrate loading using spectroscopic techniques.

    PubMed

    Shiose, Keisuke; Yamada, Yosuke; Motonaga, Keiko; Sagayama, Hiroyuki; Higaki, Yasuki; Tanaka, Hiroaki; Takahashi, Hideyuki

    2016-07-01

    Body water content increases during carbohydrate loading because 2.7-4-g water binds each 1 g of glycogen. Bioelectrical impedance spectroscopy (BIS) allows separate assessment of extracellular and intracellular water (ECW and ICW, respectively) in the whole body and each body segment. However, BIS has not been shown to detect changes in body water induced by carbohydrate loading. Here, we aimed to investigate whether BIS had sufficient sensitivity to detect changes in body water content and to determine segmental water distribution after carbohydrate loading. Eight subjects consumed a high-carbohydrate diet containing 12 g carbohydrates·kg body mass(-1)·day(-1) for 72 h after glycogen depletion cycling exercise. Changes in muscle glycogen concentration were measured by (13)C-magnetic resonance spectroscopy, and total body water (TBW) was measured by the deuterium dilution technique (TBWD2O). ICW and ECW in the whole body (wrist-to-ankle) and in each body segment (arm, trunk, and leg) were assessed by BIS. Muscle glycogen concentration [72.7 ± 10.0 (SD) to 169.4 ± 55.9 mmol/kg wet wt, P < 0.001] and TBWD2O (39.3 ± 3.2 to 40.2 ± 3.0 kg, P < 0.05) increased significantly 72 h after exercise compared with baseline, respectively. Whole-body BIS showed significant increases in ICW (P < 0.05), but not in ECW. Segmental BIS showed significant increases in ICW in the legs (P < 0.05), but not in the arms or trunk. Our results suggest that increase in body water after carbohydrate loading can be detected by BIS and is caused by segment-specific increases in ICW. PMID:27231310

  19. Studying Iron Mineralogy to Understand Redox Conditions in the Mesoproterozoic Belt Basin, USA Using Complementary Microscopic, Spectroscopic, and Magnetic Techniques

    NASA Astrophysics Data System (ADS)

    Slotznick, S. P.; Webb, S.; Kirschvink, J. L.; Fischer, W. W.

    2015-12-01

    Observations of iron chemistry and mineralogy over time provide a valuable tool for studying paleoenvironments, but questions still remain as to the redox character of Proterozoic basins after the rise of oxygen. To evaluate the mechanisms of iron mineralization in Proterozoic samples, we developed an approach that pairs the microscale textural techniques of light microscopy, magnetic scanning microscopy, and (synchrotron-based) microprobe x-ray spectroscopy with sensitive bulk rock magnetic experiments. Samples were collected from stratigraphic sections across the ~1.4 Ga lower Belt Group, Belt Supergroup, MT and ID, USA with a focus on excellently preserved sedimentary rocks, but also including those altered by a variety of diagenetic, metamorphic, and metasomatic events. Results show that even in the best-preserved parts of the Belt Basin, late diagenetic and/or metasomatic fluids affected (in some cases very mildly) the primary iron phases as evidenced by prevalent post-depositional alterations such as rare base metal sulfides. In more heavily altered rocks, the appearance of pyrrhotite and other minerals signaled transformations in iron mineralogy through metamorphism and metasomatism. Despite these secondary phases crystallizing in an open fluid-rich system, primary records of redox chemistry were preserved in the recrystallized early diagenetic framboidal pyrite and (sub)micron-sized detrital magnetite grains. Detrital magnetite is not the most abundant iron-bearing phase in any of the samples (typically <0.01 wt%), but is widely observed in both proximal and deeper basin facies, illustrating an important detrital flux of iron to the basin and a highly reactive iron source for early diagenetic pyrite. Based on our analyses, we interpret the shallow waters of the Belt Basin to be oxic with sulfidic pore fluids and deeper waters in parts of the basin as likely euxinic, consistent with the results of some bulk geochemical proxies. This redox reconstruction also

  20. A tomographic technique for the simultaneous imaging of temperature, chemical species, and pressure in reactive flows using absorption spectroscopy with frequency-agile lasers

    SciTech Connect

    Cai, Weiwei; Kaminski, Clemens F.

    2014-01-20

    This paper proposes a technique that can simultaneously retrieve distributions of temperature, concentration of chemical species, and pressure based on broad bandwidth, frequency-agile tomographic absorption spectroscopy. The technique holds particular promise for the study of dynamic combusting flows. A proof-of-concept numerical demonstration is presented, using representative phantoms to model conditions typically prevailing in near-atmospheric or high pressure flames. The simulations reveal both the feasibility of the proposed technique and its robustness. Our calculations indicate precisions of ∼70 K at flame temperatures and ∼0.05 bars at high pressure from reconstructions featuring as much as 5% Gaussian noise in the projections.

  1. Use of spectroscopic and imaging techniques to evaluate pretreated sugarcane bagasse as a substrate for cellulase production under solid-state fermentation.

    PubMed

    Rodríguez-Zúñiga, Ursula Fabiola; Bertucci Neto, Victor; Couri, Sonia; Crestana, Silvio; Farinas, Cristiane Sanchez

    2014-03-01

    The enzymatic cocktail of cellulases is one of the most costly inputs affecting the economic viability of the biochemical route for biomass conversion into biofuels and other chemicals. Here, the influence of liquid hot water, dilute acid, alkali, and combined acid/alkali pretreatments on sugarcane bagasse (SCB) used for cellulase production was investigated by means of spectroscopic and imaging techniques. Chemical composition and structural characteristics, such as crystallinity (determined by X-ray diffraction), functional groups (Fourier transform infrared spectroscopy), and microstructure (scanning electron microscopy), were used to correlate SCB pretreatments with enzymatic biosynthesis by a strain of the filamentous fungus Aspergillus niger under solid-state fermentation. The combined acid/alkali pretreatment resulted in a SCB with higher cellulose content (86.7%). However, the high crystallinity (74%) of the resulting biomass was detrimental to microbial uptake and enzyme production. SCB pretreated with liquid hot water yielded the highest filter paper cellulase (FPase), carboxymethyl cellulase (CMCase), and xylanase activities (0.4, 14.9, and 26.1 U g(-1), respectively). The results showed that a suitable pretreatment for SCB to be used as a substrate for cellulase production should avoid severe conditions in order to preserve amorphous cellulose and to enhance the physical properties that assist microbial access. PMID:24363237

  2. Structure and spectroscopic analysis of the graphene monolayer film directly grown on the quartz substrate via the HF-CVD technique

    NASA Astrophysics Data System (ADS)

    Mahmoud, Waleed E.; Al-Hazmi, Farag S.; Al-Ghamdi, A. A.; Shokr, F. S.; Beall, Gary W.; Bronstein, Lyudmila M.

    2016-08-01

    Direct growth of a monolayer graphene film on a quartz substrate by a hot filament chemical vapor deposition technique is reported. The monolayer graphene film prepared was characterized by Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), selected area electron diffraction (SAED), and atomic force microscopy (AFM). The optical properties were studied by spectroscopic elliposmetry. The experimental data were fitted by the Forouhi-Bloomer model to estimate the extinction coefficient and the refractive index of the monolayer graphene film. The refractive index spectrum in the visible region was studied based on the harmonic oscillator model. The lattice dielectric constant, real and imaginary dielectric constants and the ratio of the charge carrier number to the effective mass were determined. The surface and volume energy loss parameters were also found and showed that the value of the surface energy loss is greater than the volume energy loss. The determination of these optical constants will open new avenue for novel applications of graphene films in the field of wave plates, light modulators, ultrahigh-frequency signal processing and LCDs.

  3. Reactivity-activity relationships of oral anti-diabetic vanadium complexes in gastrointestinal media: an X-ray absorption spectroscopic study.

    PubMed

    Levina, Aviva; McLeod, Andrew I; Kremer, Lauren E; Aitken, Jade B; Glover, Christopher J; Johannessen, Bernt; Lay, Peter A

    2014-10-01

    The reactions of oral V(V/IV) anti-diabetic drugs within the gastrointestinal environment (particularly in the presence of food) are a crucial factor that affects their biological activities, but to date these have been poorly understood. In order to build up reactivity-activity relationships, the first detailed study of the reactivities of typical V-based anti-diabetics, Na3V(V)O4 (A), [V(IV)O(OH2)5](SO4) (B), [V(IV)O(ma)2] (C, ma = maltolato(-)) and (NH4)[V(V)(O)2(dipic)] (D, dipic = pyridine-2,5-dicarboxylato(2-)) with simulated gastrointestinal (GI) media in the presence or absence of food components has been performed by the use of XANES (X-ray absorption near edge structure) spectroscopy. Changes in speciation under conditions that simulate interactions in the GI tract have been discerned using correlations of XANES parameters that were based on a library of model V(V), V(IV), and V(III) complexes for preliminary assessment of the oxidation states and coordination numbers. More detailed speciation analyses were performed using multiple linear regression fits of XANES from the model complexes to XANES obtained from the reaction products from interactions with the GI media. Compounds B and D were relatively stable in the gastric environment (pH ∼ 2) in the absence of food, while C was mostly dissociated, and A was converted to [V10O28](6-). Sequential gastric and intestinal digestion in the absence of food converted A, B and D to poorly absorbed tetrahedral vanadates, while C formed five- or six-coordinate V(V) species where the maltolato ligands were likely to be partially retained. XANES obtained from gastric digestion of A-D in the presence of typical food components converged to that of a mixture of V(IV)-aqua, V(IV)-amino acid and V(III)-aqua complexes. Subsequent intestinal digestion led predominantly to V(IV) complexes that were assigned as citrato or complexes with 2-hydroxyacidato donor groups from other organic compounds, including certain

  4. Reactivity-activity relationships of oral anti-diabetic vanadium complexes in gastrointestinal media: an X-ray absorption spectroscopic study.

    PubMed

    Levina, Aviva; McLeod, Andrew I; Kremer, Lauren E; Aitken, Jade B; Glover, Christopher J; Johannessen, Bernt; Lay, Peter A

    2014-10-01

    The reactions of oral V(V/IV) anti-diabetic drugs within the gastrointestinal environment (particularly in the presence of food) are a crucial factor that affects their biological activities, but to date these have been poorly understood. In order to build up reactivity-activity relationships, the first detailed study of the reactivities of typical V-based anti-diabetics, Na3V(V)O4 (A), [V(IV)O(OH2)5](SO4) (B), [V(IV)O(ma)2] (C, ma = maltolato(-)) and (NH4)[V(V)(O)2(dipic)] (D, dipic = pyridine-2,5-dicarboxylato(2-)) with simulated gastrointestinal (GI) media in the presence or absence of food components has been performed by the use of XANES (X-ray absorption near edge structure) spectroscopy. Changes in speciation under conditions that simulate interactions in the GI tract have been discerned using correlations of XANES parameters that were based on a library of model V(V), V(IV), and V(III) complexes for preliminary assessment of the oxidation states and coordination numbers. More detailed speciation analyses were performed using multiple linear regression fits of XANES from the model complexes to XANES obtained from the reaction products from interactions with the GI media. Compounds B and D were relatively stable in the gastric environment (pH ∼ 2) in the absence of food, while C was mostly dissociated, and A was converted to [V10O28](6-). Sequential gastric and intestinal digestion in the absence of food converted A, B and D to poorly absorbed tetrahedral vanadates, while C formed five- or six-coordinate V(V) species where the maltolato ligands were likely to be partially retained. XANES obtained from gastric digestion of A-D in the presence of typical food components converged to that of a mixture of V(IV)-aqua, V(IV)-amino acid and V(III)-aqua complexes. Subsequent intestinal digestion led predominantly to V(IV) complexes that were assigned as citrato or complexes with 2-hydroxyacidato donor groups from other organic compounds, including certain

  5. In vitro studies on the behavior of salmeterol xinafoate and its interaction with calf thymus DNA by multi-spectroscopic techniques

    NASA Astrophysics Data System (ADS)

    Zhao, Tingting; Bi, Shuyun; Wang, Yu; Wang, Tianjiao; Pang, Bo; Gu, Tingting

    2014-11-01

    The salmeterol xinafoate (SX) binding to calf thymus DNA in vitro was explored by fluorescence, resonance light scattering (RLS), UV-vis absorption, as well as viscometry, ionic strength effect and DNA melting techniques. It was found that SX could bind to DNA weakly, and the binding constants (Ka) were determined as 8.52 × 103, 8.31 × 103 and 6.14 × 103 L mol-1 at 18, 28 and 38 °C respectively. When bound to DNA, SX showed fluorescence quenching in the fluorescence spectra and hyperchromic effect in the absorption spectra. Stern-Volmer plots revealed that the quenching of fluorescence of SX by DNA was a static quenching. Furthermore, the relative viscosity and melting temperature of DNA solution were hardly influenced by SX, while the fluorescence intensity of SX-DNA was observed to decrease with the increasing ionic strength of system. Also, the binding constant between SX and double stranded DNA (dsDNA) was much weaker than that between SX and single stranded DNA (ssDNA). All these results suggested that the binding mode of SX to DNA should be groove binding. The obtained thermodynamic parameters indicated that electrostatic force might play a predominant role in SX binding to DNA. The quantum yield (φ) of SX was measured as 0.13 using comparative method. Based on the Förster resonance energy transfer theory (FRET), the binding distance (r0) between the acceptor and donor was calculated as 4.10 nm.

  6. Excitonic emission and absorption resonances in V0.25W0.75Se2 single crystals grown by direct vapour transport technique

    NASA Astrophysics Data System (ADS)

    Solanki, G. K.; Pataniya, Pratik; Sumesh, C. K.; Patel, K. D.; Pathak, V. M.

    2016-05-01

    A systematic study on emission and absorption spectra of vanadium mixed tungsten diselenide single crystals grown by direct vapour transport (DVT) technique is reported. The grown crystals were characterized by energy dispersive analysis of X-ray (EDAX), which gives the confirmation about the stoichiometry. The structural characterizations were accomplished by X-ray diffraction (XRD), surface morphology and transmission electron microscopy (TEM). These characterizations were indicating the growth of V0.25W0.75Se2 single crystal from vapour phase. The optical response of this material has been observed by combination of UV-vis-NIR spectroscopy and photo luminescence (PL) spectroscopy. A detailed study of excitonic emission and absorption resonances was carried out on grown crystals. The energy band gap was calculated for indirect allowed transition with absorbed and emitted phonon. Additionally, absorption tail for grown crystal is found to obey the Urbach's rule.

  7. Spectroscopic Low Coherence Interferometry

    NASA Astrophysics Data System (ADS)

    Bosschaart, Nienke; van Leeuwen, T. G.; Aalders, Maurice C.; Hermann, Boris; Drexler, Wolfgang; Faber, Dirk J.

    Low-coherence interferometry (LCI) allows high-resolution volumetric imaging of tissue morphology and provides localized optical properties that can be related to the physiological status of tissue. This chapter discusses the combination of spatial and spectroscopic information by means of spectroscopic OCT (sOCT) and low-coherence spectroscopy (LCS). We describe the theory behind these modalities for the assessment of spatially resolved optical absorption and (back)scattering coefficient spectra. These spectra can be used for the highly localized quantification of chromophore concentrations and assessment of tissue organization on (sub)cellular scales. This leads to a wealth of potential clinical applications, ranging from neonatology for the determination of billibrubin concentrations, to oncology for the optical assessment of the aggressiveness of a cancerous lesion.

  8. Studying the local structures of novel materials using the Extended X-ray Absorption Fine Structure technique

    NASA Astrophysics Data System (ADS)

    Jiang, Yu

    2009-12-01

    In this dissertation, investigations on the local lattice structures for a variety of novel materials using Extended X-ray Absorption Fine Structure (EXAFS) technique are presented. Different experiment schemes were applied to obtain EXAFS data with high quality, and some interesting results were obtained by careful analysis. The power of the EXAFS technique was once again proved. In Chapter 1, I first briefly introduce the EXAFS theory and experiments, then give readers who are not familiar with this technique a short introduction on data reduction and analysis, and finally discuss some problems that are easily ignored in the interpretation of the experiment results. In Chapter 2, a temperature-dependent EXAFS investigation of La 1-xCaxMnO 3 is presented for the concentration range that spans the ferromagnetic-insulator (FMI) to ferromagnetic-metal (FMM) transition region, x = 0.16, 0.18, 0.20, and 0.22; the titrated hole concentrations are slightly higher y = 0.2, 0.22, 0.24, and 0.25 respectively. In Chapter 3, I report EXAFS studies of n- and p-type Ba8Ga 16Ge30 samples (type I clathrate) at the Ga, Ge, and Ba K-edges, to probe the local structure, particularly around the Ba atoms located inside 20- and 24-atom cages (Ba1 and Ba2 sites respectively) formed of Ga/Ge atoms. In agreement with diffraction analysis we find Ba2 is off-center, with a component in the bc plane (0.15 A) comparable to that found in diffraction; however, under the assumption of a stiff cage we also require a significant a component. This suggests a coupling or attraction between the Ba2 atoms and the hexagonal rings at the top or bottom of the cage that encloses the Ba2 site. In Chapter 4, I report detailed degradation and rejuvenation studies for AC electro-luminescence (EL) devices made using the phosphor ZnS:Cu,CI. We find that the AC EL emission spectra vary considerably with AC driving frequency but all spectra can be fit to a sum of four Gaussians. The combined experiments place

  9. Understanding of sub-band gap absorption of femtosecond-laser sulfur hyperdoped silicon using synchrotron-based techniques

    PubMed Central

    Limaye, Mukta V.; Chen, S. C.; Lee, C. Y.; Chen, L. Y.; Singh, Shashi B.; Shao, Y. C.; Wang, Y. F.; Hsieh, S. H.; Hsueh, H. C.; Chiou, J. W.; Chen, C. H.; Jang, L. Y.; Cheng, C. L.; Pong, W. F.; Hu, Y. F.

    2015-01-01

    The correlation between sub-band gap absorption and the chemical states and electronic and atomic structures of S-hyperdoped Si have been extensively studied, using synchrotron-based x-ray photoelectron spectroscopy (XPS), x-ray absorption near-edge spectroscopy (XANES), extended x-ray absorption fine structure (EXAFS), valence-band photoemission spectroscopy (VB-PES) and first-principles calculation. S 2p XPS spectra reveal that the S-hyperdoped Si with the greatest (~87%) sub-band gap absorption contains the highest concentration of S2− (monosulfide) species. Annealing S-hyperdoped Si reduces the sub-band gap absorptance and the concentration of S2− species, but significantly increases the concentration of larger S clusters [polysulfides (Sn2−, n > 2)]. The Si K-edge XANES spectra show that S hyperdoping in Si increases (decreased) the occupied (unoccupied) electronic density of states at/above the conduction-band-minimum. VB-PES spectra evidently reveal that the S-dopants not only form an impurity band deep within the band gap, giving rise to the sub-band gap absorption, but also cause the insulator-to-metal transition in S-hyperdoped Si samples. Based on the experimental results and the calculations by density functional theory, the chemical state of the S species and the formation of the S-dopant states in the band gap of Si are critical in determining the sub-band gap absorptance of hyperdoped Si samples. PMID:26098075

  10. Excitation induced spectroscopic study and quenching effect in cerium samarium codoped lithium aluminoborate glasses

    NASA Astrophysics Data System (ADS)

    Kaur, Parvinder; Kaur, Simranpreet; Singh, Gurinder Pal; Arora, Deepawali; Kumar, Sunil; Singh, D. P.

    2016-08-01

    Lithium aluminium borate host has been codoped with cerium and samarium to prepare glass by conventional melt quench technique. Their structural and spectroscopic investigation has been carried out using XRD, FTIR and density measurements. The UV-Vis absorption spectra and fluorescence spectra (λexc.=380 nm and 400 nm) have been studied for spectroscopic analysis. The amorphous nature of the prepared samples is shown by XRD. The density is increasing with addition of cerium at the expense of aluminium, keeping other components constant. FTIR study also shows the presence of compact and stable tetrahedral BO4 units thus supporting the density results. The UV- Vis absorption spectra show a shift of optical absorption edge towards longer wavelength along with an increase in intensity of peaks with rising samarium concentration. The fluorescence spectra show a blue shift and subsequent suppression of cerium peaks with addition of samarium.

  11. Near-infrared spectroscopic photoacoustic microscopy using a multi-color fiber laser source

    PubMed Central

    Buma, Takashi; Wilkinson, Benjamin C.; Sheehan, Timothy C.

    2015-01-01

    We demonstrate a simple multi-wavelength optical source suitable for spectroscopic optical resolution photoacoustic microscopy (OR-PAM) of lipid-rich tissue. 1064 nm laser pulses are converted to multiple wavelengths beyond 1300 nm via nonlinear optical propagation in a birefringent optical fiber. OR-PAM experiments with lipid phantoms clearly show the expected absorption peak near 1210 nm. We believe this simple multi-color technique is a promising cost-effective approach to spectroscopic OR-PAM of lipid-rich tissue. PMID:26309746

  12. Recording of absorption spectra by a three-beam integral technique with a tunable laser and external cavity

    SciTech Connect

    Korolenko, P V; Nikolaev, I V; Ochkin, V N; Tskhai, S N

    2014-04-28

    An integral method is considered for recording absorption using three laser beams transmitted through and reflected from an external cavity with the absorbing medium (R-ICOS). The method is the elaboration of a known single-beam ICOS method and allows suppression of the influence of radiation phase fluctuations in the resonator on recording weak absorption spectra. First of all, this reduces high-frequency instabilities and gives a possibility to record spectra during short time intervals. In this method, mirrors of the resonator may have moderate reflection coefficients. Capabilities of the method have been demonstrated by the examples of weak absorption spectra of atmospheric methane and natural gas in a spectral range around 1650 nm. With the mirrors having the reflection coefficients of 0.8–0.99, a spectrum can be recorded for 320 μs with the accuracy sufficient for detecting a background concentration of methane in atmosphere. For the acquisition time of 20 s, the absorption coefficients of ∼2×10{sup -8} cm{sup -1} can be measured, which corresponds to a 40 times less molecule concentration than the background value. (laser spectroscopy)

  13. In vitro studies on the behavior of salmeterol xinafoate and its interaction with calf thymus DNA by multi-spectroscopic techniques.

    PubMed

    Zhao, Tingting; Bi, Shuyun; Wang, Yu; Wang, Tianjiao; Pang, Bo; Gu, Tingting

    2014-11-11

    The salmeterol xinafoate (SX) binding to calf thymus DNA in vitro was explored by fluorescence, resonance light scattering (RLS), UV-vis absorption, as well as viscometry, ionic strength effect and DNA melting techniques. It was found that SX could bind to DNA weakly, and the binding constants (Ka) were determined as 8.52×10(3), 8.31×10(3) and 6.14×10(3) L mol(-1) at 18, 28 and 38°C respectively. When bound to DNA, SX showed fluorescence quenching in the fluorescence spectra and hyperchromic effect in the absorption spectra. Stern-Volmer plots revealed that the quenching of fluorescence of SX by DNA was a static quenching. Furthermore, the relative viscosity and melting temperature of DNA solution were hardly influenced by SX, while the fluorescence intensity of SX-DNA was observed to decrease with the increasing ionic strength of system. Also, the binding constant between SX and double stranded DNA (dsDNA) was much weaker than that between SX and single stranded DNA (ssDNA). All these results suggested that the binding mode of SX to DNA should be groove binding. The obtained thermodynamic parameters indicated that electrostatic force might play a predominant role in SX binding to DNA. The quantum yield (φ) of SX was measured as 0.13 using comparative method. Based on the Förster resonance energy transfer theory (FRET), the binding distance (r0) between the acceptor and donor was calculated as 4.10 nm.

  14. X-ray Absorption and Emission Spectroscopic Studies of [L2Fe2S2](n) Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron-Sulfur Clusters.

    PubMed

    Kowalska, Joanna K; Hahn, Anselm W; Albers, Antonia; Schiewer, Christine E; Bjornsson, Ragnar; Lima, Frederico A; Meyer, Franc; DeBeer, Serena

    2016-05-01

    Herein, a systematic study of [L2Fe2S2](n) model complexes (where L = bis(benzimidazolato) and n = 2-, 3-, 4-) has been carried out using iron and sulfur K-edge X-ray absorption (XAS) and iron Kβ and valence-to-core X-ray emission spectroscopies (XES). These data are used as a test set to evaluate the relative strengths and weaknesses of X-ray core level spectroscopies in assessing redox changes in iron-sulfur clusters. The results are correlated to density functional theory (DFT) calculations of the spectra in order to further support the quantitative information that can be extracted from the experimental data. It is demonstrated that due to canceling effects of covalency and spin state, the information that can be extracted from Fe Kβ XES mainlines is limited. However, a careful analysis of the Fe K-edge XAS data shows that localized valence vs delocalized valence species may be differentiated on the basis of the pre-edge and K-edge energies. These findings are then applied to existing literature Fe K-edge XAS data on the iron protein, P-cluster, and FeMoco sites of nitrogenase. The ability to assess the extent of delocalization in the iron protein vs the P-cluster is highlighted. In addition, possible charge states for FeMoco on the basis of Fe K-edge XAS data are discussed. This study provides an important reference for future X-ray spectroscopic studies of iron-sulfur clusters.

  15. Spectroscopic studies of copper doped alkaline earth lead zinc phosphate glasses

    NASA Astrophysics Data System (ADS)

    Sastry, S. Sreehari; Rao, B. Rupa Venkateswara

    2014-02-01

    In this paper spectroscopic investigation of Cu2+ doped alkaline earth lead zinc phosphate glasses was done through the spectroscopic techniques like X-ray diffraction, Ultra Violet (UV) absorption Spectroscopy, Electron Paramagnetic Resonance (EPR - X band), Fourier Transform Infra Red (FTIR) and Raman Spectroscopy. Alkaline earth lead zinc phosphate glasses containing 0.1% copper oxide (CuO) were prepared by the melt quenching technique. Spectroscopic studies indicated that there is a greater possibility for the copper ions to exist in Cu2+ state in these glasses. The optical absorption spectra indicated that the absorption peak of Cu2+ is a function of composition. The maxima absorption peak was reported at 862 nm for strontium lead zinc phosphate glass. Bonding parameters were calculated for the optical and EPR data. All these spectral results indicated clearly that there are certain structural changes in the present glass system with different alkaline earth contents. The IR and Raman spectra noticed the breaking of the P-O-P bonds and creating more number of new P-O-Cu bonds.

  16. Masked-backlighter technique used to simultaneously image x-ray absorption and x-ray emission from an inertial confinement fusion plasma

    SciTech Connect

    Marshall, F. J. Radha, P. B.

    2014-11-15

    A method to simultaneously image both the absorption and the self-emission of an imploding inertial confinement fusion plasma has been demonstrated on the OMEGA Laser System. The technique involves the use of a high-Z backlighter, half of which is covered with a low-Z material, and a high-speed x-ray framing camera aligned to capture images backlit by this masked backlighter. Two strips of the four-strip framing camera record images backlit by the high-Z portion of the backlighter, while the other two strips record images aligned with the low-Z portion of the backlighter. The emission from the low-Z material is effectively eliminated by a high-Z filter positioned in front of the framing camera, limiting the detected backlighter emission to that of the principal emission line of the high-Z material. As a result, half of the images are of self-emission from the plasma and the other half are of self-emission plus the backlighter. The advantage of this technique is that the self-emission simultaneous with backlighter absorption is independently measured from a nearby direction. The absorption occurs only in the high-Z backlit frames and is either spatially separated from the emission or the self-emission is suppressed by filtering, or by using a backlighter much brighter than the self-emission, or by subtraction. The masked-backlighter technique has been used on the OMEGA Laser System to simultaneously measure the emission profiles and the absorption profiles of polar-driven implosions.

  17. Spectroscopic studies on the interaction of cysteine capped CuS nanoparticles with tyrosine

    SciTech Connect

    Prasanth, S.; Raj, D. Rithesh; Kumar, T. V. Vineesh; Sudarsanakumar, C.

    2015-06-24

    Biocompatible cysteine coated CuS nanoparticles were synthesized by a simple aqueous solution method. Hexagonal phase of the samples were confirmed from X-ray diffraction and particle size found to be 9 nm. The possible interaction between the bioactive cysteine capped CuS nanoparticles and tyrosine were investigated using spectroscopic techniques such as UV-Visible absorption and fluorescence spectroscopy. It is observed that the luminescence intensity of tyrosine molecule enhanced by the addition CuS nanoparticles.

  18. Spectroscopic studies on the interaction of cysteine capped CuS nanoparticles with tyrosine

    NASA Astrophysics Data System (ADS)

    Prasanth, S.; Raj, D. Rithesh; Kumar, T. V. Vineesh; Sudarsanakumar, C.

    2015-06-01

    Biocompatible cysteine coated CuS nanoparticles were synthesized by a simple aqueous solution method. Hexagonal phase of the samples were confirmed from X-ray diffraction and particle size found to be 9 nm. The possible interaction between the bioactive cysteine capped CuS nanoparticles and tyrosine were investigated using spectroscopic techniques such as UV-Visible absorption and fluorescence spectroscopy. It is observed that the luminescence intensity of tyrosine molecule enhanced by the addition CuS nanoparticles.

  19. Application of the Z-scan technique to determine the optical Kerr coefficient and two-photon absorption coefficient of magnetite nanoparticles colloidal suspension

    NASA Astrophysics Data System (ADS)

    Vivacqua, Marco; Espinosa, Daniel; Martins Figueiredo Neto, Antônio

    2012-06-01

    We investigate the occurrence of the optical Kerr effect and two-photon absorption when an oil-based magnetic Fe3O4 nanoparticles colloidal suspension is illuminated with high intensity femtosecond laser pulses. The frequency of the pulses is controlled and the Z-scan technique is employed in our measurements of the nonlinear optical Kerr coefficient (n2) and two-photon absorption coefficient (β). From these values it was possible to calculate the real and imaginary parts of the third-order susceptibility. We observed that increasing the pulse frequency, additional physical processes take place, increasing artificially the absolute values of n2 and β. The experimental conditions are discussed to assure the obtention of reliable values of these nonlinear optical parameters, which may be useful in all-optical switching and optical power limiting applications.

  20. Optical systems modeling and experimental realization of pump and probe technique: investigation of nonlinear absorption in colloidal quantum dots

    NASA Astrophysics Data System (ADS)

    Smirnov, A.; Golinskaya, A.; Ezhova, K.; Kozlova, M.; Dneprovskii, V.

    2016-04-01

    Two optical systems modeling of laser and broadband radiation focusing, that is necessary for realization of the pump and probe method, was carried out in this work. Modeling was utilized to construct experimental setup for transmission spectra measuring of studied sample by probe nanosecond broadband radiation (coumarin photoluminescence) depending on the intensity of the nanosecond laser pump pulses. The saturation effect of absorption and the induced charge Stark-effect coexistence and predominate issue of these effects are determined by power of optical excitation. In dependence of tuning of excitation radiation frequency from basic exciton transition frequency nonlinear effects in colloidal CdSe/ZnS quantum dots has been investigated.

  1. X-ray absorption spectroscopy of metalloproteins.

    PubMed

    Ward, Jesse; Ollmann, Emily; Maxey, Evan; Finney, Lydia A

    2014-01-01

    Metalloproteins are enormously important in biology. While a variety of techniques exist for studying metals in biology, X-ray absorption spectroscopy is particularly useful in that it can determine the local electronic and physical structure around the metal center, and is one of the few avenues for studying "spectroscopically silent" metal ions like Zn(II) and Cu(I) that have completely filled valence bands. While X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) are useful for studying metalloprotein structure, they suffer the limitation that the detected signal is an average of all the various metal centers in the sample, which limits its usefulness for studying metal centers in situ or in cell lysates. It would be desirable to be able to separate the various proteins in a mixture prior to performing X-ray absorption studies, so that the derived signal is from one species only. Here we describe a method for performing X-ray absorption spectroscopy on protein bands following electrophoretic separation and western blotting.

  2. Quantum Entanglement Molecular Absorption Spectrum Simulator

    NASA Technical Reports Server (NTRS)

    Nguyen, Quang-Viet; Kojima, Jun

    2006-01-01

    Quantum Entanglement Molecular Absorption Spectrum Simulator (QE-MASS) is a computer program for simulating two photon molecular-absorption spectroscopy using quantum-entangled photons. More specifically, QE-MASS simulates the molecular absorption of two quantum-entangled photons generated by the spontaneous parametric down-conversion (SPDC) of a fixed-frequency photon from a laser. The two-photon absorption process is modeled via a combination of rovibrational and electronic single-photon transitions, using a wave-function formalism. A two-photon absorption cross section as a function of the entanglement delay time between the two photons is computed, then subjected to a fast Fourier transform to produce an energy spectrum. The program then detects peaks in the Fourier spectrum and displays the energy levels of very short-lived intermediate quantum states (or virtual states) of the molecule. Such virtual states were only previously accessible using ultra-fast (femtosecond) laser systems. However, with the use of a single-frequency continuous wave laser to produce SPDC photons, and QEMASS program, these short-lived molecular states can now be studied using much simpler laser systems. QE-MASS can also show the dependence of the Fourier spectrum on the tuning range of the entanglement time of any externally introduced optical-path delay time. QE-MASS can be extended to any molecule for which an appropriate spectroscopic database is available. It is a means of performing an a priori parametric analysis of entangled photon spectroscopy for development and implementation of emerging quantum-spectroscopic sensing techniques. QE-MASS is currently implemented using the Mathcad software package.

  3. Spectroscopic detection

    DOEpatents

    Woskov, Paul P.; Hadidi, Kamal

    2003-01-01

    In embodiments, spectroscopic monitor monitors modulated light signals to detect low levels of contaminants and other compounds in the presence of background interference. The monitor uses a spectrometer that includes a transmissive modulator capable of causing different frequency ranges to move onto and off of the detector. The different ranges can include those with the desired signal and those selected to subtract background contributions from those with the desired signal. Embodiments of the system are particularly useful for monitoring metal concentrations in combustion effluent.

  4. Propylation technique for the simultaneous determination of tetraalkyllead and ionic alkyllead species by gas chromatography/atomic absorption spectrometry

    SciTech Connect

    Radojevic, M.; Allen, A.; Rapsomanikis, S.; Harrison, R.M.

    1986-03-01

    The only technique capable of simultaneous determination of R/sub 4/Pb and ionic alkyllead compounds involves extraction into an organic solvent in the presence of sodium diethyldithiocarbamate (NaDDTC) and derivatizations of ionic species to R/sub 4/Pb forms using a butylating Grignard reagent (n-butylmagnesium chloride) followed by GC/AAS analysis. This technique has been applied to many environmental samples with some degree of success, although for many less polluted samples even greater sensitivity is required. In this communication the authors present an improved and novel derivatization technique of the simultaneous determination R/sub 4/Pb and ionic alkyllead species involving extraction into n-hexane and propylation to the tetraalkyllead form using propylmagnesium chloride with GC/electrothermal AAS analysis. The technique is compared to the previously reported butylation method, and procedures of extract concentration are investigated. 11 references, 2 figures, 1 table.

  5. Application of a diode-laser absorption technique with the d(2) transition of atomic rb for hypersonic flow-field measurements.

    PubMed

    Trinks, O; Beck, W H

    1998-10-20

    With a first application of semiconductor lasers to absorption measurements of seeded atomic Rb in high-enthalpy flow fields, a diagnostic technique for time-resolved determination of flow velocity and gas temperature with a line-shape analysis was developed. In our measurements a GaAlAs diode laser was used to scan repetitively at 15 kHz over 1.3 cm(-1) across the D(2) resonance transition (5S(1/2) ? 5P(3/2), 780.2 nm) of seeded atomic Rb to obtain multiple absorption line shapes. The time-dependent signal contains highly resolved spectral line-shape information, which we interpret by fitting the spectrally resolved line shapes to Voigt profiles. Kinetic temperatures in the range 900-1400 K and gas velocities in the range 3900-6200 ms(-1) were obtained from the Doppler-broadened component of the line shape and from the Doppler shift, respectively, of the absorption frequency.

  6. Towards quantitative atmospheric water vapor profiling with differential absorption lidar.

    PubMed

    Dinovitser, Alex; Gunn, Lachlan J; Abbott, Derek

    2015-08-24

    Differential Absorption Lidar (DIAL) is a powerful laser-based technique for trace gas profiling of the atmosphere. However, this technique is still under active development requiring precise and accurate wavelength stabilization, as well as accurate spectroscopic parameters of the specific resonance line and the effective absorption cross-section of the system. In this paper we describe a novel master laser system that extends our previous work for robust stabilization to virtually any number of multiple side-line laser wavelengths for the future probing to greater altitudes. In this paper, we also highlight the significance of laser spectral purity on DIAL accuracy, and illustrate a simple re-arrangement of a system for measuring effective absorption cross-section. We present a calibration technique where the laser light is guided to an absorption cell with 33 m path length, and a quantitative number density measurement is then used to obtain the effective absorption cross-section. The same absorption cell is then used for on-line laser stabilization, while microwave beat-frequencies are used to stabilize any number of off-line lasers. We present preliminary results using ∼300 nJ, 1 μs pulses at 3 kHz, with the seed laser operating as a nanojoule transmitter at 822.922 nm, and a receiver consisting of a photomultiplier tube (PMT) coupled to a 356 mm mirror. PMID:26368258

  7. Towards quantitative atmospheric water vapor profiling with differential absorption lidar.

    PubMed

    Dinovitser, Alex; Gunn, Lachlan J; Abbott, Derek

    2015-08-24

    Differential Absorption Lidar (DIAL) is a powerful laser-based technique for trace gas profiling of the atmosphere. However, this technique is still under active development requiring precise and accurate wavelength stabilization, as well as accurate spectroscopic parameters of the specific resonance line and the effective absorption cross-section of the system. In this paper we describe a novel master laser system that extends our previous work for robust stabilization to virtually any number of multiple side-line laser wavelengths for the future probing to greater altitudes. In this paper, we also highlight the significance of laser spectral purity on DIAL accuracy, and illustrate a simple re-arrangement of a system for measuring effective absorption cross-section. We present a calibration technique where the laser light is guided to an absorption cell with 33 m path length, and a quantitative number density measurement is then used to obtain the effective absorption cross-section. The same absorption cell is then used for on-line laser stabilization, while microwave beat-frequencies are used to stabilize any number of off-line lasers. We present preliminary results using ∼300 nJ, 1 μs pulses at 3 kHz, with the seed laser operating as a nanojoule transmitter at 822.922 nm, and a receiver consisting of a photomultiplier tube (PMT) coupled to a 356 mm mirror.

  8. An Improved Computational Technique for Calculating Electromagnetic Forces and Power Absorptions Generated in Spherical and Deformed Body in Levitation Melting Devices

    NASA Technical Reports Server (NTRS)

    Zong, Jin-Ho; Szekely, Julian; Schwartz, Elliot

    1992-01-01

    An improved computational technique for calculating the electromagnetic force field, the power absorption and the deformation of an electromagnetically levitated metal sample is described. The technique is based on the volume integral method, but represents a substantial refinement; the coordinate transformation employed allows the efficient treatment of a broad class of rotationally symmetrical bodies. Computed results are presented to represent the behavior of levitation melted metal samples in a multi-coil, multi-frequency levitation unit to be used in microgravity experiments. The theoretical predictions are compared with both analytical solutions and with the results or previous computational efforts for the spherical samples and the agreement has been very good. The treatment of problems involving deformed surfaces and actually predicting the deformed shape of the specimens breaks new ground and should be the major usefulness of the proposed method.

  9. An improved computational technique for calculating electromagnetic forces and power absorptions generated in spherical and deformed body in levitation melting devices

    NASA Technical Reports Server (NTRS)

    Zong, Jin-Ho; Szekely, Julian; Schwartz, Elliot

    1992-01-01

    An improved computational technique for calculating the electromagnetic force field, the power absorption and the deformation of an electromagnetically levitated metal sample is described. The technique is based on the volume integral method, but represents a substantial refinement; the coordinate transformation employed allows the efficient treatment of a broad class of rotationally symmetrical bodies. Computed results are presented to represent the behavior of levitation melted metal samples in a multi-coil, multi-frequency levitation unit to be used in microgravity experiments. The theoretical predictions are compared with both analytical solutions and with the results of previous computational efforts for the spherical samples and the agreement has been very good. The treatment of problems involving deformed surfaces and actually predicting the deformed shape of the specimens breaks new ground and should be the major usefulness of the proposed method.

  10. Noise estimation technique to reduce the effects of 1/f noise in Open Path Tunable Diode Laser Absorption Spectrometry (OP-TDLAS)

    NASA Astrophysics Data System (ADS)

    Mohammad, Israa L.; Anderson, Gary T.; Chen, Youhua

    2014-06-01

    Many techniques using high frequency modulation have been proposed to reduce the effects of 1/f noise in tunable diode-laser absorption spectroscopy (TDLAS). The instruments and devices used by these techniques are not suitable for space applications that require small, low mass and low power instrumentation. A new noise estimation technique has already been proposed and validated for two lasers to reduce the effect of 1/f noise at lower frequencies. This paper extends the noise estimation technique and applies it using one distribution feedback (DFB) laser diode. In this method a DFB laser diode is excited at two slightly different frequencies, giving two different harmonics that can be used to estimate the total noise in the measurement. Simulations and experimental results on ammonia gas validate that the 1/f noise is effectively reduced by the noise estimation technique using one laser. Outdoor experimental results indicate that the effect of 1/f noise is reduced to more than 1/4 its normal value.

  11. Potential of the isolated lung technique for the examination of sildenafil absorption from lung-delivered poly(lactide-co-glycolide) microparticles.

    PubMed

    Beck-Broichsitter, Moritz; Stoisiek, Katharina; Bohr, Adam; Aragão-Santiago, Leticia; Gessler, Tobias; Seeger, Werner; Kissel, Thomas

    2016-03-28

    Herein, we challenged the isolated lung (IL) technique to discriminate the performance of lung-delivered polymeric microparticles (MPs) having distinct drug release rates. For this purpose, sildenafil-loaded poly(lactide-co-glycolide) MPs were administered to the airspace of an IL model and the drug absorption profile was monitored. MPs (particle size of ~5μm) composed of PLGA of lower molecular weight (and glass transition temperature) manifested in the most rapid in vitro drug release (half-times ranging from <15 to ~200min). Moreover, microencapsulation resulted in a delayed sildenafil transfer over the air/perfusate barrier (half-times ranging from <5 to ~230min), where the actual ex vivo absorption profile depended on the release behavior of the utilized formulation. Finally, the obtained in vitro and ex vivo results were tested for level C, B and A correlations. The plotted data showed good agreement (R(2)>0.96) and the slopes of the resulting lines of regression (i.e., 0.80-0.85) indicated a slightly elevated in vitro drug release behavior. Overall, the IL model was able to differentiate between distinct microparticulate formulations and is, therefore, a valuable technique for early testing of potential inhalable controlled release medications.

  12. A two-laser beam technique for improving the sensitivity of low frequency open path tunable diode laser absorption spectrometer (OP-TDLAS) measurements

    NASA Astrophysics Data System (ADS)

    Mohammad, Israa L.; Anderson, Gary T.; Chen, Youhua

    2013-09-01

    Open path tunable diode-laser absorption spectroscopy (OP-TDLAS) is a promising technique to detect low concentrations of possible biogenic gases on Mars. This technique finds the concentration of a gas by measuring the amount of laser light absorbed by gaseous molecules at a specific wavelength. One of the major factors limiting sensitivity in the TDLAS systems operating at low modulation frequencies is 1/f noise. 1/f noise is minimized in many spectroscopy systems by the use of high frequency modulation techniques. However, these techniques require complex instruments that include reference cells and other devices for calibration, making them relatively large and bulky. We are developing a spectroscopy system for space applications that requires small, low mass and low power instrumentation, making the high frequency techniques unsuitable. This paper explores a new technique using two-laser beam to reduce the affect of 1/f noise and increase the signal strength for measurements made at lower frequencies. The two lasers are excited at slightly different frequencies. An algorithm is used to estimate the noise in the second harmonic from the combined spectra of both lasers. This noise is subtracted from the signal to give a more accurate measurement of gas concentration. The error in estimation of 1/f noise is negligible as it corresponds to noise level made at much higher frequencies. Simulation results using ammonia gas and two lasers operating at 500 and 510 Hz respectively shows that this technique is able to decrease the error in estimation of gas concentration to 1/6 its normal value.

  13. Signal-to-Noise Enhancement Techniques for Quantum Cascade Absorption Spectrometers Employing Optimal Filtering and Other Approaches

    SciTech Connect

    Disselkamp, Robert S.; Kelly, James F.; Sams, Robert L.; Anderson, Gordon A.

    2002-09-01

    Optical feedback to the laser source in tunable diode laser spectroscopy (TDLS) is known to create intensity modulation noise due to elatoning and optical feedback (i.e., multiplicative technical noise) that usually limits spectral signal-to-noise (S/N). The large technical noise often limits absorption spectroscopy to noise floors 100-fold greater than the Poisson shot noise limit due to fluctuations in the laser intensity. The high output powers generated from quantum cascade (QC) lasers, along with their high gain, makes these injection laser systems especially susceptible to technical noise. In this article we discuss a method of using optimal filtering to reduce technical noise. We have observed S/N enhancements ranging from {approx}20% to a factor of {approx}50. The degree to which optimal filtering will enhance S/N depends on the similarity between the Fourier components of the technical noise and those of the signal, with lower S/N enhancements observed for more similar Fourier decompositions of the signal and technical noise. We also examine the linearity of optimal filtered spectra for both time and intensity. This was accomplished by creating a synthetic spectrum for the species being studied (CH4, N2O, CO2, H2O in ambient air) utilizing line-positions and line-widths with an assumed Voight-profile from a previous database (HITRAN). Agreement better than 0.036% in wavenumber, and 1.64% in intensity (up to a 260-fold intensity ratio employed), was observed. Our results suggest that rapid ex post facto digital optimal filtering can be used to enhance S/N for routine trace gas detection.

  14. Spectroscopically Unlocking Exoplanet Characteristics

    NASA Astrophysics Data System (ADS)

    Lewis, Nikole

    2016-05-01

    Spectroscopy plays a critical role in a number of areas of exoplanet research. The first exoplanets were detected by precisely measuring Doppler shifts in high resolution (R ~ 100,000) stellar spectra, a technique that has become known as the Radial Velocity (RV) method. The RV method provides critical constraints on exoplanet masses, but is currently limited to some degree by robust line shape predictions. Beyond the RV method, spectroscopy plays a critical role in the characterization of exoplanets beyond their mass and radius. The Hubble Space Telescope has spectroscopically observed the atmospheres of exoplanets that transit their host stars as seen from Earth giving us key insights into atmospheric abundances of key atomic and molecular species as well as cloud optical properties. Similar spectroscopic characterization of exoplanet atmospheres will be carried out at higher resolution (R ~ 100-3000) and with broader wavelength coverage with the James Webb Space Telescope. Future missions such as WFIRST that seek to the pave the way toward the detection and characterization of potentially habitable planets will have the capability of directly measuring the spectra of exoplanet atmospheres and potentially surfaces. Our ability to plan for and interpret spectra from exoplanets relies heavily on the fidelity of the spectroscopic databases available and would greatly benefit from further laboratory and theoretical work aimed at optical properties of atomic, molecular, and cloud/haze species in the pressure and temperature regimes relevant to exoplanet atmospheres.

  15. A two-laser beam technique for improving the sensitivity of low frequency open path tunable diode laser absorption spectrometer (OP-TDLAS) measurements

    NASA Astrophysics Data System (ADS)

    Mohammad, Isra'a. Lateef

    Open path tunable diode-laser absorption spectroscopy (OP-TDLAS) is a promising technique that is proposed for detecting low concentrations of possible biogenic gases on Mars. This technique determines the concentration of a gas by measuring the amount of laser light absorbed by molecules at a specific wavelength that is characteristic of those molecules. One of the major factors limiting sensitivity in the OP-TDLAS systems is noise. At low modulation frequencies, 1/f noise usually dominates. This 1/f noise is minimized in many spectroscopy systems by use of high frequency techniques. However, these methods use complex instruments that include reference cells and other devices for calibration, making them relatively large and bulky. We have built a spectroscopy system for space applications that requires small, low mass and low power instrumentation, making the high frequency techniques unsuitable. This work explores a new technique that uses a two-laser beam to reduce the affect of 1/f noise and increase the signal strength for measurements made at lower frequencies. The two lasers are excited at slightly different frequencies. An algorithm is used to estimate the total noise in the second harmonic from the combined spectra of both lasers. This noise is subtracted from the signal to give a more accurate measurement of gas concentration. The error in estimation of 1/f noise is negligible as it corresponds to noise level made at much higher frequencies. Experimental results using ammonia gas and two lasers operating at 500 and 510 Hz respectively shows that this technique reduces the effect of 1/f noise by 1/3 its normal value. Furthermore, the error in estimation of gas concentration is also reduced.

  16. Development of a 2-micron Pulsed Differential Absorption Lidar for Atmospheric CO2 Concentration Measurement by Direct Detection Technique

    NASA Astrophysics Data System (ADS)

    Yu, J.; Singh, U. N.; Petros, M.; Bai, Y.

    2011-12-01

    Researchers at NASA Langley Research Center are developing a 2-micron Pulsed Differential Absorption Lidar instrument for ground and airborne measurements via direct detection method. This instrument will provide an alternate approach to measure atmospheric CO2 concentrations with significant advantages. A high energy pulsed approach provides high-precision measurement capbility by having high signal-to-noise level and unambiguously eliminates the contamination from aerosols and clouds that can bias the IPDA measurement. A key component of the CO2 DIAL system, transceiver, is an existing, airborne ready, robust hardware which can provide 250mJ at 10Hz with double pulse format specifically designed for DIAL instrument. The exact wavelengths of the transceiver are controlled by well defined CW seed laser source to provide the required injection source for generating on-and-off line wavelength pulses sequentially. The compact, rugged, highly reliable transceiver is based on the unique Ho:Tm:YLF high-energy 2-micron pulsed laser technology. All the optical mounts are custom designed and have space heritage. They are designed to be adjustable and lockable and hardened to withstand vibrations that can occur in airborne operation. For the direct detection lidar application, a large primary mirror size is preferred. A 14 inch diameter telescope will be developed for this program. The CO2 DIAL/IPDA system requires many electronic functions to operate. These include diode, RF, seed laser, and PZT drivers; injection seeding detection and control; detector power supplies; and analog inputs to sample various sensors. Under NASA Laser Risk Reduction Program (LRRP), a control unit Compact Laser Electronics (CLE), is developed for the controlling the coherent wind lidar transceiver. Significant modifications and additions are needed to update it for CO2 lidar controls. The data acquisition system was built for ground CO2 measurement demonstration. The software will be updated for

  17. Determination of ultra trace amounts of copper by a multi-injection technique of electrothermal atomic absorption spectrometry after using solid-phase extraction.

    PubMed

    Sabermahani, Fatemeh; Taher, Mohammad Ali

    2014-01-01

    A new method using a multi-injection technique combined with SPE was developed for the determination of copper (Cu) in environmental samples. The method is based on SPE of copper ions on naphthalene as its 2-(5-bromo-2-pyridylazo)- 5-diethylaminophenol (5-Br-PADAP)-ammonium tetraphenylborate complex, in the pH range 6.0-9.5, and determined by electrothermal atomic absorption spectrometry. No chemical modifier is required in the graphite furnace. The detection limit can be reduced to 1.5 ng/L using an injection volume of 25.0 μL (five 5.0 μL) without interference by the matrixes. The optimum pyrolysis and atomization temperatures were 500 and 2200°C, respectively, for the concentrated solution of Cu. The sensitivity for 1% absorption was 2.6 pg Cu. Eight replicate determinations for 0.1 μg Cu in 5.0mL dimethylformamide gave an RSD of 2.3% for a single injection and 2.7% for a multi-injection. The procedure was validated with certified reference materials and successfully applied to the determination of copper in water and plant samples. PMID:25632448

  18. Determination of wood burning and fossil fuel contribution of black carbon at Delhi, India using aerosol light absorption technique.

    PubMed

    Tiwari, S; Pipal, A S; Srivastava, A K; Bisht, D S; Pandithurai, G

    2015-02-01

    A comprehensive measurement program of effective black carbon (eBC), fine particle (PM2.5), and carbon monoxide (CO) was undertaken during 1 December 2011 to 31 March 2012 (winter period) in Delhi, India. The mean mass concentrations of eBC, PM2.5, and CO were recorded as 12.1 ± 8.7 μg/m(3), 182.75 ± 114.5 μg/m(3), and 3.41 ± 1.6 ppm, respectively, during the study period. Also, the absorption Angstrom exponent (AAE) was estimated from eBC and varied from 0.38 to 1.29 with a mean value of 1.09 ± 0.11. The frequency of occurrence of AAE was ~17 % less than unity whereas ~83 % greater than unity was observed during the winter period in Delhi. The mass concentrations of eBC were found to be higher by ~34 % of the average value of eBC (12.1 μg/m(3)) during the study period. Sources of eBC were estimated, and they were ~94 % from fossil fuel (eBCff) combustion whereas only 6 % was from wood burning (eBCwb). The ratio between eBCff and eBCwb was 15, which indicates a higher impact from fossil fuels compared to biomass burning. When comparing eBCff during day and night, a factor of three higher concentrations was observed in nighttime than daytime, and it is due to combustion of fossil fuel (diesel vehicle emission) and shallow boundary layer conditions. The contribution of eBCwb in eBC was higher between 1800 and 2100 hours due to burning of wood/biomass. A significant correlation between eBC and PM2.5 (r = 0.78) and eBC and CO (r = 0.46) indicates the similarity in location sources. The mass concentration of eBC was highest (23.4 μg/m(3)) during the month of December when the mean visibility (VIS) was lowest (1.31 km). Regression analysis among wind speed (WS), VIS, soot particles, and CO was studied, and significant negative relationships were seen between VIS and eBC (-0.65), eBCff (-0.66), eBCwb (-0.34), and CO (-0.65); however, between WS and eBC (-0.68), eBCff (-0.67), eBCwb (-0.28), and CO (-0.53). The regression analysis indicated

  19. Determination of wood burning and fossil fuel contribution of black carbon at Delhi, India using aerosol light absorption technique.

    PubMed

    Tiwari, S; Pipal, A S; Srivastava, A K; Bisht, D S; Pandithurai, G

    2015-02-01

    A comprehensive measurement program of effective black carbon (eBC), fine particle (PM2.5), and carbon monoxide (CO) was undertaken during 1 December 2011 to 31 March 2012 (winter period) in Delhi, India. The mean mass concentrations of eBC, PM2.5, and CO were recorded as 12.1 ± 8.7 μg/m(3), 182.75 ± 114.5 μg/m(3), and 3.41 ± 1.6 ppm, respectively, during the study period. Also, the absorption Angstrom exponent (AAE) was estimated from eBC and varied from 0.38 to 1.29 with a mean value of 1.09 ± 0.11. The frequency of occurrence of AAE was ~17 % less than unity whereas ~83 % greater than unity was observed during the winter period in Delhi. The mass concentrations of eBC were found to be higher by ~34 % of the average value of eBC (12.1 μg/m(3)) during the study period. Sources of eBC were estimated, and they were ~94 % from fossil fuel (eBCff) combustion whereas only 6 % was from wood burning (eBCwb). The ratio between eBCff and eBCwb was 15, which indicates a higher impact from fossil fuels compared to biomass burning. When comparing eBCff during day and night, a factor of three higher concentrations was observed in nighttime than daytime, and it is due to combustion of fossil fuel (diesel vehicle emission) and shallow boundary layer conditions. The contribution of eBCwb in eBC was higher between 1800 and 2100 hours due to burning of wood/biomass. A significant correlation between eBC and PM2.5 (r = 0.78) and eBC and CO (r = 0.46) indicates the similarity in location sources. The mass concentration of eBC was highest (23.4 μg/m(3)) during the month of December when the mean visibility (VIS) was lowest (1.31 km). Regression analysis among wind speed (WS), VIS, soot particles, and CO was studied, and significant negative relationships were seen between VIS and eBC (-0.65), eBCff (-0.66), eBCwb (-0.34), and CO (-0.65); however, between WS and eBC (-0.68), eBCff (-0.67), eBCwb (-0.28), and CO (-0.53). The regression analysis indicated

  20. Controlled coupling of a single nanoparticle in polymeric microstructure by low one-photon absorption-based direct laser writing technique.

    PubMed

    Do, M T; Nguyen, D T T; Ngo, H M; Ledoux-Rak, I; Lai, N D

    2015-03-13

    We investigated the coupling of a single nanoparticle (NP) into a polymer-based photonic structure (PS). The low one-photon absorption microscopy with a two-step technique allowed us first to accurately determine the location of a NP and then to embed it as desired into an arbitrary PS. The coupling of a gold NP and a polymer-based PS was experimentally investigated showing a six-fold photon collection enhancement as compared to that of a NP in unpatterned film. The simulation results based on finite-difference time-domain calculation method confirmed this observation and showed a 2.86-fold enhancement in extraction efficiency thanks to the NP/PS coupling.

  1. Development of a tunable diode laser absorption sensor for online monitoring of industrial gas total emissions based on optical scintillation cross-correlation technique.

    PubMed

    Zhang, Zhirong; Pang, Tao; Yang, Yang; Xia, Hua; Cui, Xiaojuan; Sun, Pengshuai; Wu, Bian; Wang, Yu; Sigrist, Markus W; Dong, Fengzhong

    2016-05-16

    We report the first application of gas total emission using a DFB diode laser for gas concentration measurements combined with two LEDs for gas velocity measurements. In situ gas total emissions and particle density measurements in an industrial pipeline using simultaneous tunable diode laser absorption spectroscopy (TDLAS) and optical scintillation cross-correlation technique (OSCC) are presented. Velocity mean values obtained are 7.59 m/s (OSCC, standard deviation is 1.37 m/s) and 8.20 m/s (Pitot tube, standard deviation is 1.47 m/s) in a steel plant pipeline for comparison. Our experiments demonstrate that the combined system of TDLAS and OSCC provides a new versatile tool for accurate measurements of total gas emissions. PMID:27409967

  2. A technique coupling the analyte electrodeposition followed by in-situ stripping with electrothermal atomic absorption spectrometry for analysis of samples with high NaCl contents

    NASA Astrophysics Data System (ADS)

    Čánský, Zdeněk; Rychlovský, Petr; Petrová, Zuzana; Matousek, J. P.

    2007-03-01

    A technique coupling the analyte electrodeposition followed by in-situ stripping with electrothermal atomic absorption spectrometry has been developed for determination of lead and cadmium in samples with high salt contents. To separate the analyte from the sample matrix, the analyte was in-situ quantitatively electrodeposited on a platinum sampling capillary serving as the cathode (sample volume, 20 μL). The spent electrolyte containing the sample matrix was then withdrawn, the capillary with the analyte deposited was washed with deionized water and the analyte was stripped into a chemically simple electrolyte (5 g/L NH 4H 2PO 4) by reversing the polarity of the electrodeposition circuit. Electrothermal atomization using a suitable optimized temperature program followed. A fully automated manifold was designed for this coupled technique and the appropriate control software was developed. The operating conditions for determination of Pb and Cd in samples with high contents of inorganic salts were optimized, the determination was characterized by principal analytical parameters and its applicability was verified on analyses of urine reference samples. The absolute limits of detection for lead and cadmium (3 σ criterion) in a sample containing 30 g/L NaCl were 8.5 pg and 2.3 pg, respectively (peak absorbance) and the RSD values amounted to 1.6% and 1.9% for lead (at the 40 ng mL - 1 level) and cadmium (at the 4.0 ng mL - 1 level), respectively. These values (and also the measuring sensitivity) are superior to the results attained in conventional electrothermal atomic absorption spectrometric determination of Pb and Cd in pure solutions (5 g/L NH 4H 2PO 4). The sensitivity of the Pb and Cd determination is not affected by the NaCl concentration up to a value of 100 g/L, demonstrating an efficient matrix removal during the electrodeposition step.

  3. Resolving Spectral Lines with a Periscope-Type DVD Spectroscope

    ERIC Educational Resources Information Center

    Wakabayashi, Fumitaka

    2008-01-01

    A new type of DVD spectroscope, the periscope type, is described and the numerical analysis of the observed emission and absorption spectra is demonstrated. A small and thin mirror is put inside and an eighth part of a DVD is used as a grating. Using this improved DVD spectroscope, one can observe and photograph visible spectra more easily and…

  4. Direct UV-spectroscopic measurement of selected ionic-liquid vapors

    SciTech Connect

    Dai, Sheng; Luo, Huimin; Wang, Congmin; Li, Haoran

    2010-01-01

    The hallmark of ionic liquids lies in their negligible vapor pressure. This ultralow vapor pressure makes it difficult to conduct the direct spectroscopic measurement of ionic-liquid vapors. In fact, there have been no electronic spectroscopic data currently available for ionic-liquid vapors. This deficiency significantly hampers the fundamental understanding of the unique molecular structures of ionic liquids. Herein, the UV absorption spectra of eight ionic liquids, such as 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([Bmim{sup +}] [Tf{sub 2}N{sup -}]) and 1-ethyl-3-methylimidazolium bis(perfluoroethylsulfonyl)imide ([Emim{sup +}][beti{sup -}]) in the vapor phase in a distillation-like environment, were measured through a high-temperature spectroscopic technique to fill this knowledge gap. Two strong absorption peaks of the [Bmim{sup +}][Tf{sub 2}N{sup -}] vapor lie at 202 and 211 nm, slightly different from those of the neat [Bmim{sup +}][Tf{sub 2}N{sup -}] thin film and its solution in water. Based on the quantitative determination of the vapor absorption spectra as a function of temperature, the vaporization enthalpies of these ionic liquids vapors were measured and found to be in good agreement with the corresponding literature values. This in situ method opens up a new avenue to study the nature of ionic-liquid vapors and to determine the vaporization enthalpies of ionic liquids.

  5. Optical spectroscopic instrumentation and techniques for the 1990s - Applications in astronomy, chemistry, and physics; Proceedings of the Meeting, Las Cruces, NM, June 4-6, 1990

    SciTech Connect

    Mcnamara, B.J.; Lerner, J.M.

    1990-01-01

    Fiber spectroscopy and a new generation of large ground-based telescopes are addressed, adaptive imaging spectrometers in astronomy are discussed along with two-dimensional spectroscopy with a universal birefringent filter and a Fabry-Perot interferometer, resonance-ionization mass spectrometry for material analysis and characterization, and time-resolved coherent anti-Stokes Raman spectroscopy and the measurement of vibrational spectra in shock-compressed molecular materials. Present and future roles of high-performance charge-transfer-device detectors in spectrochemical analysis are outlined as well as recent developments in near-infrared Hadamard transform Raman spectroscopy and special heterodyne spectroscopy. Influence of the laser characteristics on laser-sampling inductively coupled plasma-mass spectrometry, high-precision measurements of stellar radial velocity variations, and the on-line spectroscopic monitoring of metal ions for environmental and space applications using photodiode-array spectroscopy are covered.

  6. Optical spectroscopic instrumentation and techniques for the 1990s - Applications in astronomy, chemistry, and physics; Proceedings of the Meeting, Las Cruces, NM, June 4-6, 1990

    NASA Astrophysics Data System (ADS)

    McNamara, Bernard J.; Lerner, Jeremy M.

    Fiber spectroscopy and a new generation of large ground-based telescopes are addressed, adaptive imaging spectrometers in astronomy are discussed along with two-dimensional spectroscopy with a universal birefringent filter and a Fabry-Perot interferometer, resonance-ionization mass spectrometry for material analysis and characterization, and time-resolved coherent anti-Stokes Raman spectroscopy and the measurement of vibrational spectra in shock-compressed molecular materials. Present and future roles of high-performance charge-transfer-device detectors in spectrochemical analysis are outlined as well as recent developments in near-infrared Hadamard transform Raman spectroscopy and special heterodyne spectroscopy. Influence of the laser characteristics on laser-sampling inductively coupled plasma-mass spectrometry, high-precision measurements of stellar radial velocity variations, and the on-line spectroscopic monitoring of metal ions for environmental and space applications using photodiode-array spectroscopy are covered.

  7. Thermodynamic Modeling of Poorly Complexing Metals in Concentrated Electrolyte Solutions: An X-Ray Absorption and UV-Vis Spectroscopic Study of Ni(II) in the NiCl2-MgCl2-H2O System

    PubMed Central

    Zhang, Ning; Brugger, Joël; Etschmann, Barbara; Ngothai, Yung; Zeng, Dewen

    2015-01-01

    Knowledge of the structure and speciation of aqueous Ni(II)-chloride complexes is important for understanding Ni behavior in hydrometallurgical extraction. The effect of concentration on the first-shell structure of Ni(II) in aqueous NiCl2 and NiCl2-MgCl2 solutions was investigated by Ni K edge X-ray absorption (XAS) and UV-Vis spectroscopy at ambient conditions. Both techniques show that no large structural change (e.g., transition from octahedral to tetrahedral-like configuration) occurs. Both methods confirm that the Ni(II) aqua ion (with six coordinated water molecules at RNi-O = 2.07(2) Å) is the dominant species over the whole NiCl2 concentration range. However, XANES, EXAFS and UV-Vis data show subtle changes at high salinity (> 2 mol∙kg-1 NiCl2), which are consistent with the formation of small amounts of the NiCl+ complex (up to 0.44(23) Cl at a Ni-Cl distance of 2.35(2) Å in 5.05 mol∙kg-1 NiCl2) in the pure NiCl2 solutions. At high Cl:Ni ratio in the NiCl2-MgCl2-H2O solutions, small amounts of [NiCl2]0 are also present. We developed a speciation-based mixed-solvent electrolyte (MSE) model to describe activity-composition relationships in NiCl2-MgCl2-H2O solutions, and at the same time predict Ni(II) speciation that is consistent with our XAS and UV-Vis data and with existing literature data up to the solubility limit, resolving a long-standing uncertainty about the role of chloride complexing in this system. PMID:25885410

  8. Thermodynamic modeling of poorly complexing metals in concentrated electrolyte solutions: an X-ray absorption and UV-Vis spectroscopic study of Ni(II) in the NiCl2-MgCl2-H2O system.

    PubMed

    Zhang, Ning; Brugger, Joël; Etschmann, Barbara; Ngothai, Yung; Zeng, Dewen

    2015-01-01

    Knowledge of the structure and speciation of aqueous Ni(II)-chloride complexes is important for understanding Ni behavior in hydrometallurgical extraction. The effect of concentration on the first-shell structure of Ni(II) in aqueous NiCl2 and NiCl2-MgCl2 solutions was investigated by Ni K edge X-ray absorption (XAS) and UV-Vis spectroscopy at ambient conditions. Both techniques show that no large structural change (e.g., transition from octahedral to tetrahedral-like configuration) occurs. Both methods confirm that the Ni(II) aqua ion (with six coordinated water molecules at RNi-O = 2.07(2) Å) is the dominant species over the whole NiCl2 concentration range. However, XANES, EXAFS and UV-Vis data show subtle changes at high salinity (> 2 mol∙kg(-1) NiCl2), which are consistent with the formation of small amounts of the NiCl+ complex (up to 0.44(23) Cl at a Ni-Cl distance of 2.35(2) Å in 5.05 mol∙kg(-1) NiCl2) in the pure NiCl2 solutions. At high Cl:Ni ratio in the NiCl2-MgCl2-H2O solutions, small amounts of [NiCl2]0 are also present. We developed a speciation-based mixed-solvent electrolyte (MSE) model to describe activity-composition relationships in NiCl2-MgCl2-H2O solutions, and at the same time predict Ni(II) speciation that is consistent with our XAS and UV-Vis data and with existing literature data up to the solubility limit, resolving a long-standing uncertainty about the role of chloride complexing in this system.

  9. Thermodynamic modeling of poorly complexing metals in concentrated electrolyte solutions: an X-ray absorption and UV-Vis spectroscopic study of Ni(II) in the NiCl2-MgCl2-H2O system.

    PubMed

    Zhang, Ning; Brugger, Joël; Etschmann, Barbara; Ngothai, Yung; Zeng, Dewen

    2015-01-01

    Knowledge of the structure and speciation of aqueous Ni(II)-chloride complexes is important for understanding Ni behavior in hydrometallurgical extraction. The effect of concentration on the first-shell structure of Ni(II) in aqueous NiCl2 and NiCl2-MgCl2 solutions was investigated by Ni K edge X-ray absorption (XAS) and UV-Vis spectroscopy at ambient conditions. Both techniques show that no large structural change (e.g., transition from octahedral to tetrahedral-like configuration) occurs. Both methods confirm that the Ni(II) aqua ion (with six coordinated water molecules at RNi-O = 2.07(2) Å) is the dominant species over the whole NiCl2 concentration range. However, XANES, EXAFS and UV-Vis data show subtle changes at high salinity (> 2 mol∙kg(-1) NiCl2), which are consistent with the formation of small amounts of the NiCl+ complex (up to 0.44(23) Cl at a Ni-Cl distance of 2.35(2) Å in 5.05 mol∙kg(-1) NiCl2) in the pure NiCl2 solutions. At high Cl:Ni ratio in the NiCl2-MgCl2-H2O solutions, small amounts of [NiCl2]0 are also present. We developed a speciation-based mixed-solvent electrolyte (MSE) model to describe activity-composition relationships in NiCl2-MgCl2-H2O solutions, and at the same time predict Ni(II) speciation that is consistent with our XAS and UV-Vis data and with existing literature data up to the solubility limit, resolving a long-standing uncertainty about the role of chloride complexing in this system. PMID:25885410

  10. Potassium emission absorption system. Topical report 12

    SciTech Connect

    Bauman, L.E.

    1995-04-01

    The Potassium Emission Absorption System is one of the advanced optical diagnostics developed at Mississippi State University to provide support for the demonstration of prototype-scale coal-fired combustion magnetohydrodynamic (MHD) electrical power generation. Intended for application in the upstream of an MHD flow, the system directly measures gas temperature and neutral potassium atom number density through spectroscopic emission absorption techniques. From these measurements the electron density can be inferred from a statistical equilibrium calculation and the electron conductivity in the MHD channel found by use of an electron mobility model. The instrument has been utilized for field test measurements on MHD facilities for almost a decade and has been proven to provide useful measurements as designed for MHD nozzle, channel, and diffuser test sections. The theory of the measurements, a system description, its capabilities, and field test measurement results are reported here. During the development and application of the instrument several technical issues arose which when addressed advanced the state of the art in emission absorption measurement. Studies of these issues are also reported here and include: two-wavelength measurements for particle-laden flows, potassium D-line far wing absorption coefficient, bias in emission absorption measurements arising from dirty windows and misalignments, non-coincident multiwavelength emission absorption sampling errors, and lineshape fitting for boundary layer flow profile information. Although developed for NLHD application, the instrument could be applied to any high temperature flow with a resonance line in the 300 to 800 nm range, for instance other types of flames, rocket plumes or low temperature plasmas.

  11. Imaging, Doppler, and spectroscopic radars from 95 to 700 GHz

    NASA Astrophysics Data System (ADS)

    Cooper, Ken B.

    2016-05-01

    Imaging, Doppler, and spectroscopic radars from 95 to 700 GHz, all using the frequency-modulated continuous-wave technique, are in various stages of development for both defense and science applications at the Jet Propulsion Laboratory. For standoff security screening, a 340 GHz imaging radar now achieves an 8.3 Hz frame, and it has been tested using power-efficient MMIC-based active multiplier sources into its front end. That system evolved from a 680 GHz security radar platform, which has also been modified to operate in a Doppler mode for probing the dynamics of blowing sand and sensing small-amplitude target vibrations. Meanwhile, 95 and 183 GHz radars based on similar RF architectures are currently being developed to probe cometary jets in space and, using a differential absorption technique, humidity inside upper-tropospheric clouds.

  12. Water-related absorption in fibrous diamonds

    NASA Astrophysics Data System (ADS)

    Zedgenizov, D. A.; Shiryaev, A. A.; Kagi, H.; Navon, O.

    2003-04-01

    Cubic and coated diamonds from several localities (Brasil, Canada, Yakutia) were investigated using spectroscopic techniques. Special emphasis was put on investigation of water-related features of transmission Infra-red and Raman spectra. Presence of molecular water is inferred from broad absorption bands in IR at 3420 and 1640 cm-1. These bands were observed in many of the investigated samples. It is likely that molecular water is present in microinclusions in liquid state, since no clear indications of solid H_2O (ice VI-VII, Kagi et al., 2000) were found. Comparison of absorption by HOH and OH vibrations shows that diamonds can be separated into two principal groups: those containing liquid water (direct proportionality of OH and HOH absorption) and those with stronger absorption by OH group. Fraction of diamonds in every group depends on their provenance. There might be positive correlation between internal pressure in microinclusions (determined using quartz barometer, Navon et al., 1988) and affiliation with diamonds containing liquid water. In many cases absorption by HOH vibration is considerably lower than absorption by hydroxyl (OH) group. This may be explained if OH groups are partially present in mineral and/or melt inclusions. This hypothesis is supported by following fact: in diamonds with strong absorption by silicates and other minerals shape and position of the OH band differs from that in diamonds with low absorption by minerals. Moreover, in Raman spectra of individual inclusions sometimes the broad band at 3100 cm-1 is observed. This band is OH-related. In some samples water distribution is not homogeneous. Central part of the diamond usually contains more water than outer parts, but this is not a general rule for all the samples. Water absorption usually correlated with absorption of other components (carbonates, silicates and others). At that fibrous diamonds with relatively high content of silicates are characterized by molecular water. OH

  13. Rapid, Time-Division Multiplexed, Direct Absorption- and Wavelength Modulation-Spectroscopy

    PubMed Central

    Klein, Alexander; Witzel, Oliver; Ebert, Volker

    2014-01-01

    We present a tunable diode laser spectrometer with a novel, rapid time multiplexed direct absorption- and wavelength modulation-spectroscopy operation mode. The new technique allows enhancing the precision and dynamic range of a tunable diode laser absorption spectrometer without sacrificing accuracy. The spectroscopic technique combines the benefits of absolute concentration measurements using calibration-free direct tunable diode laser absorption spectroscopy (dTDLAS) with the enhanced noise rejection of wavelength modulation spectroscopy (WMS). In this work we demonstrate for the first time a 125 Hz time division multiplexed (TDM-dTDLAS-WMS) spectroscopic scheme by alternating the modulation of a DFB-laser between a triangle-ramp (dTDLAS) and an additional 20 kHz sinusoidal modulation (WMS). The absolute concentration measurement via the dTDLAS-technique allows one to simultaneously calibrate the normalized 2f/1f-signal of the WMS-technique. A dTDLAS/WMS-spectrometer at 1.37 μm for H2O detection was built for experimental validation of the multiplexing scheme over a concentration range from 50 to 3000 ppmV (0.1 MPa, 293 K). A precision of 190 ppbV was achieved with an absorption length of 12.7 cm and an averaging time of two seconds. Our results show a five-fold improvement in precision over the entire concentration range and a significantly decreased averaging time of the spectrometer. PMID:25405508

  14. The 1997 spectroscopic GEISA databank.

    NASA Astrophysics Data System (ADS)

    Jacquinet-Husson, N.; Arie, E.; Ballard, J.; Barbe, A.; Bjoraker, G.; Bonnet, B.; Brown, L. R.; Camy-Peyret, C.; Champion, J. P.; Chedin, A.; Chursin, A.; Clerbaux, C.; Duxbury, G.; Flaud, J.-M.; Fourrie, N.; Fayt, A.; Graner, G.; Gamache, R.; Goldman, A.; Golovko, V.; Guelachvili, G.; Hartmann, J. M.; Hilico, J. C.; Hillman, J.; Lefevre, G.; Lellouch, E.; Mikhailenko, S. N.; Naumenko, O. V.; Nemtchinov, V.; Newnham, D. A.; Nikitin, A.; Orphal, J.; Perrin, A.; Reuter, D. C.; Rinsland, C. P.; Rosenmann, L.; Rothman, L. S.; Scott, N. A.; Selby, J.; Sinitsa, L. N.; Sirota, J. M.; Smith, A. M.; Smith, K. M.; Tyuterev, V. G.; Tipping, R. H.; Urban, S.; Varanasi, P.; Weber, M.

    1999-05-01

    The current version GEISA-97 of the computer-accessible database system GEISA (Gestion et Etude des Informations Spectroscopiques Atmospheriques: Management and Study of Atmospheric Spectroscopic Information) is described. This catalogue contains 1,346,266 entries. These are the spectroscopic parameters required to describe adequately the individual spectral lines belonging to 42 molecules (96 isotopic species) and located between 0 and 22656 cm-1. The featured molecules are of interest in studies of the terrestrial as well as the other planetary atmospheres, especially those of the giant planets. GEISA-97 contains also a catalog of absorption cross-sections of molecules such as chlorofluorocarbons which exhibit unresolvable spectra. The modifications and improvements made to the earlier edition (GEISA-92) and the data management software are described.

  15. Toward in-cylinder absorption tomography in a production engine

    NASA Astrophysics Data System (ADS)

    Wright, Paul; Garcia-Stewart, Charles A.; Carey, Stephen J.; Hindle, Francis P.; Pegrum, Stephen H.; Colbourne, Stephen M.; Turner, Paul J.; Hurr, William J.; Litt, Tim J.; Murray, Stuart C.; Crossley, Sam D.; Ozanyan, Krikor B.; McCann, Hugh

    2005-11-01

    Design requirements for an 8000 frame/s dual-wavelength ratiometric chemical species tomography system, intended for hydrocarbon vapor imaging in one cylinder of a standard automobile engine, are examined. The design process is guided by spectroscopic measurements on iso-octane and by comprehensive results from laboratory phantoms and research engines, including results on temporal resolution performance. Novel image reconstruction techniques, necessary for this application, are presented. Recent progress toward implementation, including details of the optical access arrangement employed and signal-to-noise issues, is described. We present first cross-cylinder IR absorption measurements from a reduced channel-count (nontomographic) system and discuss the prospects for imaging.

  16. Toward in-cylinder absorption tomography in a production engine.

    PubMed

    Wright, Paul; Garcia-Stewart, Charles A; Carey, Stephen J; Hindle, Francis P; Pegrum, Stephen H; Colbourne, Stephen M; Turner, Paul J; Hurr, William J; Litt, Tim J; Murray, Stuart C; Crossley, Sam D; Ozanyan, Krikor B; McCann, Hugh

    2005-11-01

    Design requirements for an 8000 frame/s dual-wavelength ratiometric chemical species tomography system, intended for hydrocarbon vapor imaging in one cylinder of a standard automobile engine, are examined. The design process is guided by spectroscopic measurements on iso-octane and by comprehensive results from laboratory phantoms and research engines, including results on temporal resolution performance. Novel image reconstruction techniques, necessary for this application, are presented. Recent progress toward implementation, including details of the optical access arrangement employed and signal-to-noise issues, is described. We present first cross-cylinder IR absorption measurements from a reduced channel-count (nontomographic) system and discuss the prospects for imaging.

  17. Tunable diode-laser absorption measurements of methane at elevated temperatures

    NASA Astrophysics Data System (ADS)

    Nagali, V.; Chou, S. I.; Baer, D. S.; Hanson, R. K.; Segall, J.

    1996-07-01

    A diode-laser sensor system based on absorption spectroscopy techniques has been developed to monitor CH4 nonintrusively in high-temperature environments. Fundamental spectroscopic parameters, including the line strengths of the transitions in the R(6) manifold of the 2 nu 3 band near 1.646 mu m, have been determined from high-resolution absorption measurements in a heated static cell. In addition, a corrected expression for the CH 4 partition function has been validated experimentally over the temperature range from 400 to 915 K. Potential applications of the diode-laser sensor system include process control, combustion measurements, and atmospheric monitoring.

  18. Atmospheric Measurements by Cavity Enhanced Absorption Spectroscopy

    NASA Astrophysics Data System (ADS)

    Yi, Hongming; Wu, Tao; Coeur-Tourneur, Cécile; Fertein, Eric; Gao, Xiaoming; Zhao, Weixiong; Zhang, Weijun; Chen, Weidong

    2015-04-01

    Since the last decade, atmospheric environmental monitoring has benefited from the development of novel spectroscopic measurement techniques owing to the significant breakthroughs in photonic technology from the UV to the infrared spectral domain [1]. In this presentation, we will overview our recent development and applications of cavity enhanced absorption spectroscopy techniques for in situ optical monitoring of chemically reactive atmospheric species (such as HONO, NO3, NO2, N2O5) in intensive campaigns [2] and/or in smog chamber studies [3]. These field deployments demonstrated that modern photonic technologies (newly emergent light sources combined with high sensitivity spectroscopic techniques) can provide a useful tool to improve our understanding of tropospheric chemical processes which affect climate, air quality, and the spread of pollution. Experimental detail and preliminary results will be presented. Acknowledgements. The financial support from the French Agence Nationale de la Recherche (ANR) under the NexCILAS (ANR-11-NS09-0002) and the CaPPA (ANR-10-LABX-005) contracts is acknowledged. References [1] X. Cui, C. Lengignon, T. Wu, W. Zhao, G. Wysocki, E. Fertein, C. Coeur, A. Cassez,L. Croisé, W. Chen, et al., "Photonic Sensing of the Atmosphere by absorption spectroscopy", J. Quant. Spectrosc. Rad. Transfer 113 (2012) 1300-1316 [2] T. Wu, Q. Zha, W. Chen, Z. XU, T. Wang, X. He, "Development and deployment of a cavity enhanced UV-LED spectrometer for measurements of atmospheric HONO and NO2 in Hong Kong", Atmos. Environ. 95 (2014) 544-551 [3] T. Wu, C. Coeur-Tourneur, G. Dhont,A. Cassez, E. Fertein, X. He, W. Chen,"Application of IBBCEAS to kinetic study of NO3 radical formation from O3 + NO2 reaction in an atmospheric simulation chamber", J. Quant. Spectrosc. Rad. Transfer 133 (2014)199-205

  19. Spectroscopic survey of LAMOST

    NASA Astrophysics Data System (ADS)

    Zhao, Yongheng

    2014-07-01

    LAMOST is a special reflecting Schmidt telescope. LAMOST breaks through the bottleneck of the large scale spectroscopic survey observation with both large aperture (effective aperture of 3.6 - 4.9m) and wide field of view (5 degrees). It is an innovative active reflecting Schmidt configuration achieved by changing mirror surface continuously to achieve a series different reflecting Schmidt system in different moments. By using the parallel controllable fiber positioning technique, the focal surface of 1.75 meters in diameter accommodates 4000 optical fibers. Also, LAMOST has 16 spectrographs with 32 CCD cameras. LAMOST is the telescope of the highest spectrum acquiring rate. As a national large scientific project, LAMOST project was proposed formally in 1996. The construction was started in 2001 and completed in 2008. After commission period, LAMOST pilot survey was started in October 2011 and spectroscopic survey began in September 2012. From October 2011 to June 2013, LAMOST has obtained more than 2 million spectra of celestial objects. There are 1.7 million spectra of stars, in which the stellar parameters (effective temperature, surface gravity, metalicitiy and radial velocity) of more than 1 million stars was obtained. In the first period of spectroscopic survey of LAMOST, 5 million of stellar spectra will be obtained and will make substantial contribution to the study of the stellar astrophysics and the structure of the Galaxy, such as the spheroid substructure of the Galaxy, the galactic gravitational potential and the distribution of the dark matter in the Galaxy, the extremely metal poor stars and hypervelocity stars, the 3D extinction in the Galaxy, the structure of thin and thick disks of the Galaxy, and so on.

  20. Influence of silver nanoparticles on the spectroscopic properties of Sm3+ doped boro-phosphate glasses

    NASA Astrophysics Data System (ADS)

    Suthanthirakumar, P.; Marimuthu, K.

    2016-05-01

    The Sm3+ doped novel boro-phosphate glasses containing silver nanoparticles (NPs) (SmBPxA) have been prepared following the melt quenching technique and their structural and spectroscopic behavior were studied through HR-TEM, optical absorption and photoluminescence spectral measurements. The TEM analysis validates the existence of Ag NPs with an average diameter of ~8 nm. The Surface plasmon resonance (SPR) band of silver NPs was found at around 600 nm from the absorption spectrum of the Sm3+ ions free glass sample. The optical band gap energy (Eopt) corresponding to the direct and indirect allowed transitions and the Urbach energy (ΔE) values were determined from the absorption spectral measurements. The luminescence intensity is found to get enhance when the Ag NPs were embedded along with the Sm3+ ions in the prepared glasses due to the local electric field effect around the rare earth (RE) ion site produced by the SPR of Ag NPs.

  1. Analysis of the Interaction of Dp44mT with Human Serum Albumin and Calf Thymus DNA Using Molecular Docking and Spectroscopic Techniques

    PubMed Central

    Xu, Zhongjie; Liu, Youxun; Zhou, Sufeng; Fu, Yun; Li, Changzheng

    2016-01-01

    Di-2-pyridylketone-4,4,-dimethyl-3-thiosemicarbazone (Dp44mT) exhibits significant antitumor activity. However, the mechanism of its pharmacological interaction with human serum albumin (HSA) and DNA remains poorly understood. Here, we aimed to elucidate the interactions of Dp44mT with HSA and DNA using MTT assays, spectroscopic methods, and molecular docking analysis. Our results indicated that addition of HSA at a ratio of 1:1 did not alter the cytotoxicity of Dp44mT, but did affect the cytotoxicity of the Dp44mT-Cu complex. Data from fluorescence quenching and UV-VIS absorbance measurements demonstrated that Dp44mT could bind to HSA with a moderate affinity (Ka = approximately 104 M−1). CD spectra revealed that Dp44mT could slightly disrupt the secondary structure of HSA. Dp44mT could also interact with Ct-DNA, but had a moderate binding constant (KEB = approximately 104 M−1). Docking studies indicated that the IB site of HSA, but not the IIA and IIIA sites, could be favorable for Dp44mT and that binding of Dp44mT to HSA involved hydrogen bonds and hydrophobic force, consistent with thermodynamic results from spectral investigations. Thus, the moderate binding affinity of Dp44mT with HSA and DNA partially contributed to its antitumor activity and may be preferable in drug design approaches. PMID:27376275

  2. Structure analysis and spectroscopic characterization of 2-Fluoro-3-Methylpyridine-5-Boronic Acid with experimental (FT-IR, Raman, NMR and XRD) techniques and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Alver, Özgür; Dikmen, Gökhan

    2016-03-01

    Possible stable conformers, geometrical molecular structures, vibrational properties as well as band assignments, nuclear magnetic shielding tensors of 2-Fluoro-3-Methylpyridine-5-Boronic Acid (2F3MP5BA) were studied experimentally and theoretically using FT-IR, Raman, (CP/MAS) NMR and XRD spectroscopic methods. FT-IR and Raman spectra were evaluated in the region of 3500-400 cm-1, and 3200-400 cm-1, respectively. The optimized geometric structures, vibrational wavenumbers and nuclear magnetic shielding tensors were examined using Becke-3-Lee-Yang-Parr (B3LYP) hybrid density functional theory method with 6-311++G(d, p) basis set. 1H, 13C NMR chemical shifts were calculated using the gauge invariant atomic orbital (GIAO) method. 1H, 13C, APT and HETCOR NMR experiments of title molecule were carried out in DMSO solution. 13C CP/MAS NMR measurement was done with 4 mm zirconium rotor and glycine was used as an external standard. Single crystal of 2F3MP5BA was also prepared for XRD measurements. Assignments of vibrational wavenumbers were also strengthened by calculating the total energy distribution (TED) values using scaled quantum mechanical (SQM) method.

  3. Scramjet Performance Assessment Using Water Absorption Diagnostics (U)

    NASA Technical Reports Server (NTRS)

    Cavolowsky, John A.; Loomis, Mark P.; Deiwert, George

    1995-01-01

    Simultaneous multiple path measurements of temperature and H2O concentration will be presented for the AIMHYE test entries in the NASA Ames 16-Inch Shock Tunnel. Monitoring the progress of high temperature chemical reactions that define scramjet combustor efficiencies is a task uniquely suited to nonintrusive optical diagnostics. One application strategy to overcome the many challenges and limitations of nonintrusive measurements is to use laser absorption spectroscopy coupled with optical fibers. Absorption spectroscopic techniques with rapidly tunable lasers are capable of making simultaneous measurements of mole fraction, temperature, pressure, and velocity. The scramjet water absorption diagnostic was used to measure combustor efficiency and was compared to thrust measurements using a nozzle force balance and integrated nozzle pressures to develop a direct technique for evaluating integrated scramjet performance. Tests were initially performed with a diode laser tuning over a water absorption feature at 1391.7 nm. A second diode laser later became available at a wavelength near 1343.3 nm covering an additional water absorption feature and was incorporated in the system for a two-wavelength technique. Both temperature and mole fraction can be inferred from the lineshape analysis using this approach. Additional high temperature spectroscopy research was conducted to reduce uncertainties in the scramjet application. The lasers are optical fiber coupled to ports at the combustor exit and in the nozzle region. The output from the two diode lasers were combined in a single fiber, and the resultant two-wavelength beam was subsequently split into four legs. Each leg was directed through 60 meters of optical fiber to four combustor exit locations for measurement of beam intensity after absorption by the water within the flow. Absorption results will be compared to 1D combustor analysis using RJPA and nozzle CFD computations as well as to data from a nozzle metric

  4. Spectroscopic survey of LAMOST

    NASA Astrophysics Data System (ADS)

    Zhao, Yongheng

    2015-08-01

    LAMOST is a special reflecting Schmidt telescope. LAMOST breaks through the bottleneck of the large scale spectroscopic survey observation with both large aperture (effective aperture of 3.6 - 4.9m) and wide field of view (5 degrees). It is an innovative active reflecting Schmidt configuration achieved by changing mirror surface continuously to achieve a series different reflecting Schmidt system in different moments. By using the parallel controllable fiber positioning technique, the focal surface of 1.75 meters in diameter accommodates 4000 optical fibers. Also, LAMOST has 16 spectrographs with 32 CCD cameras. LAMOST is the telescope of the highest spectrum acquiring rate.In the spectroscopic survey of LAMOST from October 2011 to June 2014, LAMOST has obtained more than 4.13 million spectra of celestial objects. There are 3.27 million spectra of stars, in which the stellar parameters of 2.16 million stars were obtained.In the five-year regular survey upto 2017, LAMOST will obtaine 5 million stellar spectra, which would make substantial contribution to the study of the stellar astrophysics and the structure of the Galaxy, such as the spheroid substructure of the Galaxy, the galactic gravitational potential and the distribution of the dark matter in the Galaxy, the extremely metal poor stars and hypervelocity stars, the 3D extinction in the Galaxy, the structure of thin and thick disks of the Galaxy, and so on.

  5. Spectral Fingerprinting of Individual Cells Visualized by Cavity-Reflection-Enhanced Light-Absorption Microscopy

    PubMed Central

    Arai, Yoshiyuki; Yamamoto, Takayuki; Minamikawa, Takeo; Takamatsu, Tetsuro; Nagai, Takeharu

    2015-01-01

    The absorption spectrum of light is known to be a “molecular fingerprint” that enables analysis of the molecular type and its amount. It would be useful to measure the absorption spectrum in single cell in order to investigate the cellular status. However, cells are too thin for their absorption spectrum to be measured. In this study, we developed an optical-cavity-enhanced absorption spectroscopic microscopy method for two-dimensional absorption imaging. The light absorption is enhanced by an optical cavity system, which allows the detection of the absorption spectrum with samples having an optical path length as small as 10 μm, at a subcellular spatial resolution. Principal component analysis of various types of cultured mammalian cells indicates absorption-based cellular diversity. Interestingly, this diversity is observed among not only different species but also identical cell types. Furthermore, this microscopy technique allows us to observe frozen sections of tissue samples without any staining and is capable of label-free biopsy. Thus, our microscopy method opens the door for imaging the absorption spectra of biological samples and thereby detecting the individuality of cells. PMID:25950513

  6. Spectral fingerprinting of individual cells visualized by cavity-reflection-enhanced light-absorption microscopy.

    PubMed

    Arai, Yoshiyuki; Yamamoto, Takayuki; Minamikawa, Takeo; Takamatsu, Tetsuro; Nagai, Takeharu

    2015-01-01

    The absorption spectrum of light is known to be a "molecular fingerprint" that enables analysis of the molecular type and its amount. It would be useful to measure the absorption spectrum in single cell in order to investigate the cellular status. However, cells are too thin for their absorption spectrum to be measured. In this study, we developed an optical-cavity-enhanced absorption spectroscopic microscopy method for two-dimensional absorption imaging. The light absorption is enhanced by an optical cavity system, which allows the detection of the absorption spectrum with samples having an optical path length as small as 10 μm, at a subcellular spatial resolution. Principal component analysis of various types of cultured mammalian cells indicates absorption-based cellular diversity. Interestingly, this diversity is observed among not only different species but also identical cell types. Furthermore, this microscopy technique allows us to observe frozen sections of tissue samples without any staining and is capable of label-free biopsy. Thus, our microscopy method opens the door for imaging the absorption spectra of biological samples and thereby detecting the individuality of cells.

  7. A model for oxygen-dependent backscattering spectroscopic contrast from single red blood cells (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Liu, Rongrong; Yi, Ji; Chen, Siyu; Zhang, Hao F.; Backman, Vadim

    2016-03-01

    The oxygen-dependent absorption of hemoglobin provides the fundamental contrast for all label-free techniques measuring blood oxygenation. When hemoglobin is packaged into red blood cells (RBCs), the structure of the cells creates light scattering which also depends on the absorption based on the Kramers-Kronig relationship. Thus a proper characterization of the optical behaviors of blood has been a key to any accurate measurement of blood oxygenation, particularly at the capillary level where RBCs are dispersed individually in contrast to a densely packed whole blood. Here we provided a theoretical model under Born Approximation to characterize the oxygen dependent backscattering spectroscopic contrast from single RBCs. Using this theoretical model, we conducted simulations on both oxygenated and deoxygenated single RBCs with different sizes for standard and possible deformed cell geometries in blood flow, all which suggested similar backscattering spectroscopic contrast and were confirmed by Mie Theory and experiments using visible Optical Coherence Tomography (visOCT). As long as the cell size satisfies Gaussian distribution with a coefficient variance (C.V.) large enough, there is clear absorption contrast between the backscattering spectra of oxygenated and deoxygenated single RBCs calculated by this model, so oxygen saturation can then be characterized. Thus, this theoretical model can be extended to extract absorption features of other scattering particles as long as they satisfy Born Approximation.

  8. Measurement of NH{sub 3} and HCN concentrations in a CFB boiler, a comparison between a conventional absorption and FTIR technique

    SciTech Connect

    Kassman, H.; Abul-Milh, M.; Aamand, L.E.

    1995-12-31

    The nitrogen oxides formed during fluidized bed combustion of coal originate from the nitrogen in the fuel. An important role for the formation is played by the fuel nitrogen in the volatiles. N{sub 2}O is assumed to be formed from cyano species, and NH{sub 3}-based compounds are mainly oxidized to N{sub 2} or NO. For this reason it is important to characterize the NH{sub 3} and HCN concentrations in a real boiler. However, there is a need for improvements of the methods used for determination of both NH{sub 3} and HCN in the combustion chamber in full-scale boilers. In this paper a conventional absorption technique for measurement of the NH{sub 3} and HCN concentrations is compared with a parallel measurement with Fourier Transform Infra Red spectroscopy (FTIR). The conventional method is based on a modification of a probe which was developed by the International Flame Research Foundation (IFRF) for NH{sub 3} and HCN determination in pulverized coal flames. The sample is quenched directly in the probe tip by a circulating trapper solution (H{sub 2}SO{sub 4} for NH{sub 3} and NaOH for HCN). The trapper solutions are analyzed with different analytical methods. The influence from the presence of another reducing nitrogen specie, HNCO, is also discussed. The FTIR technique is based on analysis of hot combustion gases withdrawn from the combustion chamber of the boiler. The tests gave similar concentrations of NH{sub 3} for both methods except for some positions at the bottom of the combustion chamber. The measured concentration of HCN was somewhat lower for the conventional method, but the results are within the analytical uncertainty.

  9. Application of internal standardization to rapid coprecipitation technique using lanthanum phosphate for flame atomic absorption spectrometric determination of iron and lead.

    PubMed

    Kagaya, Shigehiro; Malek, Zanariah Abdul; Araki, Yasuko; Hasegawa, Kiyoshi

    2002-08-01

    By applying an internal standardization, we could use a rapid coprecipitation technique using lanthanum phosphate as a coprecipitant for preconcentration of iron(III) and lead in their flame atomic absorption spectrometric determination. Indium as an internal standard was added to the initial sample solution together with lanthanum and phosphoric acid; the coprecipitation of iron(III) and lead was then carried out at pH about 3. After measuring the atomic absorbances of iron, lead, and indium in the final sample solution, we determined the contents of iron(III) and lead in the original sample solution by using the internal standardization with indium. In this method, complete collection of the precipitate was not required after the coprecipitation of iron(III), lead, and indium, because the ratio of the recovery of iron(III) or lead to that of indium was almost constant regardless of the recovery of the precipitate. This method was simple and rapid, and was available for the determination of 2-300 micrograms L-1 of iron(III) and 5-400 micrograms L-1 of lead in some water samples.

  10. An automated flow injection system for metal determination by flame atomic absorption spectrometry involving on-line fabric disk sorptive extraction technique.

    PubMed

    Anthemidis, A; Kazantzi, V; Samanidou, V; Kabir, A; Furton, K G

    2016-08-15

    A novel flow injection-fabric disk sorptive extraction (FI-FDSE) system was developed for automated determination of trace metals. The platform was based on a minicolumn packed with sol-gel coated fabric media in the form of disks, incorporated into an on-line solid-phase extraction system, coupled with flame atomic absorption spectrometry (FAAS). This configuration provides minor backpressure, resulting in high loading flow rates and shorter analytical cycles. The potentials of this technique were demonstrated for trace lead and cadmium determination in environmental water samples. The applicability of different sol-gel coated FPSE media was investigated. The on-line formed complex of metal with ammonium pyrrolidine dithiocarbamate (APDC) was retained onto the fabric surface and methyl isobutyl ketone (MIBK) was used to elute the analytes prior to atomization. For 90s preconcentration time, enrichment factors of 140 and 38 and detection limits (3σ) of 1.8 and 0.4μgL(-1) were achieved for lead and cadmium determination, respectively, with a sampling frequency of 30h(-1). The accuracy of the proposed method was estimated by analyzing standard reference materials and spiked water samples. PMID:27260436

  11. Structural studies of amorphous titanium diboride thin films by extended x-ray-absorption fine-structure and extended electron-energy-loss fine-structure techniques

    NASA Astrophysics Data System (ADS)

    Kaloyeros, Alain E.; Hoffman, Mark P.; Williams, Wendell S.; Greene, Alex E.; McMillan, Joyce A.

    1988-10-01

    The local atomic structure of amorphous titanium diboride thin films, prepared by electron-beam vaporization (EBV) of the crystalline compound onto liquid-nitrogen-cooled substrates, was studied using extended x-ray-absorption fine-structure (EXAFS) and extended energy-loss fine-structure (EXELFS) techniques. From a comparison of the extended fine-structure spectra of the amorphous films with corresponding spectra of crystalline titanium diboride, accurate information was derived on the nature of the local structure, or short-range order, and on the coordination numbers, interatomic distances, and nanostructural atomic disorder in amorphous TiB2. A relaxation of the interatomic spacing and a reduction of coordination number for the nearest-neighbor atoms was inferred for the amorphous state. Local prismatic coordination with random 90° rotations about prismatic planes is proposed as a likely atomic structure consistent with the data for the amorphous form. Finally, EXAFS and EXELFS were employed to examine in detail the structural changes induced in amorphous TiB2 by variations in the EBV deposition parameters, and to determine a set of optimized parameters for the EBV deposition of a TiB2 stable amorphous phase.

  12. Light emitting diode cavity enhanced differential optical absorption spectroscopy (LED-CE-DOAS): a novel technique for monitoring atmospheric trace gases

    NASA Astrophysics Data System (ADS)

    Thalman, Ryan M.; Volkamer, Rainer M.

    2009-08-01

    The combination of Cavity Enhanced Absorption Spectroscopy (CEAS) with broad-band light sources (e.g. Light- Emitting Diodes, LEDs) lends itself to the application of cavity enhanced DOAS (CE-DOAS) to perform sensitive and selective point measurements of multiple trace gases with a single instrument. In contrast to other broad-band CEAS techniques, CE-DOAS relies only on the measurement of relative intensity changes, i.e., does not require knowledge of the light intensity in the absence of trace gases and aerosols (I0). We have built a prototype LED-CE-DOAS instrument in the blue spectral range (420-490nm) to measure nitrogen dioxide (NO2), glyoxal (CHOCHO), iodine monoxide (IO), water (H2O) and oxygen dimers (O4). Aerosol extinction is retrieved at two wavelengths by means of observing water and O4 and measuring pressure, temperature and relative humidity independently. The instrument components are presented, and the approach to measure aerosol extinction is demonstrated by means of a set of experiments where laboratory generated monodisperse aerosols are added to the cavity. The aerosol extinction cross section agrees well with Mie calculations, demonstrating that our setup enables measurements of the above gases in open cavity mode.

  13. Quantifying uncertainty in measurement of mercury in suspended particulate matter by cold vapor technique using atomic absorption spectrometry with hydride generator.

    PubMed

    Singh, Nahar; Ahuja, Tarushee; Ojha, Vijay Narain; Soni, Daya; Tripathy, S Swarupa; Leito, Ivo

    2013-01-01

    As a result of rapid industrialization several chemical forms of organic and inorganic mercury are constantly introduced to the environment and affect humans and animals directly. All forms of mercury have toxic effects; therefore accurate measurement of mercury is of prime importance especially in suspended particulate matter (SPM) collected through high volume sampler (HVS). In the quantification of mercury in SPM samples several steps are involved from sampling to final result. The quality, reliability and confidence level of the analyzed data depends upon the measurement uncertainty of the whole process. Evaluation of measurement uncertainty of results is one of the requirements of the standard ISO/IEC 17025:2005 (European Standard EN IS/ISO/IEC 17025:2005, issue1:1-28, 2006). In the presented study the uncertainty estimation in mercury determination in suspended particulate matter (SPM) has been carried out using cold vapor Atomic Absorption Spectrometer-Hydride Generator (AAS-HG) technique followed by wet chemical digestion process. For the calculation of uncertainty, we have considered many general potential sources of uncertainty. After the analysis of data of seven diverse sites of Delhi, it has been concluded that the mercury concentration varies from 1.59 ± 0.37 to 14.5 ± 2.9 ng/m(3) with 95% confidence level (k = 2). PMID:24083104

  14. Local structure of germanium selenide glasses around the rigidity percolation threshold using atomic pair distribution function and X-ray absorption fine structure techniques

    NASA Astrophysics Data System (ADS)

    Shatnawi, Moneeb Taiseer

    A search for a structural response to a recently proposed self-organized and stress-free intermediate phase [1, 2] in semiconductor chalcogenide Ge xSe1-x glasses has been performed in this study. These glasses, according to the mean-field approach, undergo a structural phase transition from floppy to rigid network that occurs at a mean coordination number of 2.4. Based on thermodynamic and spectroscopic measurements, these glasses appear to exhibit two transitions instead of one [3]. The region between these transitions has been called the intermediate phase (IP) [3, 4]. The original theoretical work assumed that the network was generic and the connectivity random [5]. It was therefore suggested [1] that the IP phase is a region of finite width in composition where the network could self-organize in such a way that maintains a rigid but unstressed state. However, it has proved difficult to establish this result experimentally. High-resolution atomic pair distribution functions (PDF), derived from high energy synchrotron radiation, coupled with high-resolution X-ray absorption fine structure (XAFS) measurements on 18 compositions of well-prepared Ge xSe1-x glasses that span the range of the IP have been performed to elucidate aspects of rigidity percolation and the IP. These data sets are the most complete and the highest resolution data set on this system to date. Analysis of the structure functions (in reciprocal space) and the PDFs (in real space) as well as the XAFS data at both Ge and Se edges show no correlations with the IP. The network evolves smoothly without any break in slope or discontinuity that might be linked due to the IP. The results obtained in this study contradict previously published work [1, 2] that claim experimental evidence for a structural origin of the IP. The so-called first sharp diffraction peak (FSDP), which is a signature of the medium range order in these glasses, changes systematically with Ge content. It develops smoothly from a

  15. Application of Spectroscopic Techniques (FT-IR, 13C NMR) to the analysis of humic substances in volcanic soils along an environmental gradient (Tenerife, Canary Islands, Spain)

    NASA Astrophysics Data System (ADS)

    Rodriguez Rodriguez, Antonio; María Armas Herrera, Cecilia; González Pérez, José Antonio; González-Vila, Francisco Javier; Arbelo Rodríguez, Carmen Dolores; Mora Hernández, Juan Luis; Polvillo Polo, Oliva

    2010-05-01

    Andosols and andic soils are considered as efficient C-sinks in terms of C sequestration. These soils are usually developed from volcanic materials, and are characterized by a predominance of short-range ordered minerals like allophanes, imogolite and other Fe and Al oxyhydroxides. Such materials occur commonly associated with organic compounds, thus generating highly stable organo-mineral complexes and leading to the accumulation of a high amount of organic carbon. Spectroscopic methods like FT-IR and 13C NMR are suitable for the analysis of the chemical structure of soil humic substances, and allow identifying distinct functional groups and protein, lipids, lignin, carbohydrate-derived fragments. In this work we study the structural features of four soils developed on Pleistocene basaltic lavae in Tenerife (Canary Island, Spain), distributed along an altitudinal climatic gradient. The soil sequence comprises soils with different degree of geochemical evolution and andic character, including a mineral ‘Hypersalic Solonchak' (Tabaibal de Rasca), a slightly vitric ‘Luvic Phaeozem' (Los Frailes), a degraded and shallow ‘Endoleptic, fulvic, silandic Andosol' (Siete Lomas), and a well-developed and deep ‘Fulvic, silandic, Andosol' (Ravelo). Samples of the raw soil and humic and fulvic acids isolated from the surface horizons were analyzed. The results show a low content of organic carbon in the mineral soil, the inherited humin predominating, and a very high content of humic and fulvic acids in Andosols. The FT-IR and 13C NMR spectra of the raw soil samples show a low resolution, related to interferences from mineral complexes signals, particularly in soils with lower organic carbon content. 13C NMR shows a predominance of O-alkyl carbon (derived of carbohydrates) in andic soils, whereas O-alkyl and aromatic fractions are most evident in the mineral soil. The humic acids spectra are characterized by a dominance of alkyl and aromatic fractions with a high degree

  16. Monomeric and dimeric structures analysis and spectroscopic characterization of 3,5-difluorophenylboronic acid with experimental (FT-IR, FT-Raman, 1H and 13C NMR, UV) techniques and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Karabacak, Mehmet; Kose, Etem; Atac, Ahmet; Asiri, Abdullah M.; Kurt, Mustafa

    2014-01-01

    The spectroscopic properties of 3,5-difluorophenylboronic acid (3,5-DFPBA, C6H3F2B(OH)2) were investigated by FT-IR, FT-Raman UV-Vis, 1H and 13C NMR spectroscopic techniques. FT-IR (4000-400 cm-1) and FT-Raman spectra (3500-10 cm-1) in the solid phase and 1H and 13C NMR spectra in DMSO solution were recorded. The UV spectra that dissolved in ethanol and water were recorded in the range of 200-400 nm for each solution. The structural and spectroscopic data of the molecule have been obtained for possible three conformers from DFT (B3LYP) with 6-311++G(d,p) basis set calculations. The geometry of the molecule was fully optimized, vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. Hydrogen-bonded dimer of title molecule, optimized by counterpoise correction, was also studied B3LYP at the 6-311++G(d,p) level and the effects of molecular association through O-H⋯O hydrogen bonding have been discussed. 1H and 13C NMR chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, oscillator strength, wavelengths, HOMO and LUMO energies, were performed by time-dependent density functional theory (TD-DFT) results complements with the experimental findings. Total and partial density of state (TDOS and PDOS) and also overlap population density of state (OPDOS) diagrams analysis were presented. The effects due to the substitutions of boric acid group and halogen were investigated. The results of the calculations were applied to simulate spectra of the title compound, which show excellent agreement with observed spectra. Besides, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP), nonlinear optical properties (NLO) and thermodynamic features were performed.

  17. Spectroscopic analysis of pharmaceutical formulations through the use of chemometric tools

    NASA Astrophysics Data System (ADS)

    Ornelas-Soto, N.; Barbosa-García, O.; Meneses-Nava, M.; Ramos-Ortíz, G.; Pichardo-Molina, J.; Maldonado, J. L.; Contreras, U.; López-Martínez, L.; López-de-Alba, P.; López-Barajas, F.

    2009-09-01

    In this work, fast and reliable spectroscopic methods in combination with chemometric tools were developed for simultaneous determination of Acetylsalicylic Acid, Acetaminophen and Caffeine in commercial formulations. For the first-order multivariate calibration method (PLS-1), calibration and validation sets were constructed with 23 and 10 samples respectively according to a central composite design. The Micro-Raman, FTIR-HATR and UV absorption spectra in the region of 100-2000 cm-1, 400-4400 cm-1 and 200-350 nm, respectively, were recorded. The % REP's (Percentage of relative error of prediction) was less than 18 for all used spectroscopic techniques. Subsequently, commercial pharmaceutical samples were analyzed with percentage of recovery between 90 and 117% for the three compounds.

  18. High-definition Fourier transform infrared spectroscopic imaging of breast tissue

    NASA Astrophysics Data System (ADS)

    Leslie, L. Suzanne; Kadjacsy-Balla, Andre; Bhargava, Rohit

    2015-03-01

    Breast cancer diagnosis relies on staining serial sections of a biopsy in a process that can be time intensive and costly. Fourier transform infrared imaging (FT-IR) is a non-destructive, label-free chemical imaging technique that uses the vibrational structure of the biological molecules of the sample to provide contrast for images at any absorption peak in the mid-infrared. The full potential of spectroscopic imaging has been limited by the spatial resolution provided by most commercial instruments. By increasing the magnification and numerical aperture of the microscope, image pixel sizes on the order of 1.1 micron can be achieved, allowing HD FT-IR spectroscopic imaging to provide high quality images that could aid in histopathology, diagnosis, and studies of breast cancer progression.

  19. The HITRAN2012 molecular spectroscopic database

    NASA Astrophysics Data System (ADS)

    Rothman, L. S.; Gordon, I. E.; Babikov, Y.; Barbe, A.; Chris Benner, D.; Bernath, P. F.; Birk, M.; Bizzocchi, L.; Boudon, V.; Brown, L. R.; Campargue, A.; Chance, K.; Cohen, E. A.; Coudert, L. H.; Devi, V. M.; Drouin, B. J.; Fayt, A.; Flaud, J.-M.; Gamache, R. R.; Harrison, J. J.; Hartmann, J.-M.; Hill, C.; Hodges, J. T.; Jacquemart, D.; Jolly, A.; Lamouroux, J.; Le Roy, R. J.; Li, G.; Long, D. A.; Lyulin, O. M.; Mackie, C. J.; Massie, S. T.; Mikhailenko, S.; Müller, H. S. P.; Naumenko, O. V.; Nikitin, A. V.; Orphal, J.; Perevalov, V.; Perrin, A.; Polovtseva, E. R.; Richard, C.; Smith, M. A. H.; Starikova, E.; Sung, K.; Tashkun, S.; Tennyson, J.; Toon, G. C.; Tyuterev, Vl. G.; Wagner, G.

    2013-11-01

    This paper describes the status of the 2012 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2008 and its updates during the intervening years. The HITRAN molecular absorption compilation is comprised of six major components structured into folders that are freely accessible on the internet. These folders consist of 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, ultraviolet spectroscopic parameters, aerosol indices of refraction, collision-induced absorption data, 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, and validity. Molecules and isotopologues have been added that address the issues of atmospheres beyond the Earth. Also discussed is a new initiative that casts HITRAN into a relational database format that offers many advantages over the long-standing sequential text-based structure that has existed since the initial release of HITRAN in the early 1970s.

  20. XRF, μ-XRD and μ-spectroscopic techniques for revealing the composition and structure of paint layers on polychrome sculptures after multiple restorations.

    PubMed

    Franquelo, M L; Duran, A; Castaing, J; Arquillo, D; Perez-Rodriguez, J L

    2012-01-30

    This paper presents the novel application of recently developed analytical techniques to the study of paint layers on sculptures that have been restored/repainted several times across centuries. Analyses were performed using portable XRF, μ-XRD and μ-Raman instruments. Other techniques, such as optical microscopy, SEM-EDX and μ-FTIR, were also used. Pigments and other materials including vermilion, minium, red lac, ivory black, lead white, barium white, zinc white (zincite), titanium white (rutile and anatase), lithopone, gold and brass were detected. Pigments from both ancient and modern times were found due to the different restorations/repaintings carried out. μ-Raman was very useful to characterise some pigments that were difficult to determine by μ-XRD. In some cases, pigments identification was only possible by combining results from the different analytical techniques used in this work. This work is the first article devoted to the study of sculpture cross-section samples using laboratory-made μ-XRD systems.

  1. A Comparison of FTNMR and FTIR Techniques.

    ERIC Educational Resources Information Center

    Ahn, Myong-Ku

    1989-01-01

    Nuclear magnetic resonance and infrared are two spectroscopic methods that commonly use the Fourier transform technique. Discussed are the similarities and differences in the use of the Fourier transform in these two spectroscopic techniques. (CW)

  2. Spectroscopic studies on the photochemical decarboxylation mechanisms of synthetic pyrethroids.

    PubMed

    Suzuki, Yusuke; Ishizaka, Shoji; Kitamura, Noboru

    2012-12-01

    A novel radical trapping technique combined with a fluorescence spectroscopic analysis has been employed to investigate the radical intermediates produced by photodecarboxylation of four synthetic pyrethroids: fenvalerate (SMD), fenpropathrin (DTL), cyphenothrin (GKL), and cypermethrin (AGT). Under photoirradiation at >290 nm, all pyrethroids underwent direct photolysis via homolytic cleavage of the carbon-oxygen bonds in the ester groups. The consumed amount of a nitroxide free radical, as a trapping agent for the intermediate radical of a pyrethroid, was determined by ESR, which was the measure of the reaction yield of a photochemically generated α-cyano-3-phenoxybenzyl radical common to all pyrethroids. The reactivities of the pyrethroids studied was in the sequence of SMD > DTL > GKL > AGT. Furthermore, nanosecond transient absorption spectroscopy demonstrated that geminate recombination of the radical pair within a solvent cage is the main deactivation route of the photochemically generated α-cyano-3-phenoxybenzyl radical common for all pyrethroids studied.

  3. Spectroscopic Investigations of the Photophysics of Cryptophyte Light-Harvesting

    NASA Astrophysics Data System (ADS)

    Dinshaw, Rayomond

    The biological significance of photosynthesis is indisputable as it is necessary for nearly all life on earth. Photosynthesis provides chemical energy for plants, algae, and bacteria, while heterotrophic organisms rely on these species as their ultimate food source. The initial step in photosynthesis requires the absorption of sunlight to create electronic excitations. Light-harvesting proteins play the functional role of capturing solar radiation and transferring the resulting excitation to the reaction centers where it is used to carry out the chemical reactions of photosynthesis. Despite the wide variety of light-harvesting protein structures and arrangements, most light-harvesting proteins are able to utilize the captured solar energy for charge separation with near perfect quantum efficiency.1 This thesis will focus on understanding the energy transfer dynamics and photophysics of a specific subset of light-harvesting antennae known as phycobiliproteins. These proteins are extracted from cryptophyte algae and are investigated using steady-state and ultrafast spectroscopic techniques.

  4. On the sub-band gap optical absorption in heat treated cadmium sulphide thin film deposited on glass by chemical bath deposition technique

    SciTech Connect

    Chattopadhyay, P.; Karim, B.; Guha Roy, S.

    2013-12-28

    The sub-band gap optical absorption in chemical bath deposited cadmium sulphide thin films annealed at different temperatures has been critically analyzed with special reference to Urbach relation. It has been found that the absorption co-efficient of the material in the sub-band gap region is nearly constant up to a certain critical value of the photon energy. However, as the photon energy exceeds the critical value, the absorption coefficient increases exponentially indicating the dominance of Urbach rule. The absorption coefficients in the constant absorption region and the Urbach region have been found to be sensitive to annealing temperature. A critical examination of the temperature dependence of the absorption coefficient indicates two different kinds of optical transitions to be operative in the sub-band gap region. After a careful analyses of SEM images, energy dispersive x-ray spectra, and the dc current-voltage characteristics, we conclude that the absorption spectra in the sub-band gap domain is possibly associated with optical transition processes involving deep levels and the grain boundary states of the material.

  5. Review on VUV to MIR absorption spectroscopy of atmospheric pressure plasma jets

    NASA Astrophysics Data System (ADS)

    Reuter, Stephan; Santos Sousa, Joao; Stancu, Gabi Daniel; Hubertus van Helden, Jean-Pierre

    2015-10-01

    Absorption spectroscopy (AS) represents a reliable method for the characterization of cold atmospheric pressure plasma jets. The method’s simplicity stands out in comparison to competing diagnostic techniques. AS is an in situ, non-invasive technique giving absolute densities, free of calibration procedures, which other diagnostics, such as laser-induced fluorescence or optical emission spectroscopy, have to rely on. Ground state densities can be determined without the knowledge of the influence of collisional quenching. Therefore, absolute densities determined by absorption spectroscopy can be taken as calibration for other methods. In this paper, fundamentals of absorption spectroscopy are presented as an entrance to the topic. In the second part of the manuscript, a review of AS performed on cold atmospheric pressure plasma jets, as they are used e.g. in the field of plasma medicine, is presented. The focus is set on special techniques overcoming not only the drawback of spectrally overlapping absorbing species, but also the line-of-sight densities that AS usually provides or the necessity of sufficiently long absorption lengths. Where references are not available for measurements on cold atmospheric pressure plasma jets, other plasma sources including low-pressure plasmas are taken as an example to give suggestions for possible approaches. The final part is a table summarizing examples of absorption spectroscopic measurements on cold atmospheric pressure plasma jets. With this, the paper provides a ‘best practice’ guideline and gives a compendium of works by groups performing absorption spectroscopy on cold atmospheric pressure plasma jets.

  6. Novel, near-infrared spectroscopic, label-free, techniques to assess bone abnormalities such as Paget's disease, osteoporosis and bone fractures

    NASA Astrophysics Data System (ADS)

    Sordillo, Diana C.; Sordillo, Laura A.; Shi, Lingyan; Budansky, Yury; Sordillo, Peter P.; Alfano, Robert R.

    2015-02-01

    Near- infrared (NIR) light with wavelengths from 650 nm to 950 nm (known as the first NIR window) has conventionally been used as a non-invasive technique that can reach deeper penetration depths through media than light at shorter wavelengths. Recently, several novel, NIR, label-free, techniques have been developed to assess Paget's disease of bone, osteoporosis and bone microfractures. We designed a Bone Optical Analyzer (BOA) which utilizes the first window to measure changes of Hb and HbO2. Paget's disease is marked by an increase in vascularization in bones, and this device can enable easy diagnosis and more frequent monitoring of the patient's condition, without exposing him to a high cumulative dose of radiation. We have also used inverse imaging algorithms to reconstruct 2D and 3D maps of the bone's structure. This device could be used to assess diseases such as osteoporosis. Using 800 nm femtosecond excitation with two-photon (2P) microscopy, we acquired 2PM images of the periosteum and spatial frequency spectra (based on emission of collagen) from the periosteal regions. This technique can provide information on the structure of the periosteum and can detect abnormalities which may be an indication of disease. Most recently, we showed that longer NIR wavelengths in the second and third NIR windows (1100 nm-1350 nm, 1600 nm-1870 nm), could be used to image bone microfractures. Use of NIR light could allow for repeated studies in patients with diseases such as Paget's and osteoporosis quickly and non-invasively, and could impact the current management for these diseases.

  7. Elemental and spectroscopic characterization of plasters from Fatih Mosque-Istanbul (Turkey) by combined micro-Raman, FTIR and EDXRF techniques.

    PubMed

    Akyuz, Tanil; Akyuz, Sevim; Gulec, Ahmet

    2015-10-01

    The characterization of the plasters and coloring agents of the wall paintings of Fatih Mosque have been performed using combined micro-Raman, FTIR and EDXRF techniques. The investigations show that the plaster used on the walls has mixed gypsum-lime binders. Cinnabar {HgS}, lead red {Pb3O4} and hematite {α-Fe2O3} were identified in the red surfaces. Blue color is attributed to ultramarine blue {Na8-10Al6Si6O24S2-4}. Green color is assigned to mixtures of green earth, copper phthalocyanine {Cu(C32Cl16N8)} and brochantite {CuSO4·3Cu(OH)2}. Strontium yellow {SrCrO4} and zinc white {ZnO} were also used to ensure the color tone. The results provide a basis for future restoration of wall paints. PMID:25989612

  8. An investigation of the chemical and physical properties of pristine, electrochromically damaged, and photochromically damaged KTiOPO{sub 4} (KTP) using surface analytical and optical spectroscopic techniques

    SciTech Connect

    Quagliano, J.R.; Petrin, R.R.; Trujillo, T.C.; Cockroft, N.J.; Paffett, M.T.; Maggiore, C.J.; Jacco, J.C.

    1995-03-01

    A variety of experimental techniques were employed to study the properties of electrochromically (EC) damaged, photochromically (PC) damaged, and pristine KTiOP0{sub 4} (KTP). Additionally, nonlinear optical calculations were performed to complement the experimental work in an effort to elucidate the respective mechanisms operative in producing EC and PC damage to KTP. Several independent experiments indicate that there is Ti deficiency in the EC damaged material, which is due to migration of these ions to the electrode surface. The laser experiments indicate that UV radiation can produce reversible PC damage. UV-producing SFG processes accidentally occurring in SHG cut KTP may lead to macroscopic damage. It must be emphasized that a fundamentally different mechanism is responsible for EC damaged versus PC damaged KTP.

  9. Spectroscopic optical coherence elastography

    PubMed Central

    Adie, Steven G.; Liang, Xing; Kennedy, Brendan F.; John, Renu; Sampson, David D.; Boppart, Stephen A.

    2010-01-01

    We present an optical technique to image the frequency-dependent complex mechanical response of a viscoelastic sample. Three-dimensional hyperspectral data, comprising two-dimensional B-mode images and a third dimension corresponding to vibration frequency, were acquired from samples undergoing external mechanical excitation in the audio-frequency range. We describe the optical coherence tomography (OCT) signal when vibration is applied to a sample and detail the processing and acquisition techniques used to extract the local complex mechanical response from three-dimensional data that, due to a wide range of vibration frequencies, possess a wide range of sample velocities. We demonstrate frequency-dependent contrast of the displacement amplitude and phase of a silicone phantom containing inclusions of higher stiffness. Measurements of an ex vivo tumor margin demonstrate distinct spectra between adipose and tumor regions, and images of displacement amplitude and phase demonstrated spatially-resolved contrast. Contrast was also observed in displacement amplitude and phase images of a rat muscle sample. These results represent the first demonstration of mechanical spectroscopy based on B-mode OCT imaging. Spectroscopic optical coherence elastography (S-OCE) provides a high-resolution imaging capability for the detection of tissue pathologies that are characterized by a frequency-dependent viscoelastic response. PMID:21164898

  10. Spectroscopic optical coherence elastography.

    PubMed

    Adie, Steven G; Liang, Xing; Kennedy, Brendan F; John, Renu; Sampson, David D; Boppart, Stephen A

    2010-12-01

    We present an optical technique to image the frequency-dependent complex mechanical response of a viscoelastic sample. Three-dimensional hyperspectral data, comprising two-dimensional B-mode images and a third dimension corresponding to vibration frequency, were acquired from samples undergoing external mechanical excitation in the audio-frequency range. We describe the optical coherence tomography (OCT) signal when vibration is applied to a sample and detail the processing and acquisition techniques used to extract the local complex mechanical response from three-dimensional data that, due to a wide range of vibration frequencies, possess a wide range of sample velocities. We demonstrate frequency-dependent contrast of the displacement amplitude and phase of a silicone phantom containing inclusions of higher stiffness. Measurements of an ex vivo tumor margin demonstrate distinct spectra between adipose and tumor regions, and images of displacement amplitude and phase demonstrated spatially-resolved contrast. Contrast was also observed in displacement amplitude and phase images of a rat muscle sample. These results represent the first demonstration of mechanical spectroscopy based on B-mode OCT imaging. Spectroscopic optical coherence elastography (S-OCE) provides a high-resolution imaging capability for the detection of tissue pathologies that are characterized by a frequency-dependent viscoelastic response. PMID:21164898

  11. X-ray absorption spectroscopic evidence for binding of the competitive inhibitor 2-mercaptoethanol to the nickel sites of Jack bean urease. A new Ni-Ni interaction in the inhibited enzyme

    SciTech Connect

    Clark, P.A.; Wilcox, D.E. ); Scott, R.A. )

    1990-02-21

    The enzyme Jack bean urease has been identified as the first nickel-containing metalloenzyme to catalyze the hydrolysis of urea to carbon dioxide and ammonia. Competitive inhibitors such as 2-mercaptoethanol (2-ME) have been shown to dramatically affect the ground-state electronic properties of the urease Ni(II) ions. Results of preliminary structural investigations using x-ray absorption spectroscopy of the nickel salts of urease in its native and 2-ME bound forms are presented. The binding of 2-ME to Ni(II) through the thiolate sulfur is confirmed by the results of this study. 17 refs., 2 figs., 2 tabs.

  12. Spatially resolved gas phase composition measurements in supersonic flows using tunable diode laser absorption spectroscopy.

    PubMed

    Paci, Paolo; Zvinevich, Yury; Tanimura, Shinobu; Wyslouzil, Barbara E; Zahniser, Mark; Shorter, Joanne; Nelson, David; McManus, Barry

    2004-11-22

    We used a tunable diode laser absorption spectrometer to follow the condensation of D(2)O in a supersonic Laval nozzle. We measured both the concentration of the condensible vapor and the spectroscopic temperature as a function of position and compared the results to those inferred from static pressure measurements. Upstream and in the early stages of condensation, the quantitative agreement between the different experimental techniques is good. Far downstream, the spectroscopic results predict a lower gas phase concentration, a higher condensate mass fraction, and a higher temperature than the pressure measurements. The difference between the two measurement techniques is consistent with a slight compression of the boundary layers along the nozzle walls during condensation. PMID:15549871

  13. The HITRAN 2008 Molecular Spectroscopic Database

    NASA Technical Reports Server (NTRS)

    Rothman, Laurence S.; Gordon, Iouli E.; Barbe, Alain; Benner, D. Chris; Bernath, Peter F.; Birk, Manfred; Boudon, V.; Brown, Linda R.; Campargue, Alain; Champion, J.-P.; Chance, Kelly V.; Coudert, L. H.; Sung, K.; Toth, R. A.

    2009-01-01

    This paper describes the status of the 2008 edition of the HITRAN molecular spectroscopic database. The new edition is the first official public release since the 2004 edition, although a number of crucial updates had been made available online since 2004. The HITRAN compilation consists of several components that serve as input for radiative-transfer calculation codes: individual line parameters for the microwave through visible spectra of molecules in the gas phase; absorption cross-sections for molecules having dense spectral features, i.e., spectra in which the individual lines are not resolved; individual line parameters and absorption cross sections for bands in the ultra-violet; refractive indices of aerosols, tables and files of general properties associated with the database; and database management software. The line-by-line portion of the database contains spectroscopic parameters for forty-two molecules including many of their isotopologues.

  14. Spectroscopic (FT-IR, FT-Raman, UV absorption, 1H and 13C NMR) and theoretical (in B3LYP/6-311++G** level) studies on alkali metal salts of caffeic acid

    NASA Astrophysics Data System (ADS)

    Świsłocka, Renata

    The effect of some metals on the electronic system of benzoic and nicotinic acids has recently been investigated by IR, Raman and UV spectroscopy [1-3]. Benzoic and nicotinic acids are regarded model systems representing a wide group of aromatic ligands which are incorporated into enzymes. In this work the FT-IR (in solid state and in solution), FT-Raman, UV absorption and 1H and 13C NMR spectra of caffeic acid (3,4-dihydroxycinnamic acid) and its salts with lithium, sodium, potassium, rubidium and caesium were registered, assigned and analyzed. The effect of alkali metals on the electronic system of ligands was discussed. Studies of differences in the number and position of bands from the IR, Raman, UV absorption spectra and chemical shifts from NMR spectra allowed to conclude on the distribution of electronic charge in the molecules, the delocalization energy of π electrons and the reactivity of ligands in metal complexes. Optimized geometrical structures of studied compounds were calculated by B3LYP method using 6-311++G** basis set. Bond lengths, angles and dipole moments for the optimized structures of caffeic acid and lithium, sodium, potassium caffeinates were also calculated. The theoretical wavenumbers and intensities of IR spectra were obtained. The calculated parameters were compared to the experimental characteristics of investigated compounds. Microbial activity of studied compounds was tested against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus and Proteus vulgaris.

  15. Experimental quantification of useful and parasitic absorption of light in plasmon-enhanced thin silicon films for solar cells application

    PubMed Central

    Morawiec, Seweryn; Holovský, Jakub; Mendes, Manuel J.; Müller, Martin; Ganzerová, Kristina; Vetushka, Aliaksei; Ledinský, Martin; Priolo, Francesco; Fejfar, Antonin; Crupi, Isodiana

    2016-01-01

    A combination of photocurrent and photothermal spectroscopic techniques is applied to experimentally quantify the useful and parasitic absorption of light in thin hydrogenated microcrystalline silicon (μc-Si:H) films incorporating optimized metal nanoparticle arrays, located at the rear surface, for improved light trapping via resonant plasmonic scattering. The photothermal technique accounts for the total absorptance and the photocurrent signal accounts only for the photons absorbed in the μc-Si:H layer (useful absorptance); therefore, the method allows for independent quantification of the useful and parasitic absorptance of the plasmonic (or any other) light trapping structure. We demonstrate that with a 0.9 μm thick absorber layer the optical losses related to the plasmonic light trapping in the whole structure are insignificant below 730 nm, above which they increase rapidly with increasing illumination wavelength. An average useful absorption of 43% and an average parasitic absorption of 19% over 400–1100 nm wavelength range is measured for μc-Si:H films deposited on optimized self-assembled Ag nanoparticles coupled with a flat mirror (plasmonic back reflector). For this sample, we demonstrate a significant broadband enhancement of the useful absorption resulting in the achievement of 91% of the maximum theoretical Lambertian limit of absorption. PMID:26935322

  16. Experimental quantification of useful and parasitic absorption of light in plasmon-enhanced thin silicon films for solar cells application.

    PubMed

    Morawiec, Seweryn; Holovský, Jakub; Mendes, Manuel J; Müller, Martin; Ganzerová, Kristina; Vetushka, Aliaksei; Ledinský, Martin; Priolo, Francesco; Fejfar, Antonin; Crupi, Isodiana

    2016-01-01

    A combination of photocurrent and photothermal spectroscopic techniques is applied to experimentally quantify the useful and parasitic absorption of light in thin hydrogenated microcrystalline silicon (μc-Si:H) films incorporating optimized metal nanoparticle arrays, located at the rear surface, for improved light trapping via resonant plasmonic scattering. The photothermal technique accounts for the total absorptance and the photocurrent signal accounts only for the photons absorbed in the μc-Si:H layer (useful absorptance); therefore, the method allows for independent quantification of the useful and parasitic absorptance of the plasmonic (or any other) light trapping structure. We demonstrate that with a 0.9 μm thick absorber layer the optical losses related to the plasmonic light trapping in the whole structure are insignificant below 730 nm, above which they increase rapidly with increasing illumination wavelength. An average useful absorption of 43% and an average parasitic absorption of 19% over 400-1100 nm wavelength range is measured for μc-Si:H films deposited on optimized self-assembled Ag nanoparticles coupled with a flat mirror (plasmonic back reflector). For this sample, we demonstrate a significant broadband enhancement of the useful absorption resulting in the achievement of 91% of the maximum theoretical Lambertian limit of absorption. PMID:26935322

  17. Experimental quantification of useful and parasitic absorption of light in plasmon-enhanced thin silicon films for solar cells application.

    PubMed

    Morawiec, Seweryn; Holovský, Jakub; Mendes, Manuel J; Müller, Martin; Ganzerová, Kristina; Vetushka, Aliaksei; Ledinský, Martin; Priolo, Francesco; Fejfar, Antonin; Crupi, Isodiana

    2016-03-03

    A combination of photocurrent and photothermal spectroscopic techniques is applied to experimentally quantify the useful and parasitic absorption of light in thin hydrogenated microcrystalline silicon (μc-Si:H) films incorporating optimized metal nanoparticle arrays, located at the rear surface, for improved light trapping via resonant plasmonic scattering. The photothermal technique accounts for the total absorptance and the photocurrent signal accounts only for the photons absorbed in the μc-Si:H layer (useful absorptance); therefore, the method allows for independent quantification of the useful and parasitic absorptance of the plasmonic (or any other) light trapping structure. We demonstrate that with a 0.9 μm thick absorber layer the optical losses related to the plasmonic light trapping in the whole structure are insignificant below 730 nm, above which they increase rapidly with increasing illumination wavelength. An average useful absorption of 43% and an average parasitic absorption of 19% over 400-1100 nm wavelength range is measured for μc-Si:H films deposited on optimized self-assembled Ag nanoparticles coupled with a flat mirror (plasmonic back reflector). For this sample, we demonstrate a significant broadband enhancement of the useful absorption resulting in the achievement of 91% of the maximum theoretical Lambertian limit of absorption.

  18. Thermal inkjet application in the preparation of oral dosage forms: dispensing of prednisolone solutions and polymorphic characterization by solid-state spectroscopic techniques.

    PubMed

    Meléndez, Peter A; Kane, Kevin M; Ashvar, Claudine S; Albrecht, Mary; Smith, Pamela A

    2008-07-01

    The utility of thermal inkjet (TIJ) technology for preparing solid dosage forms of drugs was examined. Solutions of prednisolone in a solvent mixture of ethanol, water, and glycerol (80/17/3 by volume) were dispensed onto poly(tetrafluoroethylene)-coated fiberglass films using TIJ cartridges and a personal printer and using a micropipette for comparison. The post-dried, TIJ-dispensed samples were shown to contain a mixture of prednisolone Forms I and III based on PXRD analyses that were confirmed by Raman analyses. The starting commercial material was determined to be Form I. Samples prepared by dispensing the solution from a micropipette initially showed only Form I; subsequent Raman mapping of these samples revealed the presence of two polymorphs. Raman mapping of the TIJ-dispensed samples also showed both polymorphs. The results indicate that the solvent mixture used in the dispensing solution combined with the thermal treatment of the samples after dispensing were likely the primary reason for the generation of the two polymorphs. The advantages of using a multidisciplinary approach to characterize drug delivery systems are demonstrated using solid state mapping techniques. Both PXRD and Raman spectroscopy were needed to fully characterize the samples. Finally, this report clarifies prednisolone's polymorphic nomenclature existent in the scientific literature.

  19. The Fast Spiral-SelMQC Technique for In Vivo MR Spectroscopic Imaging of Polyunsaturated Fatty Acids (PUFA) in Human Breast Tissue‡

    PubMed Central

    Zhu, He; Rubin, Denis; He, Qiuhong

    2011-01-01

    The Selective Multiple-Quantum Coherence Transfer (Sel-MQC) method has been applied to image polyunsaturated fatty acids (PUFA) distributions in human breast tissues in vivo for cancer detection, with complete suppression of the unwanted lipid and water signals in a single scan. The Cartesian k-space mapping of PUFA in vivo using the Sel-MQC CSI technique, however, requires excessive MR scan time. In this article, we report a fast Spiral-SelMQC sequence employing a rapid spiral k-space sampling scheme. The Spiral-SelMQC images of PUFA distribution in human breast were acquired using two-interleaved spirals on a 3T GE Signa MRI scanner. Approximately 160-fold reduction of acquisition time was observed as compared to the corresponding Sel-MQC CSI method with an equivalent number of scans, permitting acquisition of high-resolution PUFA images in minutes. The reconstructed Spiral-SelMQC PUFA images of human breast tissues achieved a sub-millimeter resolution of 0.54×0.54 or 0.63×0.63mm2/pixel for FOV = 14 or 16cm, respectively. The Spiral-SelMQC parameters for PUFA detection were optimized in 2D Sel-MQC experiments to suppress monounsaturated fatty acids (MUFA) and other lipid signals. The fast in vivo Spiral-SelMQC imaging method will be applied to study human breast cancer and other human diseases in extracranial organs. PMID:22028250

  20. Characterization of the deterioration of bone black in the 17 th century Oranjezaal paintings using electron-microscopic and micro-spectroscopic imaging techniques

    NASA Astrophysics Data System (ADS)

    van Loon, Annelies; Boon, Jaap J.

    2004-10-01

    A whitish deterioration product was observed on the dark paint in a number of large-scale oil paintings that are part of the Oranjezaal interior decoration in the Royal Palace Huis ten Bosch (The Hague). The whitened areas of a painting by Pieter Soutman dating from 1648 were micro-sampled and compared with "healthy" black paint using different analytical imaging techniques. The dark paint was identified as bone black in linseed oil with a lead drier added. Microscopic images of the cross-section revealed a white top layer of 10-20 μm in the black paint layer. Imaging the cross-section surface with scanning electron microscopy with energy dispersive X-ray analysis (SEM-EDX) and specular reflection Fourier transform infrared (FTIR) showed homogeneous distributions of phosphate, phosphorus and calcium over the black and the white degraded bone black. X-ray diffraction (XRD) showed the presence of calcium phosphate hydrate (Ca 3(PO 4) 2· xH 2O), monetite (CaHPO 4) with possibly some poorly crystalline or amorphous hydroxyapatite (Ca 5(OH)(PO 4) 3). The EDX maps of lead and carbon, however, showed some discontinuity between the degraded and non-degraded bone black. There was an increase in the lead concentration in the white top layer, and a slight decrease of carbon. Transmission FTIR demonstrated that aromatic network polymers from the carbon black are markedly diminished in the white deterioration product. It is proposed that the carbonized organic matter in the bone black is vulnerable to photo bleaching in the presence of a lead catalyst under these circumstances.

  1. High Definition Infrared Spectroscopic Imaging for Lymph Node Histopathology

    PubMed Central

    Leslie, L. Suzanne; Wrobel, Tomasz P.; Mayerich, David; Bindra, Snehal; Emmadi, Rajyasree; Bhargava, Rohit

    2015-01-01

    Chemical imaging is a rapidly emerging field in which molecular information within samples can be used to predict biological function and recognize disease without the use of stains or manual identification. In Fourier transform infrared (FT-IR) spectroscopic imaging, molecular absorption contrast provides a large signal relative to noise. Due to the long mid-IR wavelengths and sub-optimal instrument design, however, pixel sizes have historically been much larger than cells. This limits both the accuracy of the technique in identifying small regions, as well as the ability to visualize single cells. Here we obtain data with micron-sized sampling using a tabletop FT-IR instrument, and demonstrate that the high-definition (HD) data lead to accurate identification of multiple cells in lymph nodes that was not previously possible. Highly accurate recognition of eight distinct classes - naïve and memory B cells, T cells, erythrocytes, connective tissue, fibrovascular network, smooth muscle, and light and dark zone activated B cells was achieved in healthy, reactive, and malignant lymph node biopsies using a random forest classifier. The results demonstrate that cells currently identifiable only through immunohistochemical stains and cumbersome manual recognition of optical microscopy images can now be distinguished to a similar level through a single IR spectroscopic image from a lymph node biopsy. PMID:26039216

  2. Growth and spectroscopic properties of samarium oxalate single crystals

    NASA Astrophysics Data System (ADS)

    Vimal, G.; Mani, Kamal P.; Jose, Gijo; Biju, P. R.; Joseph, Cyriac; Unnikrishnan, N. V.; Ittyachen, M. A.

    2014-10-01

    Single crystals of samarium oxalate decahydrate were synthesized using single diffusion gel technique and the conditions influencing the size, shape and quality were optimized. Highly transparent crystals of size 3×2×1 mm3 with a well defined hexagonal morphology were grown during a time period of two weeks. X ray powder diffraction analysis revealed that the grown crystals crystallize in the monoclinic system with space group P21/c and the proposed chemical formula and linkage of water molecules were confirmed using thermogravimetric analysis. The various functional groups of the oxalate ligand and the water of crystallization were identified by Fourier transform infrared spectroscopy. Spectroscopic investigations such as electric dipole transition probability, magnetic dipole transition probability and branching ratios of all possible transitions from 4G5/2 level of Sm3+ ions were estimated from the absorption spectra using JO theory. The spectroscopic analysis suggested that the crystal has a strong and efficient orange red emission. This is confirmed from the photoluminescence spectrum with a wavelength peak at 595 nm and hence this promising emission can be effectively used for optical amplification.

  3. Optical Spectroscopic Monitoring of Parachute Yarn Aging

    SciTech Connect

    Tallant, D.R.; Garcia, M.J.; Simpson, R.L.; Behr, V.L.; Whinery, L.D.; Peng, L.W.

    1999-04-01

    Optical spectroscopic techniques were evaluated as nondestructive monitors of the aging of parachutes in nuclear weapons. We analyzed thermally aged samples of nylon and Kevlar webbing by photoluminescence spectroscopy and reflection spectroscopy. Infrared analysis was also performed to help understand the degradation mechanisms of the polymer materials in the webbing. The photoluminescence and reflection spectra were analyzed by chemometric data treatment techniques to see if aged-induced changes in the spectra correlated to changes in measured tensile strength. A correlation was found between the shapes of the photoluminescent bands and the measured tensile strengths. Photoluminescent spectra can be used to predict the tensile strengths of nylon and Kevlar webbing with sufficient accuracy to categorize the webbing sample as above rated tensile strength, marginal or below rated tensile strength. The instrumentation required to perform the optical spectroscopic measurement can be made rugged, compact and portable. Thus, optical spectroscopic techniques offer a means for nondestructive field monitoring of parachutes in the enduring stockpile/

  4. X-ray absorption spectroscopic study of chemically and electrochemically Li ion extracted Li{sub y}Co{sub 0.85}Al{sub 0.15}O{sub 2} compounds

    SciTech Connect

    Kim, M.G.; Yo, C.H.

    1999-08-05

    The local structure refinements for chemically and electrochemically Li ion extracted Li{sub y}Co{sub 0.85}Al{sub 0.15}O{sub 2} compounds have been investigated by Co K-edge X-ray absorption spectroscopy. In the X-ray absorption near-edge structure (XANES), the 1s {r_arrow} 3d transition at {approximately} 7,709.9 eV and 1s {r_arrow} 4p transition at {approximately} 7,727.8 eV for the pristine LiCo{sub 0.85}Al{sub 0.15}O{sub 2} have shifted effectively to higher energy regions of {approximately} 0.6 eV and {approximately} 2.5 eV for the higher Li ion extraction, respectively, which shows that the average oxidation state of Co ion increases gradually with the extraction. The systematic variations of peak intensities for the 1s {r_arrow} 3d transition and 1s {r_arrow} 4p transition result from Co 3d and 4p orbital mixing by the local structure distortion around Co atoms. In particular, the abrupt decrease of peak intensity for 1s {r_arrow} 4p transition with shakedown process by ligand to metal charge transfer (LMCT) represents the transfer of the hole state from the oxygen to Co atom and the localization at the Co atomic site as a form of Co{sup IV} ion by structural distortion. The XANES features for the electrochemical extraction have shown that the electrochemical redox reaction is always not reversible in the Li ion extraction/insertion process. From the extended X-ray absorption fine structure (EXAFS) refinement, the interatomic distances of bond pairs decrease for the Li ion extraction. The chemical and electrochemical extractions have a significant effect on Fourier transform (FT) magnitude, which decreases linearly with the extraction. Since single and multiple scatterings with Co atoms have predominantly contributed to the FT magnitudes, the systematic decrease of FT magnitude is closely related to the static disorder of two different oxidative Co{sup III} and Co{sup IV} ions. This fact is consistent with the increase of the Debye-Waller factor for each

  5. Development of a Triplet-Triplet Absorption Ruler: DNA- and Chromatin-Mediated Drug Molecule Release from a Nanosurface.

    PubMed

    Chakraborty, Sudeshna Das; Sau, Abhishek; Kuznetsov, Denis V; Banerjee, Amrita; Bardhan, Munmun; Bhattacharya, Maireyee; Dasgupta, Dipak; Basu, Samita; Senapati, Dulal

    2016-07-14

    Triplet-triplet (T-T) absorption spectroscopy has been used successfully as a molecular ruler to understand the actual release process of sanguinarine as a drug molecule from a gold nanoparticle surface in the presence of cell components, that is, DNA and chromatin. The obtained results have been verified by fluorescence and surface-enhanced Raman spectroscopy (SERS), and a plausible explanation has been put forward to describe the underestimation and overestimation of the percentage (%) of the release of drug molecules measured by fluorescence- and SERS-based techniques, respectively, over the highlighted T-T absorption spectroscopy. Because of the intrinsic nature of absorption, the reported T-T absorption spectroscopic assay overpowers fluorescence- and SERS-based assays, which are limited by the long-range interaction and nonlinear dependence of the concentration of analytes, respectively. PMID:27284775

  6. Studying Velocity Turbulence from Doppler-broadened Absorption Lines: Statistics of Optical Depth Fluctuations

    SciTech Connect

    Lazarian, A.; Pogosyan, D.

    2008-10-10

    We continue our work on developing techniques for studying turbulence with spectroscopic data. We show that Doppler-broadened absorption spectral lines, in particular, saturated absorption lines, can be used within the framework of the previously introduced technique termed the velocity coordinate spectrum (VCS). The VCS relates the statistics of fluctuations along the velocity coordinate to the statistics of turbulence; thus, it does not require spatial coverage by sampling directions in the plane of the sky. We consider lines with different degree of absorption and show that for lines of optical depth less than one, our earlier treatment of the VCS developed for spectral emission lines is applicable, if the optical depth is used instead of intensity. This amounts to correlating the logarithms of absorbed intensities. For larger optical depths and saturated absorption lines, we show that only wings of the line are available for the analysis. In terms of the VCS formalism, this results in introducing an additional window, whose size decreases with the increase of the optical depth. As a result, strongly saturated absorption lines only carry the information about the small-scale turbulence. Nevertheless, the contrast of the fluctuations corresponding to the small-scale turbulence increases with the increase of the optical depth, which provides advantages for studying turbulence by combining lines with different optical depths. By combining different absorption lines one can develop a tomography of the turbulence in the interstellar gas in all its complexity.

  7. Capric Acid Absorption in the Presence of Hydroxypropyl-β-Cyclodextrin in the Rat Ileum using the In Situ Single-Pass Perfusion Technique.

    PubMed

    Hymas, Richard V; Ho, Norman F H; Higuchi, William I

    2015-09-01

    The purpose of the present study was to gain quantitative mechanistic insight into the role cyclodextrin carriers may play in the intestinal absorption of highly lipophilic molecules. The physical model approach was employed to investigate capric acid absorption in the rat ileum using the in situ single-pass method with 2-hydroxypropyl-β-cyclodextrin (HPB) present in the perfusate. Two physical models were examined: the flat surface model in which the intestinal wall was treated as a hollow, smooth, circular cylinder, and the villus model in which the intestinal surface allowed for the presence of villi. Capric acid absorption was found to be essentially 100% aqueous boundary layer controlled at low HPB concentrations and increasingly membrane controlled at the higher HPB concentrations. Theoretical calculations based on the experimental data and model parameters were found to be consistent with: at low HPB concentrations, capric acid was mainly absorbed at the villus tips and there was very little capric acid penetration into the intervillus space; in contrast, at 50 mM HPB, there was considerable capric acid penetration into the intervillus space, this corresponding to around a 4.5-fold increase in the accessible area for absorption when compared with 0 mM HPB.

  8. The Young Solar Analogs Project. I. Spectroscopic and Photometric Methods and Multi-year Timescale Spectroscopic Results

    NASA Astrophysics Data System (ADS)

    Gray, R. O.; Saken, J. M.; Corbally, C. J.; Briley, M. M.; Lambert, R. A.; Fuller, V. A.; Newsome, I. M.; Seeds, M. F.; Kahvaz, Y.

    2015-12-01

    This is the first in a series of papers presenting methods and results from the Young Solar Analogs Project, which began in 2007. This project monitors both spectroscopically and photometrically a set of 31 young (300-1500 Myr) solar-type stars with the goal of gaining insight into the space environment of the Earth during the period when life first appeared. From our spectroscopic observations we derive the Mount Wilson S chromospheric activity index (SMW), and describe the method we use to transform our instrumental indices to SMW without the need for a color term. We introduce three photospheric indices based on strong absorption features in the blue-violet spectrum—the G-band, the Ca i resonance line, and the Hydrogen-γ line—with the expectation that these indices might prove to be useful in detecting variations in the surface temperatures of active solar-type stars. We also describe our photometric program, and in particular our "Superstar technique" for differential photometry which, instead of relying on a handful of comparison stars, uses the photon flux in the entire star field in the CCD image to derive the program star magnitude. This enables photometric errors on the order of 0.005-0.007 magnitude. We present time series plots of our spectroscopic data for all four indices, and carry out extensive statistical tests on those time series demonstrating the reality of variations on timescales of years in all four indices. We also statistically test for and discover correlations and anti-correlations between the four indices. We discuss the physical basis of those correlations. As it turns out, the "photospheric" indices appear to be most strongly affected by emission in the Paschen continuum. We thus anticipate that these indices may prove to be useful proxies for monitoring emission in the ultraviolet Balmer continuum. Future papers in this series will discuss variability of the program stars on medium (days-months) and short (minutes to hours

  9. Sulfur X-Ray Absorption And Vibrational Spectroscopic Study of Sulfur Dioxide, Sulfite, And Sulfonate Solutions And of the Substituted Sulfonate Ions X(3)CSO(3-)(X = H, Cl, F)

    SciTech Connect

    Risberg, E.Damian; Eriksson, L.; Mink, J.; Pettersson, L.G.M.; Skripkin, M.Yu.; Sandstrom, M.

    2009-06-02

    Sulfur K-edge X-ray absorption near-edge structure (XANES) spectra have been recorded and the S(1s) electron excitations evaluated by means of density functional theory-transition potential (DFT-TP) calculations to provide insight into the coordination, bonding, and electronic structure. The XANES spectra for the various species in sulfur dioxide and aqueous sodium sulfite solutions show considerable differences at different pH values in the environmentally important sulfite(IV) system. In strongly acidic (pH < {approx}1) aqueous sulfite solution the XANES spectra confirm that the hydrated sulfur dioxide molecule, SO{sub 2}(aq), dominates. The theoretical spectra are consistent with an OSO angle of {approx}119{sup o} in gas phase and acetonitrile solution, while in aqueous solution hydrogen bonding reduces the angle to {approx}116{sup o}. The hydration affects the XANES spectra also for the sulfite ion, SO{sub 3}{sup 2-}. At intermediate pH (4) the two coordination isomers, the sulfonate (HSO{sub 3{sup -}}) and hydrogen sulfite (SO{sub 3}H{sup -}) ions with the hydrogen atom coordinated to sulfur and oxygen, respectively, could be distinguished with the ratio HSO{sub 3{sup -}}:SO{sub 3}H{sup -} about 0.28:0.72 at 298 K. The relative amount of HSO{sub 3{sup -}} increased with increasing temperature in the investigated range from 275 to 343 K. XANES spectra of sulfonate, methanesulfonate, trichloromethanesulfonate, and trifluoromethanesulfonate compounds, all with closely similar S-O bond distances in tetrahedral configuration around the sulfur atom, were interpreted by DFT-TP computations. The energy of their main electronic transition from the sulfur K-shell is about 2478 eV. The additional absorption features are similar when a hydrogen atom or an electron-donating methyl group is bonded to the -SO{sub 3} group. Significant changes occur for the electronegative trichloromethyl (Cl{sub 3}C-) and trifluoromethyl (F{sub 3}C-) groups, which strongly affect the

  10. Comparative spectroscopic analysis of urinary calculi inhibition by Larrea Tridentata infusion and NDGA chemical extract

    NASA Astrophysics Data System (ADS)

    Manciu, Felicia

    2012-10-01

    In the present comparative spectroscopic study we try to understand calcium oxalate kidney stone formation as well as its inhibition by using a traditional medicine approach with Larrea Tridentata (LT) herbal extracts and nordihydroguaiaretic acid (NDGA), which is a chemical extract of the LT bush. The samples were synthesized without and with LT or NDGA using a simplified single diffusion gel growth technique. While the use of infusion from LT decreases the sizes of calcium oxalate crystals and also changes their structure from monohydrate for pure crystals to dihydrate for crystals grown with different amounts of inhibitor, both Raman and infrared absorption spectroscopic techniques, which are the methods of analysis employed in this work, reveal that NDGA is not responsible for the change in the morphology of calcium oxalate crystals and does not contribute significantly to the inhibition process. The presence of NDGA slightly affects the structure of the crystals by modifying the strength of the C-C bonds as seen in the Raman data. Also, the current infrared absorption results demonstrate the presence of NDGA in the samples through a vibrational line that corresponds to the double bond between carbon atoms of the ester group of NDGA.

  11. Infrared laser spectroscopic trace gas sensing

    NASA Astrophysics Data System (ADS)

    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

  12. Picosecond flash spectroscopic studies on ultraviolet stabilizers and stabilized polymers

    NASA Technical Reports Server (NTRS)

    Scott, G. W.

    1982-01-01

    Spectroscopic and excited state decay kinetics are reported for monomeric and polymeric forms of ultraviolet stabilizers in the 2-(2'-hydroxyphenyl)-benzotriazole and 2-hydroxybenzophenone classes. For some of these molecules in various solvents at room temperature, (1) ground state absorption spectra, (2) emission spectra, (3) picosecond time-resolved transient absorption spectra, (4) ground state absorption recovery kinetics, (5) emission kinetics, and (6) transient absorption kinetics are reported. In the solid state at low temperatures, emission spectra and their temperature dependent kinetics up to approximately 200K as well as, in one case, the 12K excitation spectra of the observed dual emission are also reported.

  13. Non-Heme Iron Absorption and Utilization from Typical Whole Chinese Diets in Young Chinese Urban Men Measured by a Double-Labeled Stable Isotope Technique

    PubMed Central

    Yang, Lichen; Zhang, Yuhui; Wang, Jun; Huang, Zhengwu; Gou, Lingyan; Wang, Zhilin; Ren, Tongxiang; Piao, Jianhua; Yang, Xiaoguang

    2016-01-01

    Background This study was to observe the non-heme iron absorption and biological utilization from typical whole Chinese diets in young Chinese healthy urban men, and to observe if the iron absorption and utilization could be affected by the staple food patterns of Southern and Northern China. Materials and Methods Twenty-two young urban men aged 18–24 years were recruited and randomly assigned to two groups in which the staple food was rice and steamed buns, respectively. Each subject received 3 meals containing approximately 3.25 mg stable 57FeSO4 (the ratio of 57Fe content in breakfast, lunch and dinner was 1:2:2) daily for 2 consecutive days. In addition, approximately 2.4 mg 58FeSO4 was administered intravenously to each subject at 30–60 min after dinner each day. Blood samples were collected from each subject to measure the enrichment of the 57Fe and 58Fe. Fourteen days after the experimental diet, non-heme iron absorption was assessed by measuring 57Fe incorporation into red blood cells, and absorbed iron utilization was determined according to the red blood cell incorporation of intravenously infused 58Fe SO4. Results Non-heme iron intake values overall, and in the rice and steamed buns groups were 12.8 ±2.1, 11.3±1.3 and 14.3±1.5 mg, respectively; the mean 57Fe absorption rates were 11±7%, 13±7%, and 8±4%, respectively; and the mean infused 58Fe utilization rates were 85±8%, 84±6%, and 85±10%, respectively. There was no significantly difference in the iron intakes, and 57Fe absorption and infused 58Fe utilization rates between rice and steamed buns groups (all P>0.05). Conclusion We present the non-heme iron absorption and utilization rates from typical whole Chinese diets among young Chinese healthy urban men, which was not affected by the representative staple food patterns of Southern and Northern China. This study will provide a basis for the setting of Chinese iron DRIs. PMID:27099954

  14. A Spectroscopic-Based Laboratory Experiment for Protein Conformational Studies

    ERIC Educational Resources Information Center

    Ramos, Carlos Henrique I.

    2004-01-01

    This article describes a practical experiment for teaching basic spectroscopic techniques to introduce the topic of protein conformational change to students in the field of molecular biology, biochemistry, or structural biology. The spectroscopic methods employed in the experiment are absorbance, for protein concentration measurements, and…

  15. Percutaneous absorption in preterm infants.

    PubMed

    West, D P; Halket, J M; Harvey, D R; Hadgraft, J; Solomon, L M; Harper, J I

    1987-11-01

    The skin of preterm infants varies considerably in its level of maturity. To understand skin absorption in premature infants better, we report a technique for the assessment of percutaneous absorption at various gestational and postnatal ages using stable, isotope-labeled (13C6) benzoic acid. Our results indicate that in the preterm infant, this method detects enhanced skin absorption in the first postnatal days, which declines over three weeks to that expected of a full-term infant. This approach also indicates an inverse relationship between gestational age and skin absorption, as well as postnatal age and skin absorption. The reported technique is a safe and noninvasive method using a model skin penetrant for the study of percutaneous absorption in preterm infants from which basic data may be derived to add to our understanding of skin barrier function. PMID:3422856

  16. Analyzing Water's Optical Absorption

    NASA Technical Reports Server (NTRS)

    2002-01-01

    A cooperative agreement between World Precision Instruments (WPI), Inc., and Stennis Space Center has led the UltraPath(TM) device, which provides a more efficient method for analyzing the optical absorption of water samples at sea. UltraPath is a unique, high-performance absorbance spectrophotometer with user-selectable light path lengths. It is an ideal tool for any study requiring precise and highly sensitive spectroscopic determination of analytes, either in the laboratory or the field. As a low-cost, rugged, and portable system capable of high- sensitivity measurements in widely divergent waters, UltraPath will help scientists examine the role that coastal ocean environments play in the global carbon cycle. UltraPath(TM) is a trademark of World Precision Instruments, Inc. LWCC(TM) is a trademark of World Precision Instruments, Inc.

  17. Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni²⁺ and Zn²⁺ reveals a role for the disordered C-terminal arm in metal trafficking.

    PubMed

    Banaszak, Katarzyna; Martin-Diaconescu, Vlad; Bellucci, Matteo; Zambelli, Barbara; Rypniewski, Wojciech; Maroney, Michael J; Ciurli, Stefano

    2012-02-01

    The survival and growth of the pathogen Helicobacter pylori in the gastric acidic environment is ensured by the activity of urease, an enzyme containing two essential Ni²⁺ ions in the active site. The metallo-chaperone UreE facilitates in vivo Ni²⁺ insertion into the apoenzyme. Crystals of apo-HpUreE (H. pylori UreE) and its Ni⁺- and Zn⁺-bound forms were obtained from protein solutions in the absence and presence of the metal ions. The crystal structures of the homodimeric protein, determined at 2.00 Å (apo), 1.59 Å (Ni²⁺) and 2.52 Å (Zn²⁺) resolution, show the conserved proximal and solvent-exposed His¹⁰² residues from two adjacent monomers invariably involved in metal binding. The C-terminal regions of the apoprotein are disordered in the crystal, but acquire significant ordering in the presence of the metal ions due to the binding of His¹⁵². The analysis of X-ray absorption spectral data obtained using solutions of Ni²⁺- and Zn²⁺-bound HpUreE provided accurate information of the metal-ion environment in the absence of solid-state effects. These results reveal the role of the histidine residues at the protein C-terminus in metal-ion binding, and the mutual influence of protein framework and metal-ion stereo-electronic properties in establishing co-ordination number and geometry leading to metal selectivity.

  18. Slurry sampling techniques for the determination of lead in Bangladeshi fish samples by electrothermal atomic absorption spectrometry with a metal tube atomizer.

    PubMed

    Rahman, Mohammad Arifur; Kaneco, Satoshi; Suzuki, Tohru; Katsumata, Hideyuki; Ohta, Kiyohisa

    2005-05-01

    Ultrasonic slurry sampling electrothermal atomic absorption spectrometry with a metal tube atomizer has been applied to the determination of lead in Bangladeshi fish samples. The slurry sampling conditions, such as slurry stabilizing agent, slurry concentration, pyrolysis temperature for the slurried fish samples, particle size and ultrasonic agitation time, were optimized for electrothermal atomic absorption spectrometry with the Mo tube atomizer. Thiourea was used as the chemical modifier for the interference of matrix elements. The detection limit was 53 fg (3S/N). The determined amount of lead in Bangladeshi fish samples was consistent with those measured in the dissolved acid-digested samples. The advantages of the proposed methods are easy calibration, simplicity, low cost and rapid analysis.

  19. Broadband optical absorption enhancement of N719 dye in ethanol by gold-silver alloy nanoparticles fabricated under laser ablation technique

    NASA Astrophysics Data System (ADS)

    Al-Azawi, Mohammed A.; Bidin, Noriah; Abbas, Khaldoon N.; Bououdina, Mohamed; Azzez, Shrook A.

    2016-04-01

    The formation of gold-silver alloy nanoparticles (Au-Ag alloy NPs) by a two-step process with a pulsed Nd:YAG laser without any additives is presented. Mixtures of Au and Ag colloidal suspensions were separately obtained by 1064-nm laser ablation of metallic targets immersed in ethanol. Subsequently, the as-mixed colloidal suspensions were reirradiated by laser-induced heating at the second-harmonic generation (532 nm) for different irradiation periods of time. The absorption spectra and morphology of the colloidal alloys were studied as a function of exposure time to laser irradiation. Transmission electron microscopy revealed the formation of monodispersed spherical nanoparticles with a homogeneous size distribution in all the synthesized samples. UV-vis and photoluminescence spectroscopy measurements were also employed to characterize the changes in the light absorption and emission of N719 dye solution with different concentrations of Au-Ag colloidal alloys, respectively. The localized surface plasmon resonance (LSPR) of Au-Ag alloy NPs enhanced the absorption and fluorescence peak of the dye solution. The mixture of dye molecules with a higher concentration of alloy NPs exhibited an additional coupling of dipole moments with the LSPR, thereby contributing to the improvement of the optical properties of the mixture.

  20. Broadband optical absorption enhancement of N719 dye in ethanol by gold-silver alloy nanoparticles fabricated under laser ablation technique

    NASA Astrophysics Data System (ADS)

    Al-Azawi, Mohammed A.; Bidin, Noriah; Abbas, Khaldoon N.; Bououdina, Mohamed; Azzez, Shrook A.

    2016-04-01

    The formation of gold-silver alloy nanoparticles (Au-Ag alloy NPs) by a two-step process with a pulsed Nd:YAG laser without any additives is presented. Mixtures of Au and Ag colloidal suspensions were separately obtained by 1064-nm laser ablation of metallic targets immersed in ethanol. Subsequently, the as-mixed colloidal suspensions were reirradiated by laser-induced heating at the second-harmonic generation (532 nm) for different irradiation periods of time. The absorption spectra and morphology of the colloidal alloys were studied as a function of exposure time to laser irradiation. Transmission electron microscopy revealed the formation of monodispersed spherical nanoparticles with a homogeneous size distribution in all the synthesized samples. UV-vis and photoluminescence spectroscopy measurements were also employed to characterize the changes in the light absorption and emission of N719 dye solution with different concentrations of Au-Ag colloidal alloys, respectively. The localized surface plasmon resonance (LSPR) of Au-Ag alloy NPs enhanced the absorption and fluorescence peak of the dye solution. The mixture of dye molecules with a higher concentration of alloy NPs exhibited an additional coupling of dipole moments with the LSPR, thereby contributing to the improvement of the optical properties of the mixture.

  1. Spectroscopic Online Monitoring for Process Control and Safeguarding of Radiochemical Fuel Reprocessing Streams - 13553

    SciTech Connect

    Bryan, S.A.; Levitskaia, T.G.; Casella, Amanda; Peterson, James

    2013-07-01

    There is a renewed interest worldwide to promote the use of nuclear power and close the nuclear fuel cycle. The long term successful use of nuclear power is critically dependent upon adequate and safe processing and disposition of the used nuclear fuel. Liquid-liquid extraction is a separation technique commonly employed for the processing of the dissolved spent nuclear fuel. The instrumentation used to monitor these processes must be robust, require little or no maintenance, and be able to withstand harsh environments such as high radiation fields and aggressive chemical matrices. This paper discusses application of absorption and vibrational spectroscopic techniques supplemented by physicochemical measurements for radiochemical process monitoring. In this context, our team experimentally assessed the potential of Raman and spectrophotometric techniques for on-line real-time monitoring of the U(VI)/nitrate ion/nitric acid and Pu(IV)/Np(V)/Nd(III), respectively, in solutions relevant to spent fuel reprocessing. Both techniques demonstrated robust performance in the repetitive batch measurements of each analyte in a wide concentration range using simulant and commercial dissolved spent fuel solutions. Static spectroscopic measurements served as training sets for the multivariate data analysis to obtain partial least squares predictive models, which were validated using on-line centrifugal contactor extraction tests. Satisfactory prediction of the analytes concentrations in these preliminary experiments warrants further development of the spectroscopy-based methods for radiochemical safeguards and process control. (authors)

  2. Spectroscopic Online Monitoring for Process Control and Safeguarding of Radiochemical Fuel Reprocessing Streams

    SciTech Connect

    Bryan, Samuel A.; Levitskaia, Tatiana G.; Casella, Amanda J.; Peterson, James M.

    2013-02-24

    There is a renewed interest worldwide to promote the use of nuclear power and close the nuclear fuel cycle. The long term successful use of nuclear power is critically dependent upon adequate and safe processing and disposition of the spent nuclear fuel. Liquid-liquid extraction is a separation technique commonly employed for the processing of the dissolved spent nuclear fuel. The instrumentation used to monitor these processes must be robust, require little or no maintenance, and be able to withstand harsh environments such as high radiation fields and aggressive chemical matrices. In addition, the ability for continuous online monitoring allows for numerous benefits. This paper reviews application of the absorption and vibrational spectroscopic techniques supplemented by physicochemical measurements for radiochemical process monitoring. In this context, our team experimentally assessed the potential of Raman and spectrophotometric techniques for on-line real-time monitoring of the U(VI)/nitrate ion/nitric acid and Pu(IV)/Np(V)/Nd(III), respectively, in solutions relevant to spent fuel reprocessing. Both techniques demonstrated robust performance in the repetitive batch measurements of each analyte in a wide concentration range using simulant and commercial dissolved spent fuel solutions. Static spectroscopic measurements served as training sets for the multivariate data analysis to obtain partial least squares predictive models, which were validated using on-line centrifugal contactor extraction tests. Satisfactory prediction of the analytes concentrations in these preliminary experiments warrants further development of the spectroscopy-based methods for radiochemical safeguards and process control.

  3. Angular and local spectroscopic analysis to probe the vertical alignment of N-doped well-separated carbon nanotubes.

    PubMed

    Minea, T M; Bouchet-Fabre, B; Lazar, S; Point, S; Zandbergen, H W

    2006-08-17

    Vertically aligned well-separated N-doped multiwalled carbon nanotubes (CNTs) were grown on a silicon substrate by plasma enhanced chemical vapor deposition (PECVD). Angular near-edge X-ray absorption fine structure (NEXAFS) was used to investigate the vertical alignment of as-grown CNTs. In addition, both individual tubes and tube bundles were characterized by high-resolution electron energy loss spectroscopy (HREELS). Simultaneous analysis of both spectroscopic techniques provides information on chemical environment, orbital orientation between carbon and heteroatoms, and local curvature effects. We demonstrate the utility of NEXAFS as an in situ probe of CNTs. PMID:16898707

  4. Spectroscopic characterizations of organic/inorganic nanocomposites

    NASA Astrophysics Data System (ADS)

    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

  5. Calibration method for spectroscopic systems

    DOEpatents

    Sandison, David R.

    1998-01-01

    Calibration spots of optically-characterized material placed in the field of view of a spectroscopic system allow calibration of the spectroscopic system. Response from the calibration spots is measured and used to calibrate for varying spectroscopic system operating parameters. The accurate calibration achieved allows quantitative spectroscopic analysis of responses taken at different times, different excitation conditions, and of different targets.

  6. Calibration method for spectroscopic systems

    DOEpatents

    Sandison, D.R.

    1998-11-17

    Calibration spots of optically-characterized material placed in the field of view of a spectroscopic system allow calibration of the spectroscopic system. Response from the calibration spots is measured and used to calibrate for varying spectroscopic system operating parameters. The accurate calibration achieved allows quantitative spectroscopic analysis of responses taken at different times, different excitation conditions, and of different targets. 3 figs.

  7. Spectral and Non Radiative Decay Studies of Lead Di Bromide Single Crystals by Mode Matched Thermal Lens Technique.

    PubMed

    Rejeena, I; Lillibai, B; Thomas, V; Nampoori, V P N; Radhakrishnan, P

    2016-07-01

    In the present paper, the investigations on the non radiative decay mechanism, optical band gap determination from absorption spectroscopic studies and fluorescence emission by photo luminescence techniques using different excitation wavelengths on gel derived lead di bromide single crystals are reported. Non radiative decay of the sample is studied using high sensitive dual beam mode matched thermal lens technique. For the thermal lensing experiment the crystal in solution phase is incorporated with rhodamine 6G dye for enhancing the absorption of the crystal sample. The thermal diffusivity of lead di bromide is determined using the probe beam intensity v/s time measurements. PMID:27165040

  8. Importance of tissue preparation methods in FTIR micro-spectroscopical analysis of biological tissues: 'traps for new users'.

    PubMed

    Zohdi, Vladislava; Whelan, Donna R; Wood, Bayden R; Pearson, James T; Bambery, Keith R; Black, M Jane

    2015-01-01

    Fourier Transform Infrared (FTIR) micro-spectroscopy is an emerging technique for the biochemical analysis of tissues and cellular materials. It provides objective information on the holistic biochemistry of a cell or tissue sample and has been applied in many areas of medical research. However, it has become apparent that how the tissue is handled prior to FTIR micro-spectroscopic imaging requires special consideration, particularly with regards to methods for preservation of the samples. We have performed FTIR micro-spectroscopy on rodent heart and liver tissue sections (two spectroscopically very different biological tissues) that were prepared by desiccation drying, ethanol substitution and formalin fixation and have compared the resulting spectra with that of fully hydrated freshly excised tissues. We have systematically examined the spectra for any biochemical changes to the native state of the tissue caused by the three methods of preparation and have detected changes in infrared (IR) absorption band intensities and peak positions. In particular, the position and profile of the amide I, key in assigning protein secondary structure, changes depending on preparation method and the lipid absorptions lose intensity drastically when these tissues are hydrated with ethanol. Indeed, we demonstrate that preserving samples through desiccation drying, ethanol substitution or formalin fixation significantly alters the biochemical information detected using spectroscopic methods when compared to spectra of fresh hydrated tissue. It is therefore imperative to consider tissue preparative effects when preparing, measuring, and analyzing samples using FTIR spectroscopy.

  9. Spectroscopic study in Z-pinch discharge

    SciTech Connect

    Garamoon, A.A.; Saudy, A.H.; Shark, W.

    1995-12-31

    The temporal variation of the emitted line intensity has been investigated, and thus an important information about the dynamic ionization stages in the Z-pinch discharge has been studied. Also the electron temperature Te, has been deduced by using a spectroscopic technique.

  10. Influence of vapor transport equilibration on spectroscopic properties of Er :LiNbO3 crystal heavily codoped with MgO

    NASA Astrophysics Data System (ADS)

    Zhang, De-Long; Wang, Dun-Chun; Pun, E. Y. B.

    2005-05-01

    Z-cut MgO heavily codoped (6mol%) Er(0.4mol%):LiNbO3 crystals were thermally treated at 1110 and 1120°C over 100, 120, and 220h using vapor transport equilibration (VTE) technique. Visible and infrared-absorption and x-ray powder diffraction have been used to characterize their spectral, spectroscopic, and crystalline phase characteristics in comparison with the as-grown crystal. The experimental results show that VTE treatment results in the reduction of background absorption and 4-5-nm blueshift of the optical-absorption edge, qualitatively showing that these crystals have been brought closer to stoichiometric composition. The VTE procedure also results in remarkable Er3+ absorption changes. These spectroscopic changes imply that the VTE treatment may result in the formation of ErNbO4 precipitates in all VTE crystals. In addition, the VTE treatment also results in substantial spectral changes with respect to OH - absorption. These OH - spectral changes are explained from the viewpoint of VTE-induced site-occupancy alterations of intrinsic and extrinsic defects. Based upon the measured absorption spectra, the influences of VTE treatment on the Er3+ spectroscopic parameters were studied by using the Judd-Ofelt (JO) theory. The theoretical results show that VTE treatment has a little influence on the branch ratio, and a substantial influence on JO parameters and electron transition probability because of the phase transformation with respect to Er3+. The VTE treatment results in the increase of the JO parameters by more than 50% and theoretical radiative lifetime by 50%-120%.

  11. Quantum cascade laser absorption spectroscopy as a plasma diagnostic tool: an overview.

    PubMed

    Welzel, Stefan; Hempel, Frank; Hübner, Marko; Lang, Norbert; Davies, Paul B; Röpcke, Jürgen

    2010-01-01

    The recent availability of thermoelectrically cooled pulsed and continuous wave quantum and inter-band cascade lasers in the mid-infrared spectral region has led to significant improvements and new developments in chemical sensing techniques using in-situ laser absorption spectroscopy for plasma diagnostic purposes. The aim of this article is therefore two-fold: (i) to summarize the challenges which arise in the application of quantum cascade lasers in such environments, and, (ii) to provide an overview of recent spectroscopic results (encompassing cavity enhanced methods) obtained in different kinds of plasma used in both research and industry.

  12. Quantum Cascade Laser Absorption Spectroscopy as a Plasma Diagnostic Tool: An Overview

    PubMed Central

    Welzel, Stefan; Hempel, Frank; Hübner, Marko; Lang, Norbert; Davies, Paul B.; Röpcke, Jürgen

    2010-01-01

    The recent availability of thermoelectrically cooled pulsed and continuous wave quantum and inter-band cascade lasers in the mid-infrared spectral region has led to significant improvements and new developments in chemical sensing techniques using in-situ laser absorption spectroscopy for plasma diagnostic purposes. The aim of this article is therefore two-fold: (i) to summarize the challenges which arise in the application of quantum cascade lasers in such environments, and, (ii) to provide an overview of recent spectroscopic results (encompassing cavity enhanced methods) obtained in different kinds of plasma used in both research and industry. PMID:22163581

  13. Spectroscopic analyses of trivalent rare-earth ions doped in different host materials

    NASA Astrophysics Data System (ADS)

    Chandrasekharan, Sreerenjini

    2011-12-01

    Trivalent rare-earth (RE3+) ions of 4f n electronic configurations are found to possess potential applications in the field of optoelectronic and biophotonic technologies owing to their unique optical properties. They have been used as optical activators in a large number of solid-state laser host materials due to their rich energy level structure. This work focuses on the spectroscopic study of two RE 3+ ions, namely, trivalent erbium and neodymium (Er3+ and Nd3+, respectively), embedded in some important single crystal and nanocrystalline host materials including yttrium orthoaluminate (YAlO3), erbium oxide (Er2O3), yttrium oxide (Y2O3) and a combined host system of Y2O 3 and a vinyl polymer named Polymethyl Methacrylate (PMMA). Each one of these host materials are known to be unique for their characteristic properties such as chemical durability, thermal stability, optical clarity, wide band gaps, biocompatibility, and success as phosphors in various optoelectronic devices. The complete material characterization has been performed through morphology analyses using advanced microscopy techniques and spectroscopic analyses of the characteristic absorption and emission spectra by applying phenomenological crystal-field splitting and Judd-Ofelt techniques. The important spectroscopic parameters such as line strengths, radiative decay rates, and branching ratios have been obtained for the intermanifold transitions from the upper multiplets to the corresponding lower-lying multiplet manifolds 2S+1LJ of RE3+ ions doped in various host systems. Using the radiative decay rates, radiative life times are obtained and the experimental analyses of the fluorescent spectra yield the measured lifetimes of emitting metastable states. Finally, the results are compared with the previously published set of values for the same ions doped in similar type of host systems. Detailed analyses of the spectroscopic properties show that the studied systems RE3+ doped single crystals and

  14. Photothermal absorption correlation spectroscopy.

    PubMed

    Octeau, Vivien; Cognet, Laurent; Duchesne, Laurence; Lasne, David; Schaeffer, Nicolas; Fernig, David G; Lounis, Brahim

    2009-02-24

    Fluorescence correlation spectroscopy (FCS) is a popular technique, complementary to cell imaging for the investigation of dynamic processes in living cells. Based on fluorescence, this single molecule method suffers from artifacts originating from the poor fluorophore photophysics: photobleaching, blinking, and saturation. To circumvent these limitations we present here a new correlation method called photothermal absorption correlation spectroscopy (PhACS) which relies on the absorption properties of tiny nano-objects. PhACS is based on the photothermal heterodyne detection technique and measures akin FCS, the time correlation function of the detected signals. Application of this technique to the precise determination of the hydrodynamic sizes of different functionalized gold nanoparticles are presented, highlighting the potential of this method. PMID:19236070

  15. A cavity type absorption cell for double resonance microwave spectroscopy.

    NASA Technical Reports Server (NTRS)

    Lee, M. C.; White, W. F.

    1972-01-01

    Description of an experimental dual resonant cavity absorption cell for observing microwave spectroscopic double-resonance effects. The device is composed of two Fabry-Perot interferometers excited by independent microwave sources and mounted at right angles in a suitable vacuum enclosure. The pumping transition is modulated by one source and the modulation induced on the rf absorption in the orthogonal cavity is detected.

  16. Cd adsorption onto Anoxybacillus flavithermus: Surface complexation modeling and spectroscopic investigations

    SciTech Connect

    Burnett, Peta-Gaye; Daughney, Christopher J.; Peak, Derek

    2008-06-09

    Several recent studies have applied surface complexation theory to model metal adsorption behaviour onto mesophilic bacteria. However, no investigations have used this approach to characterise metal adsorption by thermophilic bacteria. In this study, we perform batch adsorption experiments to quantify cadmium adsorption onto the thermophile Anoxybacillus flavithermus. Surface complexation models (incorporating the Donnan electrostatic model) are developed to determine stability constants corresponding to specific adsorption reactions. Adsorption reactions and stoichiometries are constrained using spectroscopic techniques (XANES, EXAFS, and ATR-FTIR). The results indicate that the Cd adsorption behaviour of A. flavithermus is similar to that of other mesophilic bacteria. At high bacteria-to-Cd ratios, Cd adsorption occurs by formation of a 1:1 complex with deprotonated cell wall carboxyl functional groups. At lower bacteria-to-Cd ratios, a second adsorption mechanism occurs at pH > 7, which may correspond to the formation of a Cd-phosphoryl, CdOH-carboxyl, or CdOH-phosphoryl surface complex. X-ray absorption spectroscopic investigations confirm the formation of the 1:1 Cd-carboxyl surface complex, but due to the bacteria-to-Cd ratio used in these experiments, other complexation mechanism(s) could not be unequivocally resolved by the spectroscopic data.

  17. Spectroscopic and structural study of the newly synthesized heteroligand complex of copper with creatinine and urea.

    PubMed

    Gangopadhyay, Debraj; Singh, Sachin Kumar; Sharma, Poornima; Mishra, Hirdyesh; Unnikrishnan, V K; Singh, Bachcha; Singh, Ranjan K

    2016-02-01

    Study of copper complex of creatinine and urea is very important in life science and medicine. In this paper, spectroscopic and structural study of a newly synthesized heteroligand complex of copper with creatinine and urea has been discussed. Structural studies have been carried out using DFT calculations and spectroscopic analyses were carried out by FT-IR, Raman, UV-vis absorption and fluorescence techniques. The copper complex of creatinine and the heteroligand complex were found to have much increased water solubility as compared to pure creatinine. The analysis of FT-IR and Raman spectra helps to understand the coordination properties of the two ligands and to determine the probable structure of the heteroligand complex. The LIBS spectra of the heteroligand complex reveal that the complex is free from other metal impurities. UV-visible absorption spectra and the fluorescence emission spectra of the aqueous solution of Cu-Crn-urea heteroligand complex at different solute concentrations have been analyzed and the complex is found to be rigid and stable in its monomeric form at very low concentrations.

  18. Spectroscopic and structural study of the newly synthesized heteroligand complex of copper with creatinine and urea

    NASA Astrophysics Data System (ADS)

    Gangopadhyay, Debraj; Singh, Sachin Kumar; Sharma, Poornima; Mishra, Hirdyesh; Unnikrishnan, V. K.; Singh, Bachcha; Singh, Ranjan K.

    2016-02-01

    Study of copper complex of creatinine and urea is very important in life science and medicine. In this paper, spectroscopic and structural study of a newly synthesized heteroligand complex of copper with creatinine and urea has been discussed. Structural studies have been carried out using DFT calculations and spectroscopic analyses were carried out by FT-IR, Raman, UV-vis absorption and fluorescence techniques. The copper complex of creatinine and the heteroligand complex were found to have much increased water solubility as compared to pure creatinine. The analysis of FT-IR and Raman spectra helps to understand the coordination properties of the two ligands and to determine the probable structure of the heteroligand complex. The LIBS spectra of the heteroligand complex reveal that the complex is free from other metal impurities. UV-visible absorption spectra and the fluorescence emission spectra of the aqueous solution of Cu-Crn-urea heteroligand complex at different solute concentrations have been analyzed and the complex is found to be rigid and stable in its monomeric form at very low concentrations.

  19. Arsenate Adsorption On Ruthenium Oxides: A Spectroscopic And Kinetic Investigation

    EPA Science Inventory

    Arsenate adsorption on amorphous (RuO2•1.1H2O) and crystalline (RuO2) ruthenium oxides was evaluated using spectroscopic and kinetic methods to elucidate the adsorption mechanism. Extended X-ray absorption fine structure spectroscopy (EXAFS) was ...

  20. LEAD SORPTION ON RUTHENIUM OXIDE: A MACROSCOPIC AND SPECTROSCOPIC STUDY

    EPA Science Inventory

    The sorption and desorption of Pb on RuO2 xH2O were examined kinetically and thermodynamically via spectroscopic and macroscopic investigations. X-ray absorption spectroscopy (XAS) was employed to determine the sorption mechanism with regard to identity of nearest atomic neighbo...

  1. Effective utilization of quantum-cascade distributed-feedback lasers in absorption spectroscopy.

    PubMed

    Kosterev, A A; Curl, R F; Tittel, F K; Gmachl, C; Capasso, F; Sivco, D L; Baillargeon, J N; Hutchinson, A L; Cho, A Y

    2000-08-20

    A variable duty cycle quasi-cw frequency scanning technique was applied to reduce thermal effects resulting from the high heat dissipation of type I quantum-cascade lasers. This technique was combined with a 100-m path-length multipass cell and a zero-air background-subtraction technique to enhance detection sensitivity to a parts-in-10(9) (ppb) concentration level for spectroscopic trace-gas detection of CH4, N2O, H2O, and C2H5OH in ambient air at 7.9 micrometers. A new technique for analysis of dense high resolution absorption spectra was applied to detection of ethanol in ambient air, yielding a 125-ppb detection limit.

  2. Spectroscopic studies and density functional theory investigations of a cobalt phthalocyanine derivative

    NASA Astrophysics Data System (ADS)

    Salcedo, Roberto; Pérez-Manríquez, Liliana; Sánchez-Vergara, M. E.

    2015-03-01

    Colloidal solutions at room temperature were used to obtain various polymorphic forms of a [PcCoCN]n and double potassium salt from 1,8 dihydroxyanthraquinone derivative. Nanocrystals in the form α and β were characterized using IR and UV-Vis spectroscopy techniques. Likewise in this context, an energy doublet in the absorption spectra of the monoclinic form at 1.8 and 2 eV was observed. The complex structure inherent to the spectra of the CoPc derivative is attributed to the simultaneous presence of both crystalline and molecular phases in the samples. The optical absorption of the compound was also investigated in order to evaluate changes in the electronic structure of these metal organic nanostructures. The absorption spectra of the CoPc derivative recorded in the UV-Vis region manifested two absorption bands, namely the Q- and B- bands. DFT calculations of this structure help to establish the source of the spectroscopic behavior and also lead to a particular phenomenon not known previously in this kind of complex, because the optimized structure of the cobalt complex manifests a very strange deformation of the bond between the anthraquinone derivative and the cobalt atom; the origin of this deformation is also discussed.

  3. A Combined Experimental and Computational Investigation on Spectroscopic and Photophysical Properties of a Coumarinyl Chalcone.

    PubMed

    Al-Sehemi, Abdullah G; Pannipara, Mehboobali; Kalam, Abul; Asiri, Abdullah M

    2016-07-01

    Here, we synthesized a new coumarinyl chalcone derivative 3-[3-(3-Methyl-thiophen-2-yl)-acryloyl]-chromen-2-one (MTC) by simple and proficient method. A comprehensive study on the photophysics of a coumarinyl chalcone derivative having pi-conjugated potential chromophore system 3-[3-(3-Methyl-thiophen-2-yl)-acryloyl]-chromen-2-one (MTC) has been carried out spectroscopically. The electronic absorption and emission characteristic of MTC were studied in different protic and aprotic solvents using absorption and steady-state fluorescence techniques. The spectral behavior of this compound is found to be extremely sensitive to the polarity and hydrogen bonding nature of the solvent. The compound shows very strong solvent polarity dependent changes in their photophysical characteristics, namely, remarkable red shift in the emission spectra with increasing solvent polarity, change in Stokes shift, significant reduction in the fluorescence quantum yield; indicating that the fluorescence states of these compounds are of intramolecular charge transfer (ICT) character. The solvent effect on the photophysical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment, fluorescence spectra, and fluorescence quantum yield of the compound has been investigated in detail. The difference between the excited and ground state dipole moments (Δμ) were estimated from solvatochromic methods using Lippert-Mataga and Reichardt's correlations. The prepared compound was also studied by density functional theory (DFT) and time-dependent density functional theory (TDDFT). The results revealed that it could be easily reproduce by computational means. PMID:27307021

  4. Ultrasonic separation of a suspension for in situ spectroscopic imaging

    NASA Astrophysics Data System (ADS)

    Nogo, Kosuke; Qi, Wei; Mori, Keita; Ogawa, Satoshi; Inohara, Daichi; Hosono, Satsuki; Kawashima, Natsumi; Nishiyama, Akira; Wada, Kenji; Ishimaru, Ichiro

    2016-04-01

    Application of spectroscopic techniques to suspensions is difficult because optical scattering caused by solid particles reduces the accuracy. At the extreme, dense suspensions like blood cannot be analyzed by spectroscopic techniques. In the present study, an ultrasonic standing wave was used to agglomerate fluorescent particles in an aqueous ethanol suspension at the nodes of the standing wave. Relatively clear liquid regions, which contained few particles that could cause optical scattering, appeared around the anti-nodes and were used for spectroscopic imaging. This produced a spectrum that was similar to that of clear aqueous ethanol without any fluorescent particles.

  5. Epitaxy of CoSix (1absorption fine-structure techniques

    NASA Astrophysics Data System (ADS)

    Pirri, C.; Hong, S.; Tuilier, M. H.; Wetzel, P.; Gewinner, G.; Cortès, R.

    1996-01-01

    Electronic and structural properties of epitaxial CoSix layers have been investigated by means of core-level and valence-band photoemission, x-ray photoelectron diffraction, and extended x-ray-absorption fine-structure (EXAFS) experiments. CoSix layers of various x compositions have been grown on silicon by low rate Co and Si co-deposition onto room-temperature Si(111) substrates, with film thicknesses ranging from 30 to 100 Å. Photoemission shows substantial differences in valence and core-level spectra with respect to those of stable fluorite-type CoSi2 and ɛ-CoSi and indicate that well-defined metastable phases are formed. In particular, core-level photoemission experiments performed with a monochromatized x-ray source show large Si 2p binding-energy shifts (~0.4 eV) in the room-temperature deposited CoSix (1absorption fine-structure measurements suggest that these pseudomorphic phases have a cubic structure, over a wide composition range. EXAFS measurements reveal that Co atoms are coordinated with eight Si atoms with a bond length of ~2.33 Å and with Co atoms with bond lengths in the 2.67-2.68 Å range. Such short Co-Co bond lengths show that the structure is definitively different from the stable CaF2-type CoSi2, even at the CoSi2 composition. All experimental data indicate that CoSix silicides crystallize in a cubic lattice close to that of pseudomorphic FeSix silicides, namely, a CsCl-type derived structure.

  6. Spectroscopic online monitoring for process control and safeguarding of radiochemical streams

    SciTech Connect

    Bryan, S.A.; Levitskaia, T.G.

    2013-07-01

    This paper summarizes application of the absorption and vibrational spectroscopic techniques supplemented by physicochemical measurements for radiochemical process monitoring. In this context, our team experimentally assessed the potential of Raman and spectrophotometric techniques for online real-time monitoring of the U(VI)/nitrate ion/nitric acid and Pu(IV)/Np(V)/Nd(III), respectively, in solutions relevant to spent fuel reprocessing. These techniques demonstrate robust performance in the repetitive batch measurements of each analyte in a wide concentration range using simulant and commercial dissolved spent fuel solutions. Spectroscopic measurements served as training sets for the multivariate data analysis to obtain partial least squares predictive models, which were validated using on-line centrifugal contactor extraction tests. Satisfactory prediction of the analytes concentrations in these preliminary experiments warrants further development of the spectroscopy-based methods for radiochemical process control and safeguarding. Additionally, the ability to identify material intentionally diverted from a liquid-liquid extraction contactor system was successfully tested using on-line process monitoring as a means to detect the amount of material diverted. (authors)

  7. Light absorption properties and absorption budget of Southeast Pacific waters

    NASA Astrophysics Data System (ADS)

    Bricaud, Annick; Babin, Marcel; Claustre, Hervé; Ras, JoséPhine; TièChe, Fanny

    2010-08-01

    Absorption coefficients of phytoplankton, nonalgal particles (NAPs), and colored dissolved organic matter (CDOM), and their relative contributions to total light absorption, are essential variables for bio-optical and biogeochemical models. However, their actual variations in the open ocean remain poorly documented, particularly for clear waters because of the difficulty in measuring very low absorption coefficients. The Biogeochemistry and Optics South Pacific Experiment (BIOSOPE) cruise investigated a large range of oceanic regimes, from mesotrophic waters around the Marquesas Islands to hyperoligotrophic waters in the subtropical gyre and eutrophic waters in the upwelling area off Chile. The spectral absorption coefficients of phytoplankton and NAPs were determined using the filter technique, while the CDOM absorption coefficients were measured using a 2 m capillary waveguide. Over the whole transect, the absorption coefficients of both dissolved and particulate components covered approximately two orders of magnitude; in the gyre, they were among the lowest ever reported for open ocean waters. In the oligotrophic and mesotrophic waters, absorption coefficients of phytoplankton and NAPs were notably lower than those measured in other oceanic areas with similar chlorophyll contents, indicating some deviation from the standard chlorophyll-absorption relationships. The contribution of absorption by NAPs to total particulate absorption showed large vertical and horizontal variations. CDOM absorption coefficients covaried with algal biomass, albeit with a high scatter. The spectral slopes of both NAP and CDOM absorption revealed structured spatial variability in relation with the trophic conditions. The relative contributions of each component to total nonwater absorption were (at a given wavelength) weakly variable over the transect, at least within the euphotic layer.

  8. Experimental validation of a millimeter wave radar technique to remotely sense atmospheric pressure at the Earth's surface

    NASA Technical Reports Server (NTRS)

    Flower, D. A.; Peckham, G. E.; Bradford, W. J.

    1984-01-01

    Experiments with a millimeter wave radar operating on the NASA CV-990 aircraft which validate the technique for remotely sensing atmospheric pressure at the Earth's surface are described. Measurements show that the precise millimeter wave observations needed to deduce pressure from space with an accuracy of 1 mb are possible, that sea surface reflection properties agree with theory and that the measured variation of differential absorption with altitude corresponds to that expected from spectroscopic models.

  9. MAMA Spectroscopic Throughputs

    NASA Astrophysics Data System (ADS)

    Lennon, Daniel

    2009-07-01

    This activity sets new baseline post-SM4 sensitivity/throughput measurements for all the STIS/MAMA spectroscopic modes, and establishes if there changes with respect to perfomance prior to the LVPS failure. It also checks the NUV focus of STIS and its dependence on wavelength.

  10. Correction of pathlength amplification in the filter-pad technique for measurements of particulate absorption coefficient in the visible spectral region.

    PubMed

    Stramski, Dariusz; Reynolds, Rick A; Kaczmarek, Sławomir; Uitz, Julia; Zheng, Guangming

    2015-08-01

    Spectrophotometric measurement of particulate matter retained on filters is the most common and practical method for routine determination of the spectral light absorption coefficient of aquatic particles, ap(λ), at high spectral resolution over a broad spectral range. The use of differing geometrical measurement configurations and large variations in the reported correction for pathlength amplification induced by the particle/filter matrix have hindered adoption of an established measurement protocol. We describe results of dedicated laboratory experiments with a diversity of particulate sample types to examine variation in the pathlength amplification factor for three filter measurement geometries; the filter in the transmittance configuration (T), the filter in the transmittance-reflectance configuration (T-R), and the filter placed inside an integrating sphere (IS). Relationships between optical density measured on suspensions (ODs) and filters (ODf) within the visible portion of the spectrum were evaluated for the formulation of pathlength amplification correction, with power functions providing the best functional representation of the relationship for all three geometries. Whereas the largest uncertainties occur in the T method, the IS method provided the least sample-to-sample variability and the smallest uncertainties in the relationship between ODs and ODf. For six different samples measured with 1 nm resolution within the light wavelength range from 400 to 700 nm, a median error of 7.1% is observed for predicted values of ODs using the IS method. The relationships established for the three filter-pad methods are applicable to historical and ongoing measurements; for future work, the use of the IS method is recommended whenever feasible. PMID:26368092

  11. Qualitative and Quantitative Content Determination of Macro-Minor Elements in Bryonia Alba L. Roots using Flame Atomic Absorption Spectroscopy Technique

    PubMed Central

    Karpiuk, Uliana Vladimirovna; Al Azzam, Khaldun Mohammad; Abudayeh, Zead Helmi Mahmoud; Kislichenko, Viktoria; Naddaf, Ahmad; Cholak, Irina; Yemelianova, Oksana

    2016-01-01

    Purpose: To determine the elements in Bryonia alba L. roots, collected from the Crimean Peninsula region in Ukraine. Methods: Dry ashing was used as a flexible method and all elements were determined using atomic absorption spectrometry (AAS) equipped with flame and graphite furnace. Results: The average concentrations of the determined elements, expressed as mg/100 g dry weight of the sample, were as follow: 13.000 for Fe, 78.000 for Si, 88.000 for P, 7.800 for Al, 0.130 for Mn, 105.000 for Mg, 0.030 for Pb, 0.052 for Ni, 0.030 for Mo, 210.000 for Ca, 0.130 for Cu, 5.200 for Zn, 13.000 for Na, 1170.000 for K, 0.780 for Sr, 0.030 for Co, 0.010 for Cd, 0.010 for As, and 0.010 for Hg. Toxic elements such as Cd and Pb were also found but at very low concentration. Among the analyzed elements, K was the most abundant followed by Ca, Mg, P, Si, Fe, Na, and Zn, whereas Hg, As, Cd, Co, Mo, and Pb were found in low concentration. Conclusion: The results suggest that the roots of Bryonia alba L. plant has potential medicinal property through their high element contents present. Moreover, it showed that the AAS method is a simple, fast, and reliable for the determination of elements in plant materials. The obtained results of the current study provide justification for the usage of such fruit in daily diet for nutrition and for medicinal usage in the treatment of various diseases. PMID:27478794

  12. ABSORPTION ANALYZER

    DOEpatents

    Brooksbank, W.A. Jr.; Leddicotte, G.W.; Strain, J.E.; Hendon, H.H. Jr.

    1961-11-14

    A means was developed for continuously computing and indicating the isotopic assay of a process solution and for automatically controlling the process output of isotope separation equipment to provide a continuous output of the desired isotopic ratio. A counter tube is surrounded with a sample to be analyzed so that the tube is exactly in the center of the sample. A source of fast neutrons is provided and is spaced from the sample. The neutrons from the source are thermalized by causing them to pass through a neutron moderator, and the neutrons are allowed to diffuse radially through the sample to actuate the counter. A reference counter in a known sample of pure solvent is also actuated by the thermal neutrons from the neutron source. The number of neutrons which actuate the detectors is a function of a concentration of the elements in solution and their neutron absorption cross sections. The pulses produced by the detectors responsive to each neu tron passing therethrough are amplified and counted. The respective times required to accumulate a selected number of counts are measured by associated timing devices. The concentration of a particular element in solution may be determined by utilizing the following relation: T2/Ti = BCR, where B is a constant proportional to the absorption cross sections, T2 is the time of count collection for the unknown solution, Ti is the time of count collection for the pure solvent, R is the isotopic ratlo, and C is the molar concentration of the element to be determined. Knowing the slope constant B for any element and when the chemical concentration is known, the isotopic concentration may be readily determined, and conversely when the isotopic ratio is known, the chemical concentrations may be determined. (AEC)

  13. Spectroscopic Binary Stars

    NASA Astrophysics Data System (ADS)

    Batten, A.; Murdin, P.

    2000-11-01

    Historically, spectroscopic binary stars were binary systems whose nature was discovered by the changing DOPPLER EFFECT or shift of the spectral lines of one or both of the component stars. The observed Doppler shift is a combination of that produced by the constant RADIAL VELOCITY (i.e. line-of-sight velocity) of the center of mass of the whole system, and the variable shift resulting from the o...

  14. Quantitative infrared spectroscopic method for the study of the hydration of ions in aqueous solutions

    SciTech Connect

    Kristiansson, O.; Lindgren, J.; de Villepin, J.

    1988-05-05

    An infrared spectroscopic method for the study of the hydration of ions in aqueous solutions has been developed. OD stretching bands of isotopically dilute HDO molecules in the first hydration sphere of ions are obtained when the absorption from H/sub 2/O molecules and HDO molecules in the bulk water are removed by a double difference technique. The method is applied to aqueous solutions of Ni(ClO/sub 4/)/sub 2/, Ni(BF/sub 4/)/sub 2/, and Ni(PF/sub 6/)/sub 2/. Coordination numbers of 4.6 +/- 0.8 for the ClO/sub 4//sup -/ anion and 3.9 +/- 0.8 for the BF/sub 4//sup -/ anion are obtained. A systematic study of the influence of different salt and HDO concentrations has been undertaken. It is found that Lambert-Beer's law is valid in the concentration ranges studied.

  15. In vivo Photoacoustic Spectroscopic Imaging of Hemoglobin Derivatives in Thermally Damaged Tissue

    NASA Astrophysics Data System (ADS)

    Aizawa, Kazuya; Sato, Shunichi; Saitoh, Daizoh; Ashida, Hiroshi; Obara, Minoru

    2009-06-01

    Photoacoustic (PA) spectroscopic measurement was performed for thermally damaged skin in a rat in vivo to analyze hemoglobin derivatives in the tissue. We observed PA signals at around 500 and 633 nm, which are center wavelengths of methemoglobin (MetHb) absorption peaks, at depths corresponding the uppermost dermis (˜0.16 mm) and hair follicles (˜0.62 mm), indicating formation of MetHb in these tissue regions. By scanning a PA detector on the tissue, two-dimensional PA images (tomograms) were produced. Subtraction imaging technique was used for multispectral PA tomograms to analyze specific components of hemoglobin derivatives in the tissue, by which the contrast of oxyhemogobin (HbO2)-associated PA signal has been improved and the distribution of PA signal that seems to reflect the concentration of MetHb has been visualized.

  16. Spectroscopic properties of ethyl 5-(4-aminophenyl)-3-amino-2,4-dicyanobenzoate

    NASA Astrophysics Data System (ADS)

    Józefowicz, M.; Aleksiejew, M.; Heldt, J. R.; Bajorek, A.; Pączkowski, J.; Heldt, J.

    2007-09-01

    The luminescence properties of ethyl 5-(4-aminophenyl)-3-amino-2,4-dicyanobenzoate (EAADCy) have been studied using steady-state, time-resolved spectroscopic techniques, electrochemical measurements and semiempirical calculations. A series of photophysical measurements and quantum-chemical calculations were carried out with EAADCy in search of an evidence of the occurrence of the aniline group rotation. Studies in different solvents, as well as semiempirical calculations, indicate that conformations with donor and acceptor groups coplanar absorb and emit at wavelengths that are longer than those observed for donor-acceptor groups oriented orthogonally. The values of the dipole moments of planar and perpendicular form of molecule under study were estimated from solvatochromic shifts of absorption and fluorescence spectra as a function of the solvent dielectric constant and refractive index. Experimentally calculated changes of the dipole moment values are in fair agreement with semiempirical computational predictions.

  17. High-definition Fourier transform infrared spectroscopic imaging of prostate tissue

    NASA Astrophysics Data System (ADS)

    Wrobel, Tomasz P.; Kwak, Jin Tae; Kadjacsy-Balla, Andre; Bhargava, Rohit

    2016-03-01

    Histopathology forms the gold standard for cancer diagnosis and therapy, and generally relies on manual examination of microscopic structural morphology within tissue. Fourier-Transform Infrared (FT-IR) imaging is an emerging vibrational spectroscopic imaging technique, especially in a High-Definition (HD) format, that provides the spatial specificity of microscopy at magnifications used in diagnostic surgical pathology. While it has been shown for standard imaging that IR absorption by tissue creates a strong signal where the spectrum at each pixel is a quantitative "fingerprint" of the molecular composition of the sample, here we show that this fingerprint also enables direct digital pathology without the need for stains or dyes for HD imaging. An assessment of the potential of HD imaging to improve diagnostic pathology accuracy is presented.

  18. Identification and classification of chemicals using terahertz reflective spectroscopic focal-plane imaging system

    NASA Astrophysics Data System (ADS)

    Zhong, Hua; Redo-Sanchez, Albert; Zhang, X.-C.

    2006-10-01

    We present terahertz (THz) reflective spectroscopic focal-plane imaging of four explosive and bio-chemical materials (2, 4-DNT, Theophylline, RDX and Glutamic Acid) at a standoff imaging distance of 0.4 m. The 2 dimension (2-D) nature of this technique enables a fast acquisition time and is very close to a camera-like operation, compared to the most commonly used point emission-detection and raster scanning configuration. The samples are identified by their absorption peaks extracted from the negative derivative of the reflection coefficient respect to the frequency (-dr/dv) of each pixel. Classification of the samples is achieved by using minimum distance classifier and neural network methods with a rate of accuracy above 80% and a false alarm rate below 8%. This result supports the future application of THz time-domain spectroscopy (TDS) in standoff distance sensing, imaging, and identification.

  19. Fluorescence Spectroscopic Properties of Normal and Abnormal Biomedical Materials

    NASA Astrophysics Data System (ADS)

    Pradhan, Asima

    Steady state and time-resolved optical spectroscopy and native fluorescence is used to study the physical and optical properties occurring in diseased and non-diseased biological human tissue, in particular, cancer of the human breast, artery and the dynamics of a photosensitizer useful in photodynamic therapy. The main focus of the research is on the optical properties of cancer and atherosclerotic tissues as compared to their normal counterparts using the different luminescence based spectroscopic techniques such as steady state fluorescence, time-resolved fluorescence, excitation spectroscopy and phosphorescence. The excitation and steady-state spectroscopic fluorescence using visible excitation wavelength displays a difference between normal and malignant tissues. This difference is attributed to absorption of the emission by hemoglobin in normal tissues. This method using 488nm fails to distinguish neoplastic tissue such as benign tissues and tumors from malignant tumors. The time-resolved fluorescence at visible, near -uv and uv excitation wavelengths display non-exponential profiles which are significantly different for malignant tumors as compared to non-malignant tissues only with uv excitation. The differences observed with visible and near-uv excitation wavelengths are not as significant. The non-exponential profiles are interpreted as due to a combination of fluorophores along with the action of non-radiative processes. Low temperature luminescence studies confirm the occurrence of non-radiative decay processes while temporal studies of various relevant biomolecules indicate the probable fluorophores responsible for the observed signal in tissues. Phosphorescence from human tissues have been observed for the first time and lifetimes of a few hundred nanoseconds are measured for malignant and benign tissues. Time-resolved fluorescence studies of normal artery and atherosclerotic plaque have shown that a combination of two excitation wavelengths can

  20. Spectroscopic Properties of Anisole at the Air-Ice Interface: A Combined Experimental-Computational Approach.

    PubMed

    Malongwe, Joseph K'Ekuboni; Nachtigallová, Dana; Corrochano, Pablo; Klán, Petr

    2016-06-14

    A combined experimental and computational approach was used to investigate the spectroscopic properties of anisole in aqueous solutions and at the ice-air interface in the temperature range of 77-298 K. The absorption, diffuse reflectance, and emission spectra of ice samples containing anisole prepared by different techniques, such as slow freezing (frozen aqueous solutions), shock freezing (ice grains), or anisole vapor deposition on ice grains, were measured to evaluate changes in the contaminated ice matrix that occur at different temperatures. It was found that the position of the lowest absorption band of anisole and its tail shift bathochromically by ∼4 nm in frozen samples compared to liquid aqueous solutions. On the other hand, the emission spectra of aqueous anisole solutions were found to fundamentally change upon freezing. While one emission band (∼290 nm) was observed under all circumstances, the second band at ∼350 nm, assigned to an anisole excimer, appeared only at certain temperatures (150-250 K). Its disappearance at lower temperatures is attributed to the formation of crystalline anisole on the ice surface. DFT and ADC(2) calculations were used to interpret the absorption and emission spectra of anisole monomer and dimer associates. Various stable arrangements of the anisole associates were found at the disordered water-air interface in the ground and excited states, but only those with a substantial overlap of the aromatic rings are manifested by the emission band at ∼350 nm. PMID:27243785

  1. Absorption, Distribution, Metabolism, Excretion, and Toxicity Evaluation in Drug Discovery. 14. Prediction of Human Pregnane X Receptor Activators by Using Naive Bayesian Classification Technique.

    PubMed

    Shi, Huali; Tian, Sheng; Li, Youyong; Li, Dan; Yu, Huidong; Zhen, Xuechu; Hou, Tingjun

    2015-01-20

    The activation of pregnane X receptor (PXR), a member of the nuclear receptor (NR) superfamily, can mediate potential drug-drug interactions, and therefore, prediction of PXR activation is of great importance for evaluating drug metabolism and toxicity. In this study, based on 532 structurally diverse compounds, we present a comprehensive analysis with the aim to build accurate classification models for distinguishing PXR activators from nonactivators by using a naive Bayesian classification technique. First, the distributions of eight important molecular physicochemical properties of PXR activators versus nonactivators were compared, illustrating that the hydrophobicity-related molecular descriptors (AlogP and log D) show slightly better capability to discriminate PXR activators from nonactivators than the others. Then, based on molecular physicochemical properties, VolSurf descriptors, and molecular fingerprints, naive Bayesian classifiers were developed to separate PXR activators from nonactivators. The results demonstrate that the introduction of molecular fingerprints is quite essential to enhance the prediction accuracy of the classifiers. The best Bayesian classifier based on the 21 physicochemical properties, VolSurf descriptors, and LCFC_10 fingerprints descriptors yields a prediction accuracy of 92.7% for the training set based on leave-one-out (LOO) cross-validation and of 85.2% for the test set. Moreover, by exploring the important structural fragments derived from the best Bayesian classifier, we observed that flexibility is an important structural pattern for PXR activation. In addition, chemical compounds containing more halogen atoms, unsaturated alkanes chains relevant to π-π stacking, and fewer nitrogen atoms tend to be PXR activators. We believe that the naive Bayesian classifier can be used as a reliable virtual screening tool to predict PXR activation in the drug design and discovery pipeline.

  2. Assessment of recent advances in measurement techniques for atmospheric carbon dioxide and methane observations

    NASA Astrophysics Data System (ADS)

    Zellweger, Christoph; Emmenegger, Lukas; Firdaus, Mohd; Hatakka, Juha; Heimann, Martin; Kozlova, Elena; Spain, T. Gerard; Steinbacher, Martin; van der Schoot, Marcel V.; Buchmann, Brigitte

    2016-09-01

    Until recently, atmospheric carbon dioxide (CO2) and methane (CH4) measurements were made almost exclusively using nondispersive infrared (NDIR) absorption and gas chromatography with flame ionisation detection (GC/FID) techniques, respectively. Recently, commercially available instruments based on spectroscopic techniques such as cavity ring-down spectroscopy (CRDS), off-axis integrated cavity output spectroscopy (OA-ICOS) and Fourier transform infrared (FTIR) spectroscopy have become more widely available and affordable. This resulted in a widespread use of these techniques at many measurement stations. This paper is focused on the comparison between a CRDS "travelling instrument" that has been used during performance audits within the Global Atmosphere Watch (GAW) programme of the World Meteorological Organization (WMO) with instruments incorporating other, more traditional techniques for measuring CO2 and CH4 (NDIR and GC/FID). We demonstrate that CRDS instruments and likely other spectroscopic techniques are suitable for WMO/GAW stations and allow a smooth continuation of historic CO2 and CH4 time series. Moreover, the analysis of the audit results indicates that the spectroscopic techniques have a number of advantages over the traditional methods which will lead to the improved accuracy of atmospheric CO2 and CH4 measurements.

  3. Influence of vapor transport equilibration on spectroscopic parameters of Er3+ in LiNbO3 crystals

    NASA Astrophysics Data System (ADS)

    Zhang, De-Long; Wang, Dun-Chun; Pun, E. Y. B.

    2005-05-01

    A number of X-, Y- and Z-cut Er(/Yb):LiNbO3 crystals with six different doping levels of rare earth ions were annealed at 1110 °C for 120 h using the vapor transport equilibration (VTE) technique. At room temperature, -polarized or unpolarized absorption spectra of these VTE-treated crystals and corresponding as-grown crystals were recorded in the wavelength range 280-1700 nm. The absorption characteristics of the VTE-treated crystals are summarized and compared with those of the as-grown crystals. The (Li+ + RE3+)/Nb5+(RE3+ = Er3+ or Er3+ + Yb3+) ratios in the VTE-treated Er(/Yb):LiNbO3 crystals were evaluated using the optical absorption edge or Raman linewidth of the 153 cm-1 E(TO) phonon. Based upon the measured spectral data, spectroscopic parameters of Er3+ ions in as-grown and VTE-treated crystals were calculated using the Judd-Ofelt (J-O) theory. The influences of Er3+ doping level, type of crystal cut and VTE treatment on the key spectroscopic parameters, including integrated absorption coefficient, oscillator strength, J-O parameters and radiative lifetimes of three dominant emission manifolds (4I13/2 (1530 nm), 4F9/2 (660 nm) and 4S3/2 (560 nm)), are discussed and summarized and compared with the results for as-grown crystals. The results for as-grown crystals are also compared with those reported previously. The present theoretical result concerning the VTE effect on the 1530 nm lifetime is in rough agreement with the experimental result reported previously.

  4. Modular total absorption spectrometer

    NASA Astrophysics Data System (ADS)

    Karny, M.; Rykaczewski, K. P.; Fijałkowska, A.; Rasco, B. C.; Wolińska-Cichocka, M.; Grzywacz, R. K.; Goetz, K. C.; Miller, D.; Zganjar, E. F.

    2016-11-01

    The design and performance of the Modular Total Absorption Spectrometer built and commissioned at the Oak Ridge National Laboratory is presented. The active volume of the detector is approximately one ton of NaI(Tl), which results in very high full γ energy peak efficiency of 71% at 6 MeV and nearly flat efficiency of around 81.5% for low energy γ-rays between 300 keV and 1 MeV. In addition to the high peak efficiency, the modular construction of the detector permits the use of a γ-coincidence technique in data analysis as well as β-delayed neutron observation.

  5. Atomic oxygen effects on thin film space coatings studied by spectroscopic ellipsometry, atomic force microscopy, and laser light scattering

    NASA Technical Reports Server (NTRS)

    Synowicki, R. A.; Hale, Jeffrey S.; Woollam, John A.

    1992-01-01

    The University of Nebraska is currently evaluating Low Earth Orbit (LEO) simulation techniques as well as a variety of thin film protective coatings to withstand atomic oxygen (AO) degradation. Both oxygen plasma ashers and an electron cyclotron resonance (ECR) source are being used for LEO simulation. Thin film coatings are characterized by optical techniques including Variable Angle Spectroscopic Ellipsometry, Optical spectrophotometry, and laser light scatterometry. Atomic Force Microscopy (AFM) is also used to characterize surface morphology. Results on diamondlike carbon (DLC) films show that DLC degrades with simulated AO exposure at a rate comparable to Kapton polyimide. Since DLC is not as susceptible to environmental factors such as moisture absorption, it could potentially provide more accurate measurements of AO fluence on short space flights.

  6. Flux measurements using the BATSE spectroscopic detectors

    NASA Technical Reports Server (NTRS)

    Mcnamara, Bernard

    1993-01-01

    Among the Compton Gama-Ray Observatory instruments, the BATSE Spectroscopic Detectors (SD) have the distinction of being able to detect photons of energies less than about 20 keV. This is an interesting energy range for the examination of low mass X-ray binaries (LMXB's). In fact, Sco X-1, the prototype LMXB, is easily seen even in the raw BATSE spectroscopic data. The all-sky coverage afforded by these detectors offers a unique opportunity to monitor this source over time periods never before possible. The aim of this investigation was to test a number of ways in which both continous and discrete flux measurements can be obtained using the BATSE spectroscopic datasets. A instrumental description of a SD can be found in the Compton Workshop of Apr. 1989, this report will deal only with methods which can be used to analyze its datasets. Many of the items discussed below, particularly in regard to the earth occultation technique, have been developed, refined, and applied by the BATSE team to the reduction of BATSE LAD data. Code written as part of this project utilizes portions of that work. The following discussions will first address issues related to the reduction of SD datasets using the earth occultation technique. It will then discuss methods for the recovery of the flux history of strong sources while they are above the earth's limb. The report will conclude with recommended reduction procedures.

  7. LIBS spectroscopic classification relative to compressive sensing

    NASA Astrophysics Data System (ADS)

    Griffin, Steven T.; Jacobs, Eddie; Furxhi, Orges

    2011-05-01

    Laser Induced Breakdown Spectroscopy (LIBS) utilizes a diversity of standard spectroscopic techniques for classification of materials present in the sample. Pre-excitation processing sometimes limits the analyte to a short list of candidates. Prior art demonstrates that sparsity is present in the data. This is sometimes characterized as identification by components. Traditionally, spectroscopic identification has been accomplished by an expert reader in a manner typical for MRI images in the medicine. In an effort to automate this process, more recent art has emphasized the use of customized variations to standard classification algorithms. In addition, formal mathematical proofs for compressive sensing have been advanced. Recently the University of Memphis has been contracted by the Spectroscopic Materials Identification Center to advance and characterize the sensor research and development related to LIBS. Applications include portable standoff sensing for improvised explosive device detection and related law enforcement and military applications. Reduction of the mass, power consumption and other portability parameters is seen as dependent on classification choices for a LIBS system. This paper presents results for the comparison of standard LIBS classification techniques to those implied by Compressive Sensing mathematics. Optimization results and implications for portable LIBS design are presented.

  8. Gastrointestinal citrate absorption in nephrolithiasis

    NASA Technical Reports Server (NTRS)

    Fegan, J.; Khan, R.; Poindexter, J.; Pak, C. Y.

    1992-01-01

    Gastrointestinal absorption of citrate was measured in stone patients with idiopathic hypocitraturia to determine if citrate malabsorption could account for low urinary citrate. Citrate absorption was measured directly from recovery of orally administered potassium citrate (40 mEq.) in the intestinal lavage fluid, using an intestinal washout technique. In 7 stone patients citrate absorption, serum citrate levels, peak citrate concentration in serum and area under the curve were not significantly different from those of 7 normal subjects. Citrate absorption was rapid and efficient in both groups, with 96 to 98% absorbed within 3 hours. The absorption of citrate was less efficient from a tablet preparation of potassium citrate than from a liquid preparation, probably due to a delayed release of citrate from wax matrix. However, citrate absorption from solid potassium citrate was still high at 91%, compared to 98% for a liquid preparation. Thus, hypocitraturia is unlikely to be due to an impaired gastrointestinal absorption of citrate in stone patients without overt bowel disease.

  9. NO plume mapping by laser-radar techniques.

    PubMed

    Edner, H; Sunesson, A; Svanberg, S

    1988-09-01

    Mapping of NO plumes by using laser-radar techniques has been demonstrated with a mobile differential absorption lidar system. The system was equipped with a narrow-linewidth Nd:YAG-pumped dye laser that, with doubling and mixing, generated pulse energies of 3-5 mJ at 226 nm, with a linewidth of 1pm. This permitted range-resolved measurements of NO, with a range of about 500 m. The detection limit was estimated to 3 microg/m(3), with an integration interval of 350 m. Spectroscopic studies on the gamma(0, 0) bandhead near 226.8 nm were performed with 1-pm resolution, and the differential absorption cross section was determined to be (6.6 +/- 0.6) x 10(-22) m(2), with a wavelength difference of 12 pm.

  10. Fluorescent spectroscopy, a technique for characterizing surface films

    USGS Publications Warehouse

    Goldberg, Marvin C.; Devonald, David H.

    1973-01-01

    A relationship is established between fluorescent spectra obtained by using a light path through the liquid solution and the fluorescent spectra obtained by a direct reading of surface reflection (remote sensing). A brief review of quantum fundamentals provides the necessary information to conclude that "see-through" and reflectance spectra are identical in wavelength response. Many floating films contain fluorescent materials; thus fluorescent spectroscopic techniques were used to obtain the fluorescent spectra of lube oil, crude oil, andlignosulfonie acid in an effort to detect, identify, and quantify these representative fluorescent materials in water solutions. For each material tested the emission maximum was established. The emission maximum was then held constant while the absorption spectrum was recorded and the absorption maximum established. The complete spectral curves are presented.

  11. Arsenic in Ironite fertilizer: The absorption by hamsters and the chemical form

    SciTech Connect

    Aposhian, M.M.; Koch, I.; Avram, M.D.; Chowdhury, U.K.; Smith, P.G.; Reimer, K.J.; Aposhian, H.V.

    2009-09-11

    We determined the gastrointestinal absorption of the arsenic in Ironite, a readily available fertilizer, for male hamsters (Golden Syrian), considered to be an excellent model for how the human processes inorganic arsenic. Urine and feces were collected after administering an aqueous suspension of Ironite by stomach tube. In addition, we studied the forms and oxidation states of arsenic in Ironite by synchrotron spectroscopic techniques. The absorption of the arsenic in Ironite (1-0-0) was 21.2% and the absorption relative to sodium arsenite was 31.0%. Our results using XANES spectra determinations indicate that Ironite contains scorodite (AsV) as well as previously reported arsenopyrite (As(-1)). Since the 1-0-0 Ironite is readily available for purchase, its risk assessment for children by professionals is recommended. This is especially important because it is used to fertilize large areas of grass in playgrounds and parks where children play. The absorption of the arsenic in it, the hand to mouth activity of children, and the potential of ground water contamination makes the use of 1-0-0 Ironite as a fertilizer a potential environmental hazard.

  12. Multiwavelength diode-laser absorption spectroscopy using external intensity modulation by semiconductor optical amplifiers.

    PubMed

    Karagiannopoulos, Solon; Cheadle, Edward; Wright, Paul; Tsekenis, Stylianos; McCann, Hugh

    2012-12-01

    A novel opto-electronic scheme for line-of-sight Near-IR gas absorption measurement based on direct absorption spectroscopy (DAS) is reported. A diode-laser-based, multiwavelength system is designed for future application in nonintrusive, high temporal resolution tomographic imaging of H2O in internal combustion engines. DAS is implemented with semiconductor optical amplifiers (SOAs) to enable wavelength multiplexing and to induce external intensity modulation for phase-sensitive detection. Two overtone water transitions in the Near-IR have been selected for ratiometric temperature compensation to enable concentration measurements, and an additional wavelength is used to account for nonabsorbing attenuation. A wavelength scanning approach was used to evaluate the new modulation technique, and showed excellent absorption line recovery. Fixed-wavelength, time-division-multiplexing operation with SOAs has also been demonstrated. To the best of our knowledge this is the first time SOAs have been used for modulation and switching in a spectroscopic application. With appropriate diode laser selection this scheme can be also used for other chemical species absorption measurements. PMID:23207374

  13. Multiwavelength diode-laser absorption spectroscopy using external intensity modulation by semiconductor optical amplifiers.

    PubMed

    Karagiannopoulos, Solon; Cheadle, Edward; Wright, Paul; Tsekenis, Stylianos; McCann, Hugh

    2012-12-01

    A novel opto-electronic scheme for line-of-sight Near-IR gas absorption measurement based on direct absorption spectroscopy (DAS) is reported. A diode-laser-based, multiwavelength system is designed for future application in nonintrusive, high temporal resolution tomographic imaging of H2O in internal combustion engines. DAS is implemented with semiconductor optical amplifiers (SOAs) to enable wavelength multiplexing and to induce external intensity modulation for phase-sensitive detection. Two overtone water transitions in the Near-IR have been selected for ratiometric temperature compensation to enable concentration measurements, and an additional wavelength is used to account for nonabsorbing attenuation. A wavelength scanning approach was used to evaluate the new modulation technique, and showed excellent absorption line recovery. Fixed-wavelength, time-division-multiplexing operation with SOAs has also been demonstrated. To the best of our knowledge this is the first time SOAs have been used for modulation and switching in a spectroscopic application. With appropriate diode laser selection this scheme can be also used for other chemical species absorption measurements.

  14. Transient absorption lineshapes in a dense, laser-dressed Helium target probed by attosecond pulse trains

    NASA Astrophysics Data System (ADS)

    Liao, Chen-Ting; Timmers, Henry; Sandhu, Arvinder

    2014-05-01

    Attosecond transient absorption is an emerging time-resolved spectroscopic technique to explore electron dynamics in atoms and molecules. In this experimental study, we used extreme ultraviolet (XUV) attosecond pulse trains (APTs) in energy range of 20-25 eV to probe the transient excited-state absorption of an optically thick Helium gas sample under the influence of moderately strong (1-3 TW/cm2) , infrared (IR), femtosecond pump pulse. We found that the resonant absorption lineshapes for Helium 1s2p, 1snp, and continuum states show rich dynamics, evolving between Lorenzian and Fano profiles with phases imposed by IR laser pulse and multi-channel quantum-path interference. Both AC Stark shifts and light-induced states were studied as a function of pump-probe delay and IR intensity. By changing the Helium gas density, we observed the lineshape modification due to the macroscopic propagation effects, which is usually not included in the single-atom response model. We found that the 13th and 15th high harmonics of XUV produce two coupled polarizations, and the relative coherence between these two polarizations changes the absorption even when the IR pulse arrives after a long time (about 500 fs) after the XUV. This work is supported by NSF Grant No. PHY-0955274.

  15. Isolation and spectroscopic characterization of a recombinant bell pepper hydroperoxide lyase.

    PubMed

    Psylinakis, E; Davoras, E M; Ioannidis, N; Trikeriotis, M; Petrouleas, V; Ghanotakis, D F

    2001-09-28

    Fatty acid hydroperoxide (HPO) lyase is a component of the oxylipin pathway and holds a central role in elicited plant defense. HPO lyase from bell pepper has been identified as a heme protein which shares 40% homology with allene oxide synthase, a cytochrome P450 (CYP74A). HPO lyase of immature bell pepper fruits was expressed in Escherichia coli and the enzyme was purified and characterized by spectroscopic techniques. The electronic structure and ligand coordination properties of the heme were investigated by using a series of exogenous ligands. The various complexes were characterized by using UV-visible absorption and electron paramagnetic resonance spectroscopy. The spectroscopic data demonstrated that the isolated recombinant HPO lyase has a pentacoordinate, high-spin heme with thiolate ligation. Addition of the neutral ligand imidazole or the anionic ligand cyanide results in the formation of hexacoordinate adducts that retain thiolate ligation. The striking similarities between both the ferric and ferrous HPO lyase-NO complexes with the analogous P450 complexes, suggest that the active sites of HPO lyase and P450 share common structural features.

  16. Spectroscopic properties in Er3+/Yb3+ Co-doped fluorophosphate glass

    NASA Astrophysics Data System (ADS)

    Zheng, Tao; Qin, Jie-Ming; Jiang, Da-Yong; Lü, Jing-Wen; Xiao, Sheng-Chun

    2012-04-01

    Using the technique of high-temperature melting, a new Er3+/Yb3+ co-doped fluorophosphate glass was prepared. The absorption and fluorescence spectra were investigated in depth. The effect of Er3+ and Yb3+ concentration on the spectroscopic properties of the glass sample was also discussed. According to the Judd—Ofelt theory, the oscillator strength was computed. The lifetime of 4I13/2 level (τm) of Er3+ ions was 8.23 ms, and the full width at half maximum of the dominating emission peak was 68 nm at 1.53 μm. The large stimulated emission cross section of the Er3+ was calculated by the McCumber theory. The spectroscopic properties of Er3+ ion were compared with those in different glasses. The full width at half maximum and σe are larger than those of other glass hosts, indicating this studied glass may be a potentially useful candidate for high-gain erbium-doped fiber amplifier.

  17. Terahertz spectroscopic investigation of methylenedioxy amphetamine

    NASA Astrophysics Data System (ADS)

    Wang, Guangqin; Shen, Jingling

    2008-03-01

    Experimental measurement and theoretical analysis of THz spectrum for methylenedioxy amphetamine are introduced. The refractive index and absorption coefficient of the sample were observed by terahertz time-domain spectroscopy (THz-TDS) technique in the range of 0.2~2.6 THz. It exhibits obvious absorption feature at 1.40 THz and weak THz absorption at around 1.68 and 2.21 THz. The spectral absorption characteristic in THz band was useful for the inspection and identification of drugs using THz-TDS. The theoretical calculation was performed using Density functional theory (DFT) with the GAUSSIAN 03 software package. Fully geometry optimization and frequency analysis of the optimized structure were performed at the B3LYP/6-21G levels. The simulated absorption spectrum was in agreement with the experimental data, and can hence be used for the assignment of observed THz spectrum. The theoretical simulation result showed that absorption peaks mainly result from intra-molecule and inter-molecule vibrations, different absorption peaks are corresponding to different vibrational modes and intensity. So the combination of the THz-TDS and DFT is an effective way to investigate characteristic spectra of illicit drugs.

  18. New infrared spectroscopic database for bromine nitrate

    NASA Astrophysics Data System (ADS)

    Wagner, Georg; Birk, Manfred

    2016-08-01

    Fourier transform infrared measurements of bromine nitrate have been performed in the spectral region 675-1400 cm-1 at 0.014 cm-1 spectral resolution. Absorption cross sections were derived from 38 spectra covering the temperature range from 203 to 296 K and air pressure range from 0 to 190 mbar. For line-by-line analysis, further spectra were recorded at 0.00094 cm-1 spectral resolution at 223 and 293 K. The sample was synthesized from ClONO2 and Br2. Band strengths of the bands ν3 around 803 cm-1 and ν2 around 1286 cm-1 were determined from three pure BrONO2 measurements at different temperatures and pressures. Number densities in the absorption cell were derived from pressure measurements of the purified sample taking into account small amounts of impurities determined spectroscopically. Resulting band strengths are Sν3 = 2.872(52) × 10-17 cm2 molec-1 cm-1 and Sν2 = 3.63(15) × 10-17 cm2 molec-1 cm-1. Absorption cross sections of all measurements were scaled to these band strengths. Further data reduction was achieved with an interpolation scheme based on two-dimensional polynomials in ln(pressure) and temperature. The database is well-suited for remote-sensing application and should reduce the atmospheric bromine nitrate error budget substantially.

  19. Investigation of infrared spectra of atmospheric gases to support stratospheric spectroscopic investigations

    NASA Technical Reports Server (NTRS)

    Shaw, J. H.

    1980-01-01

    Spectroscopic instrumentation and the absorption characteristics of atmospheric gases are discussed in relation to the requirements of spectroscopic stratospheric experiments. Improvement in the spectral resolution, accuracy of the line parameters, and the ranges of atmospheric conditions over which information is to be obtained are among the factors considered. Methods of simultaneously analyzing entire bands containing many lines were developed and applied to the analysis of bands of N20 and CO2. Progress in this analysis is reported.

  20. The Time Domain Spectroscopic Survey: Spectroscopic Variability Investigations Within SDSS-IV/eBOSS

    NASA Astrophysics Data System (ADS)

    Green, Paul J.; Anderson, Scott F.; Morganson, Eric; Eracleous, Michael; Shen, Yue; Brandt, W. Niel; Ruan, John J.; Schmidt, Sarah J.; Badenes, Carles; West, Andrew A.; Ju, Wenhua; Greene, Jenny E.; Tdss, Panstarrs-1, Sdss-Iv

    2015-01-01

    The Time Domain Spectroscopic Survey (TDSS) is an SDSS-IV subproject that began summer 2014 and will continue for 4-6 years. Besides its main program to obtain initial characterization spectra of about 220,000 optical variables selected from PanSTARRS-1, the TDSS includes 9 separate smaller programs to study spectroscopic variability. We describe each of these Few-Epoch Spectroscopy (FES) programs, which target objects with existing SDSS spectroscopy amongst classes of quasars and stars of particular astrophysical interest. These include, in approximate order of decreasing sample size: Broad Absorption Line Quasars (BALQSOs), the most photometrically variable ("HyperVariable") quasars, high S/N normal broad line quasars, quasars with double-peaked or very asymmetric broad emission line profiles, Hypervariable stars, active ultracool (late-M and L-type) dwarf stars with Halpha emission, dwarf carbon stars, white dwarf/M dwarf spectroscopic binaries with Halpha emission, and binary supermassive black hole candidates from MgII broad line velocity shift analysis. We summarize herein the unique and diverse astrophysical investigations facilitated by these TDSS FES programs.

  1. New method for determination of the photoresist Dill parameters using spectroscopic ellipsometry

    NASA Astrophysics Data System (ADS)

    Boher, Pierre; Defranoux, Christophe; Piel, Jean-Philippe; Stehle, Jean-Louis P.

    1999-06-01

    In this paper a new method to determine photoresist DIll parameters is presented. Based on spectroscopic ellipsometry (SE) measurements, this new method is more precise than standard techniques based on transmittance measurements. Indeed, compared to photometry, SE technique is a self calibrated technique which provide directly two independent parameters Tan (Psi) and Cos (Delta) which can be used to extract directly thickness but also optical indices of a layer inside a multilayer structure. Moreover, the wavelength dependence introduces more restrictions for the data analysis since thickness and optical indices can be deduced directly in many cases. We apply this technique to different kinds of photoresist designed for 365nm and 248nm. At each wavelength ellipsometric parameters are simulate directly versus the exposure dose without any assumption on the thickness and on the index of refraction evolution. On 365nm photoresist this new method provides Dill parameters in good agreement with the standard method. On 248nm photoresist we show that the influence of the exposure is more important on the refractive index and on the thickness of the layer than on its absorption.

  2. New method for determination of the photoresist Dill parameters using spectroscopic ellipsometry

    NASA Astrophysics Data System (ADS)

    Boher, Pierre; Defranoux, Christophe; Piel, Jean-Philippe; Stehle, Jean-Louis P.

    1999-04-01

    In this paper a new method to determine photoresist Dill parameters is presented. Based on spectroscopic ellipsometry (SE) measurements, this new method is more precise than standard techniques based on transmittance measurements. Indeed, compared to photometry, SE technique is a self calibrated technique which provide directly two independent parameters Tan (Psi) and Cos (Delta) which can be used to extract directly thickness but also optical indices of a layer inside a multilayer structure. Moreover, the wavelength dependence introduces more restrictions for the data analysis since thickness and optical indices can be deduced directly in many cases. We apply this technique to different kinds of photoresist designed for 365nm and 248nm. At each wavelength ellipsometric parameters are simulated directly versus the exposure dose without any assumption on the thickness and on the index of refraction evolution. On 365nm photoresist this new method provides Dill parameters in good agreement with the standard method. On 248nm photoresist we show that the influence of the exposure is more important on the refractive index and on the thickness of the layer than on its absorption.

  3. The GEISA Spectroscopic Database System in its latest Edition

    NASA Astrophysics Data System (ADS)

    Jacquinet-Husson, N.; Crépeau, L.; Capelle, V.; Scott, N. A.; Armante, R.; Chédin, A.

    2009-04-01

    GEISA (Gestion et Etude des Informations Spectroscopiques Atmosphériques: Management and Study of Spectroscopic Information)[1] is a computer-accessible spectroscopic database system, designed to facilitate accurate forward planetary radiative transfer calculations using a line-by-line and layer-by-layer approach. It was initiated in 1976. Currently, GEISA is involved in activities related to the assessment of the capabilities of IASI (Infrared Atmospheric Sounding Interferometer on board the METOP European satellite -http://earth-sciences.cnes.fr/IASI/)) through the GEISA/IASI database[2] derived from GEISA. Since the Metop (http://www.eumetsat.int) launch (October 19th 2006), GEISA/IASI is the reference spectroscopic database for the validation of the level-1 IASI data, using the 4A radiative transfer model[3] (4A/LMD http://ara.lmd.polytechnique.fr; 4A/OP co-developed by LMD and Noveltis with the support of CNES). Also, GEISA is involved in planetary research, i.e.: modelling of Titan's atmosphere, in the comparison with observations performed by Voyager: http://voyager.jpl.nasa.gov/, or by ground-based telescopes, and by the instruments on board the Cassini-Huygens mission: http://www.esa.int/SPECIALS/Cassini-Huygens/index.html. The updated 2008 edition of GEISA (GEISA-08), a system comprising three independent sub-databases devoted, respectively, to line transition parameters, infrared and ultraviolet/visible absorption cross-sections, microphysical and optical properties of atmospheric aerosols, will be described. Spectroscopic parameters quality requirement will be discussed in the context of comparisons between observed or simulated Earth's and other planetary atmosphere spectra. GEISA is implemented on the CNES/CNRS Ether Products and Services Centre WEB site (http://ether.ipsl.jussieu.fr), where all archived spectroscopic data can be handled through general and user friendly associated management software facilities. More than 350 researchers are

  4. Galaxy And Mass Assembly (GAMA): spectroscopic analysis

    NASA Astrophysics Data System (ADS)

    Hopkins, A. M.; Driver, S. P.; Brough, S.; Owers, M. S.; Bauer, A. E.; Gunawardhana, M. L. P.; Cluver, M. E.; Colless, M.; Foster, C.; Lara-López, M. A.; Roseboom, I.; Sharp, R.; Steele, O.; Thomas, D.; Baldry, I. K.; Brown, M. J. I.; Liske, J.; Norberg, P.; Robotham, A. S. G.; Bamford, S.; Bland-Hawthorn, J.; Drinkwater, M. J.; Loveday, J.; Meyer, M.; Peacock, J. A.; Tuffs, R.; Agius, N.; Alpaslan, M.; Andrae, E.; Cameron, E.; Cole, S.; Ching, J. H. Y.; Christodoulou, L.; Conselice, C.; Croom, S.; Cross, N. J. G.; De Propris, R.; Delhaize, J.; Dunne, L.; Eales, S.; Ellis, S.; Frenk, C. S.; Graham, Alister W.; Grootes, M. W.; Häußler, B.; Heymans, C.; Hill, D.; Hoyle, B.; Hudson, M.; Jarvis, M.; Johansson, J.; Jones, D. H.; van Kampen, E.; Kelvin, L.; Kuijken, K.; López-Sánchez, Á.; Maddox, S.; Madore, B.; Maraston, C.; McNaught-Roberts, T.; Nichol, R. C.; Oliver, S.; Parkinson, H.; Penny, S.; Phillipps, S.; Pimbblet, K. A.; Ponman, T.; Popescu, C. C.; Prescott, M.; Proctor, R.; Sadler, E. M.; Sansom, A. E.; Seibert, M.; Staveley-Smith, L.; Sutherland, W.; Taylor, E.; Van Waerbeke, L.; Vázquez-Mata, J. A.; Warren, S.; Wijesinghe, D. B.; Wild, V.; Wilkins, S.

    2013-04-01

    The Galaxy And Mass Assembly (GAMA) survey is a multiwavelength photometric and spectroscopic survey, using the AAOmega spectrograph on the Anglo-Australian Telescope to obtain spectra for up to ˜300 000 galaxies over 280 deg2, to a limiting magnitude of rpet < 19.8 mag. The target galaxies are distributed over 0 < z ≲ 0.5 with a median redshift of z ≈ 0.2, although the redshift distribution includes a small number of systems, primarily quasars, at higher redshifts, up to and beyond z = 1. The redshift accuracy ranges from σv ≈ 50 km s-1 to σv ≈ 100 km s-1 depending on the signal-to-noise ratio of the spectrum. Here we describe the GAMA spectroscopic reduction and analysis pipeline. We present the steps involved in taking the raw two-dimensional spectroscopic images through to flux-calibrated one-dimensional spectra. The resulting GAMA spectra cover an observed wavelength range of 3750 ≲ λ ≲ 8850 Å at a resolution of R ≈ 1300. The final flux calibration is typically accurate to 10-20 per cent, although the reliability is worse at the extreme wavelength ends, and poorer in the blue than the red. We present details of the measurement of emission and absorption features in the GAMA spectra. These measurements are characterized through a variety of quality control analyses detailing the robustness and reliability of the measurements. We illustrate the quality of the measurements with a brief exploration of elementary emission line properties of the galaxies in the GAMA sample. We demonstrate the luminosity dependence of the Balmer decrement, consistent with previously published results, and explore further how Balmer decrement varies with galaxy mass and redshift. We also investigate the mass and redshift dependencies of the [N II]/Hα versus [O III]/Hβ spectral diagnostic diagram, commonly used to discriminate between star forming and nuclear activity in galaxies.

  5. In vivo evaluation of the penetration of topically applied drugs into human skin by spectroscopic methods.

    PubMed

    Sennhenn, B; Giese, K; Plamann, K; Harendt, N; Kölmel, K

    1993-01-01

    Spectroscopic techniques are reported on which allow to study in vivo the penetration behaviour of topically applied light-absorbing drugs into human skin. Remittance spectroscopy, a purely optical method, provides a good tool in both, skin adaptation by use of a remote viewing head coupled to the spectrometer via optical fibres, and adequate sensitivity for the detection of small amounts of the applied drugs. The measuring depth in the skin is determined by the wavelength-dependent optical penetration depth, which itself depends on light absorption and light scattering. In the UV-spectral region the optical penetration depth is of the order of the thickness of the stratum corneum (UV-A) or of only a superficial part of it (UV-B, UV-C). Fluorescence spectroscopy, another optical method, offers two kinds of drug detection, a direct one in case of self-fluorescent drugs or an indirect one being based on the light absorption of the drug, which may give rise to a screening of the self-fluorescence of the skin itself or of an applied marker. The measuring depth is comparable to that achieved with remittance spectroscopy. A third method is photothermal spectroscopy which is determined by thermal properties of the skin in addition to optical properties. Photothermal spectroscopy is unique in that it allows depth profiles of drug concentration to be measured non-invasively, as the photothermal measuring depth can be changed by varying the modulation frequency of the intensity-modulated incident light. Results of measurements demonstrating the potentials of these spectroscopic methods are presented.

  6. Vibrational spectroscopic characterization of fluoroquinolones

    NASA Astrophysics Data System (ADS)

    Neugebauer, U.; Szeghalmi, A.; Schmitt, M.; Kiefer, W.; Popp, J.; Holzgrabe, U.

    2005-05-01

    Quinolones are important gyrase inhibitors. Even though they are used as active agents in many antibiotics, the detailed mechanism of action on a molecular level is so far not known. It is of greatest interest to shed light on this drug-target interaction to provide useful information in the fight against growing resistances and obtain new insights for the development of new powerful drugs. To reach this goal, on a first step it is essential to understand the structural characteristics of the drugs and the effects that are caused by the environment in detail. In this work we report on Raman spectroscopical investigations of a variety of gyrase inhibitors (nalidixic acid, oxolinic acid, cinoxacin, flumequine, norfloxacin, ciprofloxacin, lomefloxacin, ofloxacin, enoxacin, sarafloxacin and moxifloxacin) by means of micro-Raman spectroscopy excited with various excitation wavelengths, both in the off-resonance region (532, 633, 830 and 1064 nm) and in the resonance region (resonance Raman spectroscopy at 244, 257 and 275 nm). Furthermore DFT calculations were performed to assign the vibrational modes, as well as for an identification of intramolecular hydrogen bonding motifs. The effect of small changes in the drug environment was studied by adding successively small amounts of water until physiological low concentrations of the drugs in aqueous solution were obtained. At these low concentrations resonance Raman spectroscopy proved to be a useful and sensitive technique. Supplementary information was obtained from IR and UV/vis spectroscopy.

  7. Spectroscopic observations of HZ Herculis. II

    NASA Technical Reports Server (NTRS)

    Bopp, B. W.; Grupsmith, G.; Mcmillan, R. S.; Vanden Bout, P. A.; Wootten, H. A.

    1973-01-01

    Preliminary results from an extensive series of spectroscopic observations of the HZ Her optical counterpart of the eclipsing, pulsating X-ray binary Her X-1. Spectrograms with a dispersion of 30 A/mm reveal a spectral type as late as F5 near minimum in the light curve with the G-band and metallic lines present. Narrow Fe lines show that HZ Her is not a rapid rotator. Low-dispersion (115 A/mm) spectra, obtained with 10-minute time resolution, reveal rapid (10-min) variations in the 4640 N III emission and in the 4471 He I absorbtion features. The H-beta absorption is variable in equivalent width, and shows evidence of being partially filled with emission.

  8. Spectroscopic studies on chemical- and photo-responsive molecular machines and their bio-applications

    NASA Astrophysics Data System (ADS)

    Lau, Yuen Agnes

    2011-07-01

    conventional epi-fluorescence technique and complementing it with spectral acquisition, the course of the intracellular delivery event, from photo-isomeriza tion of azobenzene to PI's eventual intercalation with nuclear DNA is mapped in real-time spectroscopically. Finally, continuous spectroscopic monitoring of PI in vitro also led us to an unexpected, yet interesting observation. Upon prolonged laser exposure, both the absorption and emission maxima of PI exhibit remarkable spectral shifts. The photo-product has successfully been separated from PI using column chromatography. Spectroscopic investigations suggest that the observed large magnitude shift is the result of the N-dealkylation of the butylammonium side chain from PI. Through electron paramagnetic resonance measurement, the formation of a long-lived radical (with increasing intensity over time) is detected during this photo-decomposition process.

  9. Propagating Spectroscopic Effects through WPL Terms when Using a Fast Laser-Based Open-Path CH4 Analyzer

    NASA Astrophysics Data System (ADS)

    Burba, George; McDermitt, Dayle; Anderson, Tyler; Komissarov, Anatoly

    2013-04-01

    Eddy flux is computed using a covariance between fast changes in gas density and vertical wind speed. The measured changes in gas density happen due to gas flux itself, thermal expansion and contraction of the sampled gas, water vapor dilution, and pressure-related expansions and contractions. These are standard processes described by the Ideal Gas Law and by the Law of Partial Pressures, and are often called density effects. The gas flux is usually corrected for such density effects using Webb-Pearman-Leuning terms (WPL). When gas density is measured by laser spectroscopy, there are also spectroscopic effects affecting measured gas density depending on fluctuations in temperature, water vapor and pressure, in addition to the density effects. The spectroscopic effects are related to changes in the shape of the absorption line due to changes in gas temperature, pressure and the presence of water vapor. These effects are specific for each specific absorption line, and the measurement technique. The majority of density effects and spectroscopic effects are reduced or eliminated in the closed-path analyzers, when: (a) intake tube is very long, (b) gas sample is dried, and (c) pressure fluctuations are very small. However, the use of long intake tubes and drying of the air sample also lead to a significant increase in power demand, and to increased uncertainties due to excess attenuation of the fluctuations of the gas in the drier. Not drying the air sample leads to a need for applying a density correction for dilution, and spectroscopic corrections for gas absorption due to fast fluctuations in water vapor pressure. For both of these corrections water vapor should be measured accurately at high-speed inside the closed-path device, which increases measurements costs. In addition, current fast closed-path analyzers based on laser spectroscopy have to operate under significantly reduced pressures, and require powerful pumps and grid power (400-1500 Watts). Power demands

  10. Multimodal Spectroscopic Study of Amyloid Fibril Polymorphism.

    PubMed

    VandenAkker, Corianne C; Schleeger, Michael; Bruinen, Anne L; Deckert-Gaudig, Tanja; Velikov, Krassimir P; Heeren, Ron M A; Deckert, Volker; Bonn, Mischa; Koenderink, Gijsje H

    2016-09-01

    Amyloid fibrils are a large class of self-assembled protein aggregates that are formed from unstructured peptides and unfolded proteins. The fibrils are characterized by a universal β-sheet core stabilized by hydrogen bonds, but the molecular structure of the peptide subunits exposed on the fibril surface is variable. Here we show that multimodal spectroscopy using a range of bulk- and surface-sensitive techniques provides a powerful way to dissect variations in the molecular structure of polymorphic amyloid fibrils. As a model system, we use fibrils formed by the milk protein β-lactoglobulin, whose morphology can be tuned by varying the protein concentration during formation. We investigate the differences in the molecular structure and composition between long, straight fibrils versus short, wormlike fibrils. We show using mass spectrometry that the peptide composition of the two fibril types is similar. The overall molecular structure of the fibrils probed with various bulk-sensitive spectroscopic techniques shows a dominant contribution of the β-sheet core but no difference in structure between straight and wormlike fibrils. However, when probing specifically the surface of the fibrils with nanometer resolution using tip-enhanced Raman spectroscopy (TERS), we find that both fibril types exhibit a heterogeneous surface structure with mainly unordered or α-helical structures and that the surface of long, straight fibrils contains markedly more β-sheet structure than the surface of short, wormlike fibrils. This finding is consistent with previous surface-specific vibrational sum-frequency generation (VSFG) spectroscopic results ( VandenAkker et al. J. Am. Chem. Soc. , 2011 , 133 , 18030 - 18033 , DOI: 10.1021/ja206513r ). In conclusion, only advanced vibrational spectroscopic techniques sensitive to surface structure such as TERS and VSFG are able to reveal the difference in structure that underlies the distinct morphology and rigidity of different amyloid

  11. Spectroscopic Parameters of Lumbar Intervertebral Disc Material

    NASA Astrophysics Data System (ADS)

    Terbetas, G.; Kozlovskaja, A.; Varanius, D.; Graziene, V.; Vaitkus, J.; Vaitkuviene, A.

    2009-06-01

    There are numerous methods of investigating intervertebral disc. Visualization methods are widely used in clinical practice. Histological, imunohistochemical and biochemical methods are more used in scientific research. We propose that a new spectroscopic investigation would be useful in determining intervertebral disc material, especially when no histological specimens are available. Purpose: to determine spectroscopic parameters of intervertebral disc material; to determine emission spectra common for all intervertebral discs; to create a background for further spectroscopic investigation where no histological specimen will be available. Material and Methods: 20 patients, 68 frozen sections of 20 μm thickness from operatively removed intervertebral disc hernia were excited by Nd:YAG microlaser STA-01-TH third harmonic 355 nm light throw 0, 1 mm fiber. Spectrophotometer OceanOptics USB2000 was used for spectra collection. Mathematical analysis of spectra was performed by ORIGIN multiple Gaussian peaks analysis. Results: In each specimen of disc hernia were found distinct maximal spectral peaks of 4 types supporting the histological evaluation of mixture content of the hernia. Fluorescence in the spectral regions 370-700 nm was detected in the disc hernias. The main spectral component was at 494 nm and the contribution of the components with the peak wavelength values at 388 nm, 412 nm and 435±5 nm were varying in the different groups of samples. In comparison to average spectrum of all cases, there are 4 groups of different spectral signatures in the region 400-500 nm in the patient groups, supporting a clinical data on different clinical features of the patients. Discussion and Conclusion: besides the classical open discectomy, new minimally invasive techniques of treating intervertebral disc emerge (PLDD). Intervertebral disc in these techniques is assessed by needle, no histological specimen is taken. Spectroscopic investigation via fiber optics through the

  12. Magnetic-dipolar-mode Fano resonances for microwave spectroscopy of high absorption matter

    NASA Astrophysics Data System (ADS)

    Vaisman, G.; Kamenetskii, E. O.; Shavit, R.

    2015-03-01

    The interaction between high absorption matter and microwave radiated energy is a subject of great importance. In particular, this concerns the microwave spectroscopic characterization of biological liquids. The use of effective testing methods to obtain information about physical properties of different liquids on the molecular level is one of the most important problems in biophysics. However, the standard methods based on microwave resonant techniques are not sufficiently suitable for biological liquids because the resonance peak in a resonator with high-loss liquids is so broad that the material parameters cannot be measured correctly. Although molecular vibrations of biomolecules may have microwave frequencies, it is not thought that such resonant coupling is significant due to their low energy compared with thermal energy and the strongly dampening aqueous environment. This paper presents an innovative microwave sensing technique for different types of lossy materials, including biological liquids. The technique is based on the combination of the microwave perturbation method and the Fano resonance effects observed recently in microwave structures with embedded magnetic-dipolar quantum dots. When the frequency of the magnetic dipolar mode (MDM) resonance is not equal to the cavity resonance frequency, one gets Fano transmission intensity. When the MDM resonance frequency is tuned to the cavity resonance frequency, by a bias magnetic field, one observes a Lorentzian line shape. Use of an extremely narrow Lorentzian peak allows exact probing of the resonant frequency of a cavity loaded by a highly lossy material sample. For different kinds of samples, one has different frequencies of Lorentzian peaks. This presents a picture of precise spectroscopic characterization of high absorption matter in microwaves.

  13. Surface Absorption Polarization Sensors (SAPS), Final Technical Report, Laser Probing of Immobilized SAPS Actuators Component

    SciTech Connect

    Joseph I. Cline

    2010-04-22

    A novel hypothesized detection scheme for the detection of chemical agents was proposed: SAPS ``Surface-Adsorbed Polarization Sensors''. In this technique a thin layer of molecular rotors is adsorbed to a surface. The rotors can be energized by light absorption, but are otherwise locked in position or alternatively rotate slowly. Using polarized light, the adsorbed rotors are turned as an ensemble. Chemical agent (analyte) binding that alters the rotary efficiency would be detected by sensitive polarized absorption techniques. The mechanism of the SAPS detection can be mechanical, chemical, or photochemical: only a change in rotary efficiency is required. To achieve the goal of SAPS detection, new spectroscopic technique, polarized Normal Incidence Cavity Ringdown Spectroscopy (polarized NICRDS), was developed. The technique employs very sensitive and general Cavity Ringdown absorption spectroscopy along with the ability to perform polarized absorption measurements. Polarized absorption offers the ability to measure the angular position of molecular chromophores. In the new experiments a thin layer of SAPS sensors (roughly corresponding to a monolayer coverage on a surface) immobilized in PMMA. The PMMA layer is less than 100~nm thick and is spin-coated onto a flat fused-silica substrate. The new technique was applied to study the photoisomerization-driven rotary motion of a family of SAPS actuators based on a family of substituted dibenzofulvene rotors based upon 9-(2,2,2- triphenylethylidene)fluorene. By varying the substitution to include moieties such as nitro, amino, and cyano the absorption spectrum and the quantum efficiency of photoisomerization can be varied. This SAPS effect was readily detected by polarized NICRDS. The amino substituted SAPS actuator binds H+ to form an ammonium species which was shown to have a much larger quantum efficiency for photoisomerization. A thin layer of immobilized amino actuators were then shown by polarized NICRDS to have a

  14. Mobile Spectroscopic Instrumentation in Archaeometry Research.

    PubMed

    Vandenabeele, Peter; Donais, Mary Kate

    2016-01-01

    Mobile instrumentation is of growing importance to archaeometry research. Equipment is utilized in the field or at museums, thus avoiding transportation or risk of damage to valuable artifacts. Many spectroscopic techniques are nondestructive and micro-destructive in nature, which preserves the cultural heritage objects themselves. This review includes over 160 references pertaining to the use of mobile spectroscopy for archaeometry. Following a discussion of terminology related to mobile instrumental methods, results of a literature survey on their applications for cultural heritage objects is presented. Sections devoted to specific techniques are then provided: Raman spectroscopy, X-ray fluorescence spectrometry, Fourier transform infrared spectroscopy, laser-induced breakdown spectroscopy, and less frequently used techniques. The review closes with a discussion of combined instrumental approaches.

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

    SciTech Connect

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

    2011-12-12

    Lithium lead silicate glasses with composition 30Li{sub 2}O{center_dot}(70-x)PbO{center_dot}xSiO{sub 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{sub 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{sub 2} content changes from 6.0 to 0.4. The observed absorption band around 450-510 cm{sup -1} in IR spectra of these glasses indicates the presence of network forming PbO{sub 4} tetrahedral units in glass structure. The increase in intensity with increasing SiO{sub 2} content (upto x = 30 mol %) suggests superposition of Pb-O and Si-O bond vibrations in absorption band around 450-510 cm{sup -1}. The values of optical basicity in these glasses were found to be dependent directly on PbO/SiO{sub 2} ratio.

  16. UV-visible and (1)H-(15)N NMR spectroscopic studies of colorimetric thiosemicarbazide anion sensors.

    PubMed

    Farrugia, Kristina N; Makuc, Damjan; Podborska, Agnieszka; Szaciłowski, Konrad; Plavec, Janez; Magri, David C

    2015-02-14

    Four model thiosemicarbazide anion chemosensors containing three N-H bonds, substituted with phenyl and/or 4-nitrophenyl units, were synthesised and studied for their anion binding abilities with hydroxide, fluoride, acetate, dihydrogen phosphate and chloride. The anion binding properties were studied in DMSO and 9 : 1 DMSO-H2O by UV-visible absorption and (1)H/(13)C/(15)N NMR spectroscopic techniques and corroborated with DFT studies. Significant changes were observed in the UV-visible absorption spectra with all anions, except for chloride, accompanied by dramatic colour changes visible to the naked eye. These changes were determined to be due to the deprotonation of the central N-H proton and not due to hydrogen bonding based on (1)H/(15)N NMR titration studies with acetate in DMSO-d6-0.5% water. Direct evidence for deprotonation was confirmed by the disappearance of the central thiourea proton and the formation of acetic acid. DFT and charge distribution calculations suggest that for all four compounds the central N-H proton is the most acidic. Hence, the anion chemosensors operate by a deprotonation mechanism of the central N-H proton rather than by hydrogen bonding as is often reported. PMID:25451865

  17. Spectroscopic study on binding of gentisic acid to bovine serum albumin.

    PubMed

    Garzón, Andrés; Bravo, Iván; Carrión-Jiménez, M Rosario; Rubio-Moraga, Ángela; Albaladejo, José

    2015-01-01

    The interaction of (gentisic acid) GA with (bovine serum albumin) BSA has been studied by different spectroscopic techniques. GA is a monoanionic specie at the working pH of 7.4, it was determined by combining UV-Vis absorption spectroscopy and theoretical calculations. A set of fluorescence quenching experiments at different temperatures was carried out employing the native fluorescence of BSA. A Stern-Volmer constant (KSV) of (2.07±0.12)×10(4) mol(-1) L and a binding constant (Ka) of (8.47±4.39)×10(3) were determined at 310 K. The static quenching caused by the BSA-GA complex formation seems to play a significant role in the overall quenching process. A single binding site on BSA for GA was observed. ΔH=-55.6±0.2 kJ mol(-1) and ΔS=-104.3±0.6 J mol(-1) K(-1) were determined in a set of experiments on the dependence of Ka with the temperature. The binding process is, therefore, spontaneous and enthalpy-driven. Van der Waals forces and hydrogen bonds could also play the major role in the binding mode. The secondary structure changes of BSA in the absence and presence of GA were studied by FTIR and UV-Vis absorption spectroscopy.

  18. Spectroscopic Detection of Pathogens

    SciTech Connect

    ALAM,M. KATHLEEN; TIMLIN,JERILYN A.; MARTIN,LAURA E.; HJELLE,DRIAN; LYONS,RICK; GARRISON,KRISTIN

    2000-11-01

    The goal of this LDRD Research project was to provide a preliminary examination of the use of infrared spectroscopy as a tool to detect the changes in cell cultures upon activation by an infectious agent. Due to a late arrival of funding, only 5 months were available to transfer and setup equipment at UTTM,develop cell culture lines, test methods of in-situ activation and collect kinetic data from activated cells. Using attenuated total reflectance (ATR) as a sampling method, live cell cultures were examined prior to and after activation. Spectroscopic data were collected from cells immediately after activation in situ and, in many cases for five successive hours. Additional data were collected from cells activated within a test tube (pre-activated), in both transmission mode as well as in ATR mode. Changes in the infrared data were apparent in the transmission data collected from the pre-activated cells as well in some of the pre-activated ATR data. Changes in the in-situ activated spectral data were only occasionally present due to (1) the limited time cells were studied and (2) incomplete activation. Comparison of preliminary data to infrared bands reported in the literature suggests the primary changes seen are due an increase in ribonucleic acid (RNA) production. This work will be continued as part of a 3 year DARPA grant.

  19. Spectroscopic classification of supernova candidates

    NASA Astrophysics Data System (ADS)

    Hodgkin, S. T.; Hall, A.; Fraser, M.; Campbell, H.; Wyrzykowski, L.; Kostrzewa-Rutkowska, Z.; Pietro, N.

    2014-09-01

    We report the spectroscopic classification of four supernovae at the 2.5m Isaac Newton Telescope on La Palma, using the Intermediate Dispersion Spectrograph and the R300V grating (3500-8000 Ang; ~6 Ang resolution).

  20. Diode laser absorption sensors for gas-dynamic and combustion flows

    NASA Technical Reports Server (NTRS)

    Allen, M. G.

    1998-01-01

    Recent advances in room-temperature, near-IR and visible diode laser sources for tele-communication, high-speed computer networks, and optical data storage applications are enabling a new generation of gas-dynamic and combustion-flow sensors based on laser absorption spectroscopy. In addition to conventional species concentration and density measurements, spectroscopic techniques for temperature, velocity, pressure and mass flux have been demonstrated in laboratory, industrial and technical flows. Combined with fibreoptic distribution networks and ultrasensitive detection strategies, compact and portable sensors are now appearing for a variety of applications. In many cases, the superior spectroscopic quality of the new laser sources compared with earlier cryogenic, mid-IR devices is allowing increased sensitivity of trace species measurements, high-precision spectroscopy of major gas constituents, and stable, autonomous measurement systems. The purpose of this article is to review recent progress in this field and suggest likely directions for future research and development. The various laser-source technologies are briefly reviewed as they relate to sensor applications. Basic theory for laser absorption measurements of gas-dynamic properties is reviewed and special detection strategies for the weak near-IR and visible absorption spectra are described. Typical sensor configurations are described and compared for various application scenarios, ranging from laboratory research to automated field and airborne packages. Recent applications of gas-dynamic sensors for air flows and fluxes of trace atmospheric species are presented. Applications of gas-dynamic and combustion sensors to research and development of high-speed flows aeropropulsion engines, and combustion emissions monitoring are presented in detail, along with emerging flow control systems based on these new sensors. Finally, technology in nonlinear frequency conversion, UV laser materials, room